smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1sc2nc(CN3CCOCC3)nc(N3CC[C@H]4NCCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164391433 718824706 /nfs/dbraw/zinc/82/47/06/718824706.db2.gz VUNPXUHOBIBKQM-UXHICEINSA-N 0 3 451.596 2.758 20 0 JFADHN CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CCNC(=O)C34CNC4)n2)CC1 ZINC001164410919 718878825 /nfs/dbraw/zinc/87/88/25/718878825.db2.gz JREMKCGBQIOCGR-UHFFFAOYSA-N 0 3 468.652 2.930 20 0 JFADHN CN(C)C(=O)CN1CC[C@@]2(CN(c3ccc(CN4CCCC4)cn3)C[C@H]2c2ccccc2)C1=O ZINC001164632985 719143256 /nfs/dbraw/zinc/14/32/56/719143256.db2.gz QSNBPZLTWUHUCE-HOFKKMOUSA-N 0 3 461.610 2.588 20 0 JFADHN CN(C)C(=O)CN1CC[C@]2(CN(c3ccc(CN4CCCC4)cn3)C[C@@H]2c2ccccc2)C1=O ZINC001164632999 719143677 /nfs/dbraw/zinc/14/36/77/719143677.db2.gz QSNBPZLTWUHUCE-YIXXDRMTSA-N 0 3 461.610 2.588 20 0 JFADHN CN(C)C(=O)CN1CC[C@]2(CN(c3ccc(CN(C)C4CC4)cn3)C[C@@H]2c2ccccc2)C1=O ZINC001164635955 719143686 /nfs/dbraw/zinc/14/36/86/719143686.db2.gz XSEVHCNBKTZTAN-YIXXDRMTSA-N 0 3 461.610 2.587 20 0 JFADHN CC(C)N(C)Cc1nn([C@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)c2c1CCNC2 ZINC001164679589 719637106 /nfs/dbraw/zinc/63/71/06/719637106.db2.gz IEEDDJZLSRRWLQ-HSZRJFAPSA-N 0 3 491.015 2.836 20 0 JFADHN CN(C)Cc1nc2scc(-c3ccccc3)c2c(-n2nc(C(=O)N3CCOCC3)c3c2CNC3)n1 ZINC001164815116 720246924 /nfs/dbraw/zinc/24/69/24/720246924.db2.gz ARELEWQTIOOZPC-UHFFFAOYSA-N 0 3 489.605 2.681 20 0 JFADHN Cc1nc(CN2CCN(C)C3(CCN(c4ncccc4CN4CCCC4)CC3)C2=O)cs1 ZINC001164825943 720384373 /nfs/dbraw/zinc/38/43/73/720384373.db2.gz WBWSMINLVZTHAX-UHFFFAOYSA-N 0 3 454.644 2.756 20 0 JFADHN O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCc4ncc(CN5CCCC5)n4CC3)nc21 ZINC001164736793 720578459 /nfs/dbraw/zinc/57/84/59/720578459.db2.gz UMIMKXUETPNTJB-UHFFFAOYSA-N 0 3 477.594 2.523 20 0 JFADHN Clc1nc(Cl)c2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2n1 ZINC001164740062 720656508 /nfs/dbraw/zinc/65/65/08/720656508.db2.gz PLIGXQOEAMXGNL-NXEZZACHSA-N 0 3 453.721 2.512 20 0 JFADHN CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743880 720687016 /nfs/dbraw/zinc/68/70/16/720687016.db2.gz YNUUADSMEHUSIY-HUUCEWRRSA-N 0 3 454.918 2.592 20 0 JFADHN Cc1sc2nc(CN3CCOCC3)nc(-n3nc(C(=O)N4CCC[C@H]4C)c4c3CCNC4)c2c1C ZINC001164856260 720805522 /nfs/dbraw/zinc/80/55/22/720805522.db2.gz ZTUVDZBQQSVRQN-OAHLLOKOSA-N 0 3 495.653 2.596 20 0 JFADHN Cc1sc2nc(CN3CCOCC3)nc(-n3nc(C(=O)N4CCC[C@@H]4C)c4c3CCNC4)c2c1C ZINC001164856257 720805610 /nfs/dbraw/zinc/80/56/10/720805610.db2.gz ZTUVDZBQQSVRQN-HNNXBMFYSA-N 0 3 495.653 2.596 20 0 JFADHN FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741225 720841756 /nfs/dbraw/zinc/84/17/56/720841756.db2.gz DUCLNVFEOASIEP-SOUVJXGZSA-N 0 3 455.966 2.935 20 0 JFADHN FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741225 720841758 /nfs/dbraw/zinc/84/17/58/720841758.db2.gz DUCLNVFEOASIEP-SOUVJXGZSA-N 0 3 455.966 2.935 20 0 JFADHN CCOC(=O)c1c2ccccn2c2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164868362 721045487 /nfs/dbraw/zinc/04/54/87/721045487.db2.gz OFPDMLJYYJSVCY-UXHICEINSA-N 0 3 472.549 2.934 20 0 JFADHN Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001164766440 721084629 /nfs/dbraw/zinc/08/46/29/721084629.db2.gz KHHZGYWSSHVMNN-NHCUHLMSSA-N 0 3 491.621 2.669 20 0 JFADHN CC[C@@H]1C(=O)Nc2cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164865571 721088218 /nfs/dbraw/zinc/08/82/18/721088218.db2.gz NCBZNZSGAXBDEO-MQSCRBSSSA-N 0 3 477.613 2.831 20 0 JFADHN CCOC(Cc1c(Cl)ncnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1)OCC ZINC001164866347 721089071 /nfs/dbraw/zinc/08/90/71/721089071.db2.gz SODBSDSUVWOYOL-OALUTQOASA-N 0 3 461.994 2.946 20 0 JFADHN Cc1cc2c(ncnc2N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)n1S(=O)(=O)c1ccccc1 ZINC001164772706 721094398 /nfs/dbraw/zinc/09/43/98/721094398.db2.gz VWBURWQRYRAFSD-LEWJYISDSA-N 0 3 491.621 2.669 20 0 JFADHN c1cncc(CO[C@@H]2C[C@@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CCN3C2)c1 ZINC001164865370 721107035 /nfs/dbraw/zinc/10/70/35/721107035.db2.gz KLTUOJGNCIRVCI-DHIUTWEWSA-N 0 3 472.597 2.799 20 0 JFADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c4ncn5[C@H]4CCCCO4)C[C@@H]3C2)cn1 ZINC001164774065 721127932 /nfs/dbraw/zinc/12/79/32/721127932.db2.gz ZUODLXPRUWZHHA-FGTMMUONSA-N 0 3 456.982 2.871 20 0 JFADHN CN(C)C(=O)c1cc2cnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)nc2n1C1CCCC1 ZINC001164764916 721134675 /nfs/dbraw/zinc/13/46/75/721134675.db2.gz ILPXPPMRRVBFMX-TZIWHRDSSA-N 0 3 476.629 2.940 20 0 JFADHN c1ccc(N2CCN(c3cc(N4CCN5C[C@@H](OCc6cccnc6)C[C@H]5C4)ncn3)CC2)cc1 ZINC001164875523 721167631 /nfs/dbraw/zinc/16/76/31/721167631.db2.gz LUSLGFPNYPISEO-DQEYMECFSA-N 0 3 471.609 2.678 20 0 JFADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(S(=O)(=O)Nc5cc(F)ccc5F)cn4)C[C@H]3C2)cn1 ZINC001164770097 721217868 /nfs/dbraw/zinc/21/78/68/721217868.db2.gz NAGPVYFMMNLUGV-QZTJIDSGSA-N 0 3 488.564 2.852 20 0 JFADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(S(=O)(=O)Nc5cc(F)ccc5F)cn4)C[C@H]3C2)cn1 ZINC001164770099 721217892 /nfs/dbraw/zinc/21/78/92/721217892.db2.gz NAGPVYFMMNLUGV-ZWKOTPCHSA-N 0 3 488.564 2.852 20 0 JFADHN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)C2)C1 ZINC001164781529 721365647 /nfs/dbraw/zinc/36/56/47/721365647.db2.gz JVKTUECPIAXKLB-AREMUKBSSA-N 0 3 496.660 2.796 20 0 JFADHN COc1cc2nc(C)nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2cc1OC ZINC001164887134 721412495 /nfs/dbraw/zinc/41/24/95/721412495.db2.gz LBQIIASIWTYONG-UQBPGWFLSA-N 0 3 455.603 2.721 20 0 JFADHN COC(=O)C[C@H](c1ccnc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c1)C1CC1 ZINC001164891562 721431877 /nfs/dbraw/zinc/43/18/77/721431877.db2.gz GWJDZSIVYKSXTM-UMFSSWHCSA-N 0 3 456.631 2.904 20 0 JFADHN CN(Cc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)nc1)C1CC1 ZINC001164900192 721495414 /nfs/dbraw/zinc/49/54/14/721495414.db2.gz NDAJCVWISHXLKC-SESVDKBCSA-N 0 3 450.616 2.898 20 0 JFADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CCN3C2)c1 ZINC001164904627 721552507 /nfs/dbraw/zinc/55/25/07/721552507.db2.gz DZJVINFESPGYLA-FPOVZHCZSA-N 0 3 453.566 2.553 20 0 JFADHN CC(C)CCNS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164905311 721555753 /nfs/dbraw/zinc/55/57/53/721555753.db2.gz GPZDICCDHXSRTE-FPOVZHCZSA-N 0 3 462.591 2.887 20 0 JFADHN CCOC(=O)c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1C(=O)OCC ZINC001164907000 721567632 /nfs/dbraw/zinc/56/76/32/721567632.db2.gz LTZCWGWFYGTXCP-HKUYNNGSSA-N 0 3 457.502 2.916 20 0 JFADHN CC(C)(C)C(=O)Nc1ccnc(N2CCN(CCc3ccccn3)CC2)c1CN1CC[C@@H](CO)C1 ZINC001165056568 722015509 /nfs/dbraw/zinc/01/55/09/722015509.db2.gz WJBAISKTNFFEKE-OAQYLSRUSA-N 0 3 480.657 2.640 20 0 JFADHN NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962402 722058842 /nfs/dbraw/zinc/05/88/42/722058842.db2.gz RQBUOEXXUKPJBZ-UHFFFAOYSA-N 0 3 465.932 2.893 20 0 JFADHN CCOC(=O)c1cnc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164977281 722101778 /nfs/dbraw/zinc/10/17/78/722101778.db2.gz FRRQOTDMBAQOOP-AEFFLSMTSA-N 0 3 481.931 2.974 20 0 JFADHN CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983941 722105000 /nfs/dbraw/zinc/10/50/00/722105000.db2.gz RHJUFUFWUZLVCE-IRXDYDNUSA-N 0 3 452.937 2.863 20 0 JFADHN CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983943 722105404 /nfs/dbraw/zinc/10/54/04/722105404.db2.gz RHJUFUFWUZLVCE-SJORKVTESA-N 0 3 452.937 2.863 20 0 JFADHN FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982852 722105538 /nfs/dbraw/zinc/10/55/38/722105538.db2.gz PNCOLPXCWSSEOS-MOPGFXCFSA-N 0 3 494.974 2.634 20 0 JFADHN COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164981896 722127065 /nfs/dbraw/zinc/12/70/65/722127065.db2.gz VKDMSFJGAZIKDA-YJBOKZPZSA-N 0 3 456.934 2.520 20 0 JFADHN CC(=O)Oc1cc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2cc1OC(C)=O ZINC001164981150 722132647 /nfs/dbraw/zinc/13/26/47/722132647.db2.gz ORFVQPLJKBPFJL-CPJSRVTESA-N 0 3 491.548 2.603 20 0 JFADHN c1ccc(N2CCN(c3cc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@H]5C4)ncn3)CC2)cc1 ZINC001164985412 722149627 /nfs/dbraw/zinc/14/96/27/722149627.db2.gz ZJBUFTOCLZIJCC-RSXGOPAZSA-N 0 3 485.636 2.926 20 0 JFADHN Cc1nc(S(=O)(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(Br)n1C ZINC000380852287 1059490458 /nfs/dbraw/zinc/49/04/58/1059490458.db2.gz CGHPJYLBEMVEBD-SJORKVTESA-N 0 3 453.406 2.634 20 0 JFADHN CN1CCN(Cc2ccc(CNC(=O)N[C@H]3CCCN(c4ccccc4F)C3=O)cc2)CC1 ZINC001264017527 1059505754 /nfs/dbraw/zinc/50/57/54/1059505754.db2.gz NFSXHTBUQLAYTR-QFIPXVFZSA-N 0 3 453.562 2.568 20 0 JFADHN CO[C@]1(C)CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001299742392 1059580317 /nfs/dbraw/zinc/58/03/17/1059580317.db2.gz DKGPJUOMLPVDEE-JXHRLWIKSA-N 0 3 478.663 2.505 20 0 JFADHN CN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001265828750 1059930624 /nfs/dbraw/zinc/93/06/24/1059930624.db2.gz SSBHSABQQKSOIJ-NRFANRHFSA-N 0 3 458.628 2.936 20 0 JFADHN CC(=O)N1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001286867030 1061251371 /nfs/dbraw/zinc/25/13/71/1061251371.db2.gz VCNUTDGUNNDNAM-FQEVSTJZSA-N 0 3 470.647 2.563 20 0 JFADHN CC(=O)N1CCCN(c2nnc(Cc3cccnc3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001286867810 1061254683 /nfs/dbraw/zinc/25/46/83/1061254683.db2.gz FWOIRHYRICQPRR-HSZRJFAPSA-N 0 3 465.577 2.765 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(Cc4cccnc4)n3CCOCCC(C)C)C[C@H]2C)CC1 ZINC001286868902 1061259024 /nfs/dbraw/zinc/25/90/24/1061259024.db2.gz CHXOWLDTMVOEPF-RCZVLFRGSA-N 0 3 497.688 2.706 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cnccn4)n3CCCC(C)C)C[C@H]2C)CC1 ZINC001286870242 1061264407 /nfs/dbraw/zinc/26/44/07/1061264407.db2.gz IIXXTLLSSLMFLA-DENIHFKCSA-N 0 3 454.623 2.550 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCCC3CCCC3)C[C@H]2C)CC1 ZINC001286871721 1061274924 /nfs/dbraw/zinc/27/49/24/1061274924.db2.gz PHVKVIHIPRBNJP-NFBKMPQASA-N 0 3 487.693 2.766 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3CCOc3ccccc3Cl)C[C@H]2C)CC1 ZINC001286872359 1061278145 /nfs/dbraw/zinc/27/81/45/1061278145.db2.gz UQCPGPWYUJLWMP-UTKZUKDTSA-N 0 3 461.010 2.698 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[C@@H]3CCOC3)C[C@H]2C)CC1 ZINC001286872804 1061281770 /nfs/dbraw/zinc/28/17/70/1061281770.db2.gz YJPMGICZMGHKCR-CEMLEFRQSA-N 0 3 460.667 2.672 20 0 JFADHN Cc1ccc(CNC(=O)C2CCN(c3nnc(C(=O)NC(C)C)n3CCN3CCC[C@@H]3C)CC2)cc1 ZINC001289700603 1061312772 /nfs/dbraw/zinc/31/27/72/1061312772.db2.gz VWGCFOOFDYROOJ-NRFANRHFSA-N 0 3 495.672 2.742 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@@H]2CCCN2CCCO)cc1C ZINC001289725691 1061333376 /nfs/dbraw/zinc/33/33/76/1061333376.db2.gz IIXJEEXBMQNPJA-GMAHTHKFSA-N 0 3 484.645 2.857 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCN2CCC[C@@H](C)C2)cc1C ZINC001289737413 1061349862 /nfs/dbraw/zinc/34/98/62/1061349862.db2.gz FCJBDIRYUYWTTK-XLIONFOSSA-N 0 3 467.618 2.581 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H]2N(C)CCCC2(C)C)cc1C ZINC001289740747 1061354992 /nfs/dbraw/zinc/35/49/92/1061354992.db2.gz PEZMXAWGYSCVRW-CTNGQTDRSA-N 0 3 481.645 2.935 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCN2CCCC(C)(C)C2)cc1C ZINC001289740778 1061355517 /nfs/dbraw/zinc/35/55/17/1061355517.db2.gz PXDVMXIYXNQBKD-FQEVSTJZSA-N 0 3 481.645 2.936 20 0 JFADHN CC(=O)Nc1ccc(Cn2c(N3CCN(CC4CCOCC4)CC3)nnc2C(C)(C)C)cn1 ZINC001286899892 1061390951 /nfs/dbraw/zinc/39/09/51/1061390951.db2.gz YBZQPQRIYDTNDM-UHFFFAOYSA-N 0 3 455.607 2.526 20 0 JFADHN Cc1ccc(OCc2nnc(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)n2CC(=O)NC(C)C)cc1C ZINC001289805239 1061441950 /nfs/dbraw/zinc/44/19/50/1061441950.db2.gz IYALRYSEPSFJRG-HSZRJFAPSA-N 0 3 497.688 2.603 20 0 JFADHN Cc1ccc(OCc2nnc(N3CCC(CN4CCOCC4)CC3)n2CCC(C)(C)O)cc1 ZINC001289805932 1061444688 /nfs/dbraw/zinc/44/46/88/1061444688.db2.gz UZXUAQJAYWXRSY-UHFFFAOYSA-N 0 3 457.619 2.875 20 0 JFADHN Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C(C)C)N2CCCC2)cc1 ZINC001289809199 1061453549 /nfs/dbraw/zinc/45/35/49/1061453549.db2.gz OJSHWMHJQRYXHU-YADHBBJMSA-N 0 3 475.659 2.909 20 0 JFADHN Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C)CN2CCCC2)cc1C ZINC001289810607 1061457025 /nfs/dbraw/zinc/45/70/25/1061457025.db2.gz VOJAYAQPPKARND-PGRDOPGGSA-N 0 3 475.659 2.829 20 0 JFADHN CC(=O)N[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001286914757 1061486497 /nfs/dbraw/zinc/48/64/97/1061486497.db2.gz ZGFFWWUJLKADGS-GOTSBHOMSA-N 0 3 482.608 2.687 20 0 JFADHN CC(=O)NC[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001286926846 1061541765 /nfs/dbraw/zinc/54/17/65/1061541765.db2.gz HJNZPSYDZMRYLC-ISKFKSNPSA-N 0 3 461.614 2.919 20 0 JFADHN CC(=O)NC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001286928089 1061546840 /nfs/dbraw/zinc/54/68/40/1061546840.db2.gz KTEVNGNVVAVXAT-URXFXBBRSA-N 0 3 496.635 2.934 20 0 JFADHN Cc1cccc(C(=O)NCCn2c(CC(C)C)nnc2N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c1 ZINC001289890996 1061577182 /nfs/dbraw/zinc/57/71/82/1061577182.db2.gz ZNAYBQIRMSDCRR-XMMPIXPASA-N 0 3 481.689 2.820 20 0 JFADHN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC001294100816 1061581057 /nfs/dbraw/zinc/58/10/57/1061581057.db2.gz FKBGURPMFYQKBQ-XMMPIXPASA-N 0 3 452.530 2.950 20 0 JFADHN CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1cnn(C)c1 ZINC001294100994 1061581851 /nfs/dbraw/zinc/58/18/51/1061581851.db2.gz MKGZIUBHCMJBGP-OAQYLSRUSA-N 0 3 457.575 2.924 20 0 JFADHN CC(=O)c1cccc(OCC(=O)N2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)c1 ZINC001294102810 1061583122 /nfs/dbraw/zinc/58/31/22/1061583122.db2.gz BBFMIAFRKQOJDH-UHFFFAOYSA-N 0 3 451.567 2.755 20 0 JFADHN Cc1cccc(C)c1NC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)CC1 ZINC001289900321 1061585608 /nfs/dbraw/zinc/58/56/08/1061585608.db2.gz CCEGTECGMJNRAH-UHFFFAOYSA-N 0 3 450.591 2.712 20 0 JFADHN CN(CCNC(=O)C1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC001294112335 1061594594 /nfs/dbraw/zinc/59/45/94/1061594594.db2.gz UGMAVZVPIWEACK-FGZHOGPDSA-N 0 3 457.615 2.841 20 0 JFADHN CCCCCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1)C(C)C ZINC001294115809 1061597443 /nfs/dbraw/zinc/59/74/43/1061597443.db2.gz LDEGUIRSCCBCGP-HXUWFJFHSA-N 0 3 468.712 2.611 20 0 JFADHN Cc1cccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2C[C@@H](C(C)C)N2CCCC2)n1 ZINC001289938357 1061629174 /nfs/dbraw/zinc/62/91/74/1061629174.db2.gz OVEVFJJBFPGNIK-NRFANRHFSA-N 0 3 460.648 2.782 20 0 JFADHN CC(=O)NC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCCN2CCc3ccccc3C2)CCO1 ZINC001286948722 1061662820 /nfs/dbraw/zinc/66/28/20/1061662820.db2.gz VKXVXCCMTQRRSZ-QHCPKHFHSA-N 0 3 468.646 2.656 20 0 JFADHN CCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001294195302 1061702924 /nfs/dbraw/zinc/70/29/24/1061702924.db2.gz AUDKHHPLWRNASX-SIKLNZKXSA-N 0 3 470.618 2.970 20 0 JFADHN Cc1cccc(-c2nnc(N3CCN(C4CCOCC4)CC3)n2CCOCC(F)(F)C(F)F)n1 ZINC001289983334 1061705598 /nfs/dbraw/zinc/70/55/98/1061705598.db2.gz MZVHCCWIPWDHCQ-UHFFFAOYSA-N 0 3 486.514 2.867 20 0 JFADHN Cc1cccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2CCCO)c1 ZINC001289997488 1061721090 /nfs/dbraw/zinc/72/10/90/1061721090.db2.gz FVVOTPNCNLRBLL-FCHUYYIVSA-N 0 3 454.619 2.913 20 0 JFADHN Cc1cccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCN(C(C)C)C(C)C)c1 ZINC001290047751 1061767879 /nfs/dbraw/zinc/76/78/79/1061767879.db2.gz UFVSQIJLSAWQFX-HXUWFJFHSA-N 0 3 463.648 2.908 20 0 JFADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C1CCCCC1)N(C)C ZINC001286976578 1061784916 /nfs/dbraw/zinc/78/49/16/1061784916.db2.gz PCLGPHISMQUQIR-JYRKZWEQSA-N 0 3 469.696 2.940 20 0 JFADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1C[C@H](C1CCCCC1)N(C)C ZINC001286976590 1061785106 /nfs/dbraw/zinc/78/51/06/1061785106.db2.gz PCLGPHISMQUQIR-YXYSEUPNSA-N 0 3 469.696 2.940 20 0 JFADHN CCCCn1cc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(C)n1 ZINC001294303711 1061790732 /nfs/dbraw/zinc/79/07/32/1061790732.db2.gz FMJADWMTUHYQRK-QFIPXVFZSA-N 0 3 470.666 2.573 20 0 JFADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)CN(C)C ZINC001286977664 1061791368 /nfs/dbraw/zinc/79/13/68/1061791368.db2.gz SHFGQLPJRLXFOG-MBOZVWFJSA-N 0 3 479.647 2.636 20 0 JFADHN CCCCN1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001294309611 1061799819 /nfs/dbraw/zinc/79/98/19/1061799819.db2.gz CBEQXKWVKIALHN-MOPGFXCFSA-N 0 3 450.653 2.808 20 0 JFADHN CCCCN1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001294309614 1061800189 /nfs/dbraw/zinc/80/01/89/1061800189.db2.gz CBEQXKWVKIALHN-RTBURBONSA-N 0 3 450.653 2.808 20 0 JFADHN Cc1cccc(OCc2nnc(N3CCOC(C)(C)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC001290078021 1061807085 /nfs/dbraw/zinc/80/70/85/1061807085.db2.gz PQJXZIXYJFVROL-QFIPXVFZSA-N 0 3 484.645 2.723 20 0 JFADHN Cc1cccc(OCc2nnc(N3CCOC(C)(C)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001290078020 1061807341 /nfs/dbraw/zinc/80/73/41/1061807341.db2.gz PQJXZIXYJFVROL-JOCHJYFZSA-N 0 3 484.645 2.723 20 0 JFADHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@H](C)C2)C1 ZINC001294315673 1061808139 /nfs/dbraw/zinc/80/81/39/1061808139.db2.gz COUPAPPLOSJJAL-FDFHNCONSA-N 0 3 487.693 2.767 20 0 JFADHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCC2)C1 ZINC001294318749 1061819435 /nfs/dbraw/zinc/81/94/35/1061819435.db2.gz WOLVERNVMQHRCW-VQTJNVASSA-N 0 3 482.633 2.542 20 0 JFADHN Cc1ccccc1-c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@@H](c1cccs1)N(C)C ZINC001290106890 1061834632 /nfs/dbraw/zinc/83/46/32/1061834632.db2.gz GETGLKSTSZEPJV-SFHVURJKSA-N 0 3 462.645 2.603 20 0 JFADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCCCC1 ZINC001286983458 1061835718 /nfs/dbraw/zinc/83/57/18/1061835718.db2.gz VZYRYURCUKEWNM-RTBURBONSA-N 0 3 491.658 2.850 20 0 JFADHN CCCCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCN2C2CC2)CC1 ZINC001294348883 1061911941 /nfs/dbraw/zinc/91/19/41/1061911941.db2.gz ISXUYXGRISCGKT-NRFANRHFSA-N 0 3 473.666 2.566 20 0 JFADHN Cc1ccccc1Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001290176442 1061924200 /nfs/dbraw/zinc/92/42/00/1061924200.db2.gz KOUUGELZFYUQJS-HXUWFJFHSA-N 0 3 488.683 2.623 20 0 JFADHN CCCCOc1ncccc1Cn1c(C)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001294375743 1061948973 /nfs/dbraw/zinc/94/89/73/1061948973.db2.gz BPYHCBNXBFLWEP-AUSIDOKSSA-N 0 3 469.634 2.588 20 0 JFADHN CCCCOc1ncccc1Cn1c(C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001294375746 1061949662 /nfs/dbraw/zinc/94/96/62/1061949662.db2.gz BPYHCBNXBFLWEP-XXBNENTESA-N 0 3 469.634 2.588 20 0 JFADHN CC(C)(C)Cc1nnc(N2CCC(CN3CCOCC3)CC2)n1CCS(=O)(=O)C(C)(C)C ZINC001287023795 1061965570 /nfs/dbraw/zinc/96/55/70/1061965570.db2.gz HFMPBQYMSVOEOJ-UHFFFAOYSA-N 0 3 469.696 2.629 20 0 JFADHN CC1=CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2cccs2)N2CCCC2)CC1 ZINC001290250109 1061988802 /nfs/dbraw/zinc/98/88/02/1061988802.db2.gz DZITWEXRODCHSC-QZTJIDSGSA-N 0 3 464.661 2.943 20 0 JFADHN CC1=CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2cccs2)N2CCCC2)CC1 ZINC001290250111 1061988852 /nfs/dbraw/zinc/98/88/52/1061988852.db2.gz DZITWEXRODCHSC-ZWKOTPCHSA-N 0 3 464.661 2.943 20 0 JFADHN CC(C)(C)Cc1nnc(N2CCN(C3CCOCC3)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001287034751 1061998866 /nfs/dbraw/zinc/99/88/66/1061998866.db2.gz VKMQCPKXTOIOFS-FQEVSTJZSA-N 0 3 484.636 2.524 20 0 JFADHN Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3CCCN3CCC[C@H]3C(=O)N(C)C)CC2)c1 ZINC001290270680 1061999742 /nfs/dbraw/zinc/99/97/42/1061999742.db2.gz BDRQSVZWRHJOBG-QFIPXVFZSA-N 0 3 484.693 2.940 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCOC2)CC1 ZINC001287042506 1062013025 /nfs/dbraw/zinc/01/30/25/1062013025.db2.gz BGPOWJJCQKNZAW-QFIPXVFZSA-N 0 3 451.518 2.618 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC001287042855 1062013225 /nfs/dbraw/zinc/01/32/25/1062013225.db2.gz JBAKFBWCVJATNU-UHFFFAOYSA-N 0 3 468.627 2.854 20 0 JFADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001287043465 1062015265 /nfs/dbraw/zinc/01/52/65/1062015265.db2.gz DQDOLJROFOXUAQ-HXUWFJFHSA-N 0 3 475.659 2.739 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCNS(C)(=O)=O)CC1 ZINC001287043910 1062016889 /nfs/dbraw/zinc/01/68/89/1062016889.db2.gz DGCMMCUETQSLFZ-UHFFFAOYSA-N 0 3 487.095 2.694 20 0 JFADHN CCCN(CC)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001294521516 1062057280 /nfs/dbraw/zinc/05/72/80/1062057280.db2.gz CRBVLWJTUHRHSA-HSZRJFAPSA-N 0 3 463.623 2.755 20 0 JFADHN CCCN(CC)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294523037 1062059391 /nfs/dbraw/zinc/05/93/91/1062059391.db2.gz QDMQOWKMUGBWFF-LJQANCHMSA-N 0 3 454.040 2.878 20 0 JFADHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001294523410 1062060109 /nfs/dbraw/zinc/06/01/09/1062060109.db2.gz YZKJLWJKVLCXER-IBGZPJMESA-N 0 3 467.680 2.840 20 0 JFADHN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@](C)(O)C1CC1 ZINC001287056396 1062076632 /nfs/dbraw/zinc/07/66/32/1062076632.db2.gz GTVOGKCKAUVICB-UQBPGWFLSA-N 0 3 492.665 2.668 20 0 JFADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001290372390 1062076649 /nfs/dbraw/zinc/07/66/49/1062076649.db2.gz MHEPTDZWSXKZBE-IAGOWNOFSA-N 0 3 454.017 2.945 20 0 JFADHN C[C@H](C(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C)N1CCC(Cc2ccccc2)CC1 ZINC001294571984 1062085618 /nfs/dbraw/zinc/08/56/18/1062085618.db2.gz GHEPNEIJWTYQDH-NFBKMPQASA-N 0 3 458.647 2.997 20 0 JFADHN Cc1nc(Cc2nnc(N(C)CC3CCOCC3)n2CCN2CCN(C)C(C)(C)C2)cs1 ZINC001290398307 1062099531 /nfs/dbraw/zinc/09/95/31/1062099531.db2.gz IPSUUKIFHZHXNV-UHFFFAOYSA-N 0 3 461.680 2.523 20 0 JFADHN CCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294616699 1062126122 /nfs/dbraw/zinc/12/61/22/1062126122.db2.gz KQOCPKNIZDJWJR-JTSKRJEESA-N 0 3 460.573 2.936 20 0 JFADHN Cc1nc(Cc2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2CCOCC(F)F)cs1 ZINC001290417815 1062147380 /nfs/dbraw/zinc/14/73/80/1062147380.db2.gz TXHJJBBVRHOOCI-IBGZPJMESA-N 0 3 483.633 2.520 20 0 JFADHN Cc1nc(Cc2nnc(N3CCN(CC(C)C)CC3)n2CCN2CCOCC2(C)C)cs1 ZINC001290430640 1062187738 /nfs/dbraw/zinc/18/77/38/1062187738.db2.gz BJRRQXMJYDTLCE-UHFFFAOYSA-N 0 3 461.680 2.523 20 0 JFADHN CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001294658411 1062204566 /nfs/dbraw/zinc/20/45/66/1062204566.db2.gz PNLYHGDZDBGVFY-ZIFCJYIRSA-N 0 3 455.694 2.632 20 0 JFADHN CCCN1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294661004 1062210798 /nfs/dbraw/zinc/21/07/98/1062210798.db2.gz HYNDZBPVBGOQNG-PZJWPPBQSA-N 0 3 463.623 2.753 20 0 JFADHN CCCN1CC[C@@H](Cn2c(COc3ccccc3OC)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294667400 1062222124 /nfs/dbraw/zinc/22/21/24/1062222124.db2.gz ZPGDKGGYULRHOG-WOJBJXKFSA-N 0 3 491.658 2.611 20 0 JFADHN CCCN1CCC(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001294675012 1062235085 /nfs/dbraw/zinc/23/50/85/1062235085.db2.gz DJSGGMNGXZMRAG-GJBXTBEHSA-N 0 3 481.707 2.931 20 0 JFADHN Cc1ncc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](C)N2CCCCC2)s1 ZINC001290481165 1062271051 /nfs/dbraw/zinc/27/10/51/1062271051.db2.gz RTADBDQMPLWOAJ-WMZOPIPTSA-N 0 3 466.677 2.846 20 0 JFADHN CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCCOC3)n2CCN(C)Cc2ccccc2)CC1 ZINC001287110950 1062326016 /nfs/dbraw/zinc/32/60/16/1062326016.db2.gz XUHQLVYYWKZTTF-QHCPKHFHSA-N 0 3 468.646 2.999 20 0 JFADHN CC(C)C(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 ZINC001287120994 1062365743 /nfs/dbraw/zinc/36/57/43/1062365743.db2.gz TYFISNHDLIQBEI-FQEVSTJZSA-N 0 3 496.660 2.787 20 0 JFADHN CCCn1nc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@H](C)OC)c2ccccc2c1=O ZINC001294770508 1062368840 /nfs/dbraw/zinc/36/88/40/1062368840.db2.gz GGSKWRKDKZBYOW-IBGZPJMESA-N 0 3 467.618 2.878 20 0 JFADHN CCCNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)c1 ZINC001294771169 1062370380 /nfs/dbraw/zinc/37/03/80/1062370380.db2.gz NRWVMKIRYYFLQX-UXHICEINSA-N 0 3 481.645 2.621 20 0 JFADHN CCCNC(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CCN(C3CCOCC3)CC2)c1 ZINC001294775579 1062374630 /nfs/dbraw/zinc/37/46/30/1062374630.db2.gz CVTOBOHRFYNDDR-UHFFFAOYSA-N 0 3 468.646 2.966 20 0 JFADHN CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001294788224 1062393802 /nfs/dbraw/zinc/39/38/02/1062393802.db2.gz DIGVCCTUOOAMNV-TZIWHRDSSA-N 0 3 471.650 2.615 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CC2(N(C)C)CCCCC2)n1 ZINC001290586679 1062396791 /nfs/dbraw/zinc/39/67/91/1062396791.db2.gz OSDSAUWBCPMBTN-PMACEKPBSA-N 0 3 479.695 2.662 20 0 JFADHN CC(C)C(=O)NCCN(C)c1nnc(-c2cnccn2)n1C[C@H](c1ccco1)N1CCCCC1 ZINC001287132436 1062433611 /nfs/dbraw/zinc/43/36/11/1062433611.db2.gz HZRWUAXCMMEZDA-HXUWFJFHSA-N 0 3 466.590 2.764 20 0 JFADHN CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001294797545 1062433688 /nfs/dbraw/zinc/43/36/88/1062433688.db2.gz UESLHIAJHJYGEY-DENIHFKCSA-N 0 3 480.592 2.920 20 0 JFADHN CCCNC(=O)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001294800021 1062440814 /nfs/dbraw/zinc/44/08/14/1062440814.db2.gz JMLXZRXJROXLJV-FQEVSTJZSA-N 0 3 461.699 2.635 20 0 JFADHN CC(C)C(=O)NCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001287136703 1062471588 /nfs/dbraw/zinc/47/15/88/1062471588.db2.gz GDJUEZSWUUTVKX-UHFFFAOYSA-N 0 3 475.037 2.919 20 0 JFADHN CC(C)C(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001287138263 1062483014 /nfs/dbraw/zinc/48/30/14/1062483014.db2.gz FBFZXMIUWPUXFJ-CEMLEFRQSA-N 0 3 490.693 2.658 20 0 JFADHN CC(C)C(=O)NCCn1c(CCc2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001287141414 1062500642 /nfs/dbraw/zinc/50/06/42/1062500642.db2.gz XJAJKOBFMLSPLW-NRFANRHFSA-N 0 3 468.646 2.525 20 0 JFADHN CC(C)[C@@](C)(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001287144426 1062508159 /nfs/dbraw/zinc/50/81/59/1062508159.db2.gz GUQDGNMQIZNAPC-DEOSSOPVSA-N 0 3 475.037 2.750 20 0 JFADHN CC(C)[C@](C)(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001287144427 1062508998 /nfs/dbraw/zinc/50/89/98/1062508998.db2.gz GUQDGNMQIZNAPC-XMMPIXPASA-N 0 3 475.037 2.750 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCCC[C@@H](C)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)n1 ZINC001290640132 1062526011 /nfs/dbraw/zinc/52/60/11/1062526011.db2.gz RSQCVBZQMXHNJW-KNQAVFIVSA-N 0 3 470.666 2.709 20 0 JFADHN CC(C)[C@@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001287152277 1062525978 /nfs/dbraw/zinc/52/59/78/1062525978.db2.gz YHHPPETYVGQAIW-MHZLTWQESA-N 0 3 482.673 2.605 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCN(C4CCOCC4)CC3)n2C[C@@](C)(O)CCC(C)C)n1 ZINC001290646598 1062538010 /nfs/dbraw/zinc/53/80/10/1062538010.db2.gz RCQSTUNWASQMDC-VWLOTQADSA-N 0 3 473.666 2.628 20 0 JFADHN CC(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCOC1)N1CCCC1 ZINC001287156346 1062542874 /nfs/dbraw/zinc/54/28/74/1062542874.db2.gz INVNZXLJVZWUNL-DENIHFKCSA-N 0 3 475.659 2.942 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CCNC(=O)C(C)(C)C)n1 ZINC001290648299 1062544263 /nfs/dbraw/zinc/54/42/63/1062544263.db2.gz RXTFVQOAKKYDSQ-UHFFFAOYSA-N 0 3 472.682 2.860 20 0 JFADHN CC(C)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001287159516 1062556360 /nfs/dbraw/zinc/55/63/60/1062556360.db2.gz BYPOPMMIPCBIOS-CTNGQTDRSA-N 0 3 463.623 2.752 20 0 JFADHN CCCNC(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C2CCCC2)CC1 ZINC001294858853 1062560675 /nfs/dbraw/zinc/56/06/75/1062560675.db2.gz FPMAKFQFTFNYOE-UHFFFAOYSA-N 0 3 454.619 2.858 20 0 JFADHN Cc1cc(C)n(CCCn2c(C(=O)N3CCCC3)nnc2N2CCN(CCC(C)(C)C)CC2)n1 ZINC001290661085 1062568980 /nfs/dbraw/zinc/56/89/80/1062568980.db2.gz SUTQHSHRLVESBX-UHFFFAOYSA-N 0 3 470.666 2.976 20 0 JFADHN CC(C)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001287163276 1062569144 /nfs/dbraw/zinc/56/91/44/1062569144.db2.gz WAVYVSZMUSTPDF-LEWJYISDSA-N 0 3 463.623 2.752 20 0 JFADHN CC(C)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CCCN1CCN(c2ccccc2)CC1 ZINC001287175131 1062598825 /nfs/dbraw/zinc/59/88/25/1062598825.db2.gz XAOCJLBJVDRSSU-UHFFFAOYSA-N 0 3 455.651 2.965 20 0 JFADHN CCCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001294890415 1062618720 /nfs/dbraw/zinc/61/87/20/1062618720.db2.gz GDOVBDVZFNHKNG-UHFFFAOYSA-N 0 3 461.010 2.673 20 0 JFADHN CC(C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001287196981 1062629433 /nfs/dbraw/zinc/62/94/33/1062629433.db2.gz PIUWSPDRIZRMJJ-UXHICEINSA-N 0 3 471.581 2.610 20 0 JFADHN CC(C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1Cc1ccc(C[S@](C)=O)cc1 ZINC001287200901 1062640637 /nfs/dbraw/zinc/64/06/37/1062640637.db2.gz JSGSKFBLSTWIIM-WYOOIXGGSA-N 0 3 472.703 2.933 20 0 JFADHN Cc1nnc(N(C)Cc2ccc(Br)s2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001290717312 1062649110 /nfs/dbraw/zinc/64/91/10/1062649110.db2.gz WMXIHKJPMFKBQV-MRXNPFEDSA-N 0 3 469.453 2.990 20 0 JFADHN CCCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001294912794 1062668102 /nfs/dbraw/zinc/66/81/02/1062668102.db2.gz MSHCYQMINAQYFX-UHFFFAOYSA-N 0 3 484.645 2.549 20 0 JFADHN CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001287214129 1062675120 /nfs/dbraw/zinc/67/51/20/1062675120.db2.gz IWBKJRRFTGTABH-LJQANCHMSA-N 0 3 479.551 2.801 20 0 JFADHN CC(C)N(C)CCCNC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001290782265 1062692986 /nfs/dbraw/zinc/69/29/86/1062692986.db2.gz OOVPVIWAKRRGHC-MJGOQNOKSA-N 0 3 459.450 2.889 20 0 JFADHN CC(C)N(C)CCCNC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC001290782266 1062693026 /nfs/dbraw/zinc/69/30/26/1062693026.db2.gz OOVPVIWAKRRGHC-PKOBYXMFSA-N 0 3 459.450 2.889 20 0 JFADHN CC(C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCNC(=O)c1ccccc1F ZINC001287219090 1062701127 /nfs/dbraw/zinc/70/11/27/1062701127.db2.gz FJENYTIQEJPLBI-GOSISDBHSA-N 0 3 458.582 2.660 20 0 JFADHN Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001290797573 1062702438 /nfs/dbraw/zinc/70/24/38/1062702438.db2.gz JFKXZBASAIQERM-HXUWFJFHSA-N 0 3 481.567 2.770 20 0 JFADHN CC(C)c1nnc(N2CCN(c3ccccc3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001287221445 1062706495 /nfs/dbraw/zinc/70/64/95/1062706495.db2.gz UOHKHQPYEWVCNZ-JOCHJYFZSA-N 0 3 453.635 2.671 20 0 JFADHN CC(C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001287222734 1062709580 /nfs/dbraw/zinc/70/95/80/1062709580.db2.gz IOPKYTAROIAKEI-HXUWFJFHSA-N 0 3 455.607 2.702 20 0 JFADHN CC(C)c1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@H](c1ccco1)N(C)C ZINC001287223641 1062710107 /nfs/dbraw/zinc/71/01/07/1062710107.db2.gz OTOGLHAFFPXQQG-FGZHOGPDSA-N 0 3 473.666 2.529 20 0 JFADHN CN1CCN(CCCNC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)[C@H](c2ccccc2)C1 ZINC001290821175 1062716076 /nfs/dbraw/zinc/71/60/76/1062716076.db2.gz UGHCLZUESGFDCZ-DEOSSOPVSA-N 0 3 455.624 2.979 20 0 JFADHN CCCOc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@H](C)N2CCN(CC)CC2)cc1OC ZINC001294941197 1062727288 /nfs/dbraw/zinc/72/72/88/1062727288.db2.gz XBVZRNMBUMXOPP-LEWJYISDSA-N 0 3 486.661 2.994 20 0 JFADHN CCCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCC3)CC2)cc1 ZINC001294948628 1062734634 /nfs/dbraw/zinc/73/46/34/1062734634.db2.gz DJCCOQRYJJWQRW-LJQANCHMSA-N 0 3 490.674 2.790 20 0 JFADHN CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC001290859068 1062743423 /nfs/dbraw/zinc/74/34/23/1062743423.db2.gz BZGQYVODIKXOBB-XMMPIXPASA-N 0 3 452.599 2.798 20 0 JFADHN CCN1CCN(Cc2ccccc2CNC(=O)c2cc(N3CCNC3=O)ccc2Cl)CC1 ZINC001290859020 1062743551 /nfs/dbraw/zinc/74/35/51/1062743551.db2.gz APHJTBFAWAYGBO-UHFFFAOYSA-N 0 3 455.990 2.937 20 0 JFADHN CCN1CCN(Cc2ccccc2CNC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)CC1 ZINC001290859994 1062744351 /nfs/dbraw/zinc/74/43/51/1062744351.db2.gz NHYHLFLPWORSIA-UHFFFAOYSA-N 0 3 454.562 2.990 20 0 JFADHN CCN1CCN(Cc2ccccc2CNC(=O)[C@H](c2ccccc2F)N2CCOCC2)CC1 ZINC001290860207 1062744835 /nfs/dbraw/zinc/74/48/35/1062744835.db2.gz XZXFSSZBFIZYRE-VWLOTQADSA-N 0 3 454.590 2.653 20 0 JFADHN CCN1CCN(Cc2ccccc2CNC(=O)c2cc(-n3cc(C)cn3)c(F)cc2N)CC1 ZINC001290862589 1062746429 /nfs/dbraw/zinc/74/64/29/1062746429.db2.gz RAOBNSZPSDEGRH-UHFFFAOYSA-N 0 3 450.562 2.970 20 0 JFADHN Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001290869978 1062754464 /nfs/dbraw/zinc/75/44/64/1062754464.db2.gz NVMPMQOYNIDXIC-IEXUWNMDSA-N 0 3 485.652 2.845 20 0 JFADHN CCCOc1cccc(CCn2c(C)nnc2N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)c1 ZINC001294972880 1062755334 /nfs/dbraw/zinc/75/53/34/1062755334.db2.gz OJQBKKXTEZZHKX-CJFMBICVSA-N 0 3 468.646 2.997 20 0 JFADHN CCN1CCN(CCCNC(=O)[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001290870452 1062755966 /nfs/dbraw/zinc/75/59/66/1062755966.db2.gz SZGRPGYYRVUUQX-PGRDOPGGSA-N 0 3 453.002 2.921 20 0 JFADHN Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001290877367 1062762591 /nfs/dbraw/zinc/76/25/91/1062762591.db2.gz URMYGFZEWXATJO-SFTDATJTSA-N 0 3 462.639 2.925 20 0 JFADHN Cc1nnc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001290887422 1062766325 /nfs/dbraw/zinc/76/63/25/1062766325.db2.gz FAWHIEFKMFEMQW-SFTDATJTSA-N 0 3 479.000 2.900 20 0 JFADHN CC(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001287306034 1062776919 /nfs/dbraw/zinc/77/69/19/1062776919.db2.gz IPSFEHUBDRDBEE-ONTIZHBOSA-N 0 3 460.667 2.671 20 0 JFADHN CCCO[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CC1 ZINC001295002455 1062789424 /nfs/dbraw/zinc/78/94/24/1062789424.db2.gz OHMYMCKBJUMRAW-OALUTQOASA-N 0 3 455.669 2.554 20 0 JFADHN CC(C)Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 ZINC001287356022 1062826432 /nfs/dbraw/zinc/82/64/32/1062826432.db2.gz JVTGNGGSOBIGCF-FGZHOGPDSA-N 0 3 459.660 2.665 20 0 JFADHN CC(C)Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001287403583 1062846805 /nfs/dbraw/zinc/84/68/05/1062846805.db2.gz OBTJWRHKXXWLPK-SBUREZEXSA-N 0 3 473.647 2.656 20 0 JFADHN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001287422258 1062862348 /nfs/dbraw/zinc/86/23/48/1062862348.db2.gz VVEOOWGUGWPUFF-RTWAWAEBSA-N 0 3 457.598 2.959 20 0 JFADHN CC(C)Cc1nnc(N2CCc3nn(C)c(=O)cc3C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001287434392 1062870208 /nfs/dbraw/zinc/87/02/08/1062870208.db2.gz KWGRGBQDGMMLRE-NRFANRHFSA-N 0 3 453.566 2.575 20 0 JFADHN CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001287445493 1062879826 /nfs/dbraw/zinc/87/98/26/1062879826.db2.gz AUIPWUIEDIDNCS-LEWJYISDSA-N 0 3 489.709 2.550 20 0 JFADHN CC(C)Cc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001287456824 1062895224 /nfs/dbraw/zinc/89/52/24/1062895224.db2.gz RSIMQGKXYIINGH-JOCHJYFZSA-N 0 3 487.718 2.976 20 0 JFADHN C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c([C@H]3CCOC3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001291000597 1062896253 /nfs/dbraw/zinc/89/62/53/1062896253.db2.gz VQXZOERDKZBWQY-QRVBRYPASA-N 0 3 467.680 2.552 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001287462908 1062904853 /nfs/dbraw/zinc/90/48/53/1062904853.db2.gz VAYXGTBREFGMHD-PXDATVDWSA-N 0 3 489.064 2.781 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001287464939 1062910494 /nfs/dbraw/zinc/91/04/94/1062910494.db2.gz TXWDZLWCZBXODW-XUZZJYLKSA-N 0 3 460.667 2.672 20 0 JFADHN CC(C)Cc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001287466117 1062914199 /nfs/dbraw/zinc/91/41/99/1062914199.db2.gz WHBGJYBVMLBMHU-NFBKMPQASA-N 0 3 467.662 2.569 20 0 JFADHN C[C@@H]1C[C@@H](C)CN(CCCn2c(CCOc3ccccc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291014948 1062924480 /nfs/dbraw/zinc/92/44/80/1062924480.db2.gz KTWDBONTRAAKEX-MQSCRBSSSA-N 0 3 489.686 2.891 20 0 JFADHN CC(C)Cc1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001287506460 1062954575 /nfs/dbraw/zinc/95/45/75/1062954575.db2.gz SNZCOVJKXUBZHY-QZTJIDSGSA-N 0 3 464.565 2.940 20 0 JFADHN CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001295152830 1062973546 /nfs/dbraw/zinc/97/35/46/1062973546.db2.gz SPFBHDASSZMGBN-HFMPRLQTSA-N 0 3 497.706 2.597 20 0 JFADHN CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295158659 1062981877 /nfs/dbraw/zinc/98/18/77/1062981877.db2.gz LWIWZQMJXOFHCM-GOSISDBHSA-N 0 3 479.647 2.564 20 0 JFADHN NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001295182545 1063005359 /nfs/dbraw/zinc/00/53/59/1063005359.db2.gz CDNZTKCVVGICCK-HXUWFJFHSA-N 0 3 458.509 2.718 20 0 JFADHN C[C@H]1CCc2sc(-c3nnc(N4CCN(C(C)(C)C)CC4)n3CCCNS(C)(=O)=O)cc2C1 ZINC001291064354 1063006749 /nfs/dbraw/zinc/00/67/49/1063006749.db2.gz HLBOLVBWPDABPN-KRWDZBQOSA-N 0 3 494.731 2.991 20 0 JFADHN CC(C)CCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001287627562 1063008192 /nfs/dbraw/zinc/00/81/92/1063008192.db2.gz DJJMPQSSTMTZBZ-HXUWFJFHSA-N 0 3 458.582 2.785 20 0 JFADHN C[C@H]1CCC[C@](Cn2c(Cc3ccncc3)nnc2N(C)CCCS(C)(=O)=O)(N(C)C)C1 ZINC001291068871 1063017446 /nfs/dbraw/zinc/01/74/46/1063017446.db2.gz TZDZFERAAGYGQC-CVDCTZTESA-N 0 3 462.664 2.645 20 0 JFADHN C[C@@H]1CCC[C@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CC(F)C2)(N(C)C)C1 ZINC001291069174 1063017998 /nfs/dbraw/zinc/01/79/98/1063017998.db2.gz XXBSBCNJHWYMDF-KZGCJXQRSA-N 0 3 455.644 2.875 20 0 JFADHN COc1ccc([C@H](CN2CCCC2)NC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001295211674 1063026314 /nfs/dbraw/zinc/02/63/14/1063026314.db2.gz KTXXFWYRGULAQO-QFIPXVFZSA-N 0 3 459.612 2.934 20 0 JFADHN CCN(c1nnc(Cc2cccnc2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295227412 1063048363 /nfs/dbraw/zinc/04/83/63/1063048363.db2.gz GVWBZUZMNQOYIQ-CTNGQTDRSA-N 0 3 460.648 2.542 20 0 JFADHN CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295228303 1063050442 /nfs/dbraw/zinc/05/04/42/1063050442.db2.gz OVNXLDCREWMBTK-YADHBBJMSA-N 0 3 474.675 2.645 20 0 JFADHN C[C@H]1CCCCN1CCCn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001291099230 1063064520 /nfs/dbraw/zinc/06/45/20/1063064520.db2.gz DGBCHFMPDBFOHR-HKUYNNGSSA-N 0 3 451.662 2.818 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001287750192 1063074720 /nfs/dbraw/zinc/07/47/20/1063074720.db2.gz KENADNNKFWLCTJ-UHFFFAOYSA-N 0 3 492.571 2.607 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2cccnc2)C(C)C)CC1 ZINC001287751632 1063078215 /nfs/dbraw/zinc/07/82/15/1063078215.db2.gz YCQLYXSEJLWHGD-CTNGQTDRSA-N 0 3 477.679 2.501 20 0 JFADHN C[C@@H]1CCCN(C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001291103003 1063079327 /nfs/dbraw/zinc/07/93/27/1063079327.db2.gz WTIDFDHMDDPUMW-UXHICEINSA-N 0 3 480.723 2.611 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001287752263 1063080254 /nfs/dbraw/zinc/08/02/54/1063080254.db2.gz WUBGGFBIAAVXEB-WOJBJXKFSA-N 0 3 475.659 2.942 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCNS(C)(=O)=O)CC1 ZINC001287752364 1063080739 /nfs/dbraw/zinc/08/07/39/1063080739.db2.gz MUGWJYCDVNQGSM-UHFFFAOYSA-N 0 3 476.691 2.960 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2CCOCC2)CC1 ZINC001287752529 1063081091 /nfs/dbraw/zinc/08/10/91/1063081091.db2.gz YTLIAWWMRDMUBJ-UHFFFAOYSA-N 0 3 480.455 2.536 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001287761377 1063087063 /nfs/dbraw/zinc/08/70/63/1063087063.db2.gz YRMDQDWUJOWMLY-UHFFFAOYSA-N 0 3 468.627 2.764 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001287761431 1063087108 /nfs/dbraw/zinc/08/71/08/1063087108.db2.gz ZVRZYZMRUDSJCY-SFHVURJKSA-N 0 3 453.557 2.946 20 0 JFADHN C[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001291117663 1063122526 /nfs/dbraw/zinc/12/25/26/1063122526.db2.gz HYFTWNSUQAFAOJ-HJNYFJLDSA-N 0 3 490.674 2.540 20 0 JFADHN CCN(CC(C)C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001295285450 1063131697 /nfs/dbraw/zinc/13/16/97/1063131697.db2.gz RHJKPEVODDOPPX-FGZHOGPDSA-N 0 3 492.690 2.705 20 0 JFADHN CC(C)NC(=O)c1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CCN1CCC[C@@H](C)C1 ZINC001291125903 1063151035 /nfs/dbraw/zinc/15/10/35/1063151035.db2.gz CWWDTPKXXFTHFY-OAQYLSRUSA-N 0 3 495.672 2.889 20 0 JFADHN C[C@H]1CCCN1c1nnc(CCOc2ccccc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291134568 1063184699 /nfs/dbraw/zinc/18/46/99/1063184699.db2.gz KVSPENDRVIIPTK-RBBKRZOGSA-N 0 3 454.619 2.831 20 0 JFADHN C[C@@H]1CCCN1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCO1 ZINC001291135423 1063188049 /nfs/dbraw/zinc/18/80/49/1063188049.db2.gz BDWLAOBXOODMPJ-YLJYHZDGSA-N 0 3 461.010 2.961 20 0 JFADHN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCC[C@H]1C ZINC001291136165 1063190986 /nfs/dbraw/zinc/19/09/86/1063190986.db2.gz RFHRBHJDRWRIOY-RTBURBONSA-N 0 3 488.658 2.599 20 0 JFADHN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCC[C@@H]1C ZINC001291136163 1063191090 /nfs/dbraw/zinc/19/10/90/1063191090.db2.gz RFHRBHJDRWRIOY-OALUTQOASA-N 0 3 488.658 2.599 20 0 JFADHN CC(C)NC(=O)c1nnc(N(C)C[C@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001291141699 1063216167 /nfs/dbraw/zinc/21/61/67/1063216167.db2.gz RKUXUCMITOIJRD-UXHICEINSA-N 0 3 470.618 2.813 20 0 JFADHN CCN(CC)C(=O)CN1CCN(c2nnc(C(C)C)n2CCCN2CCc3ccccc3C2)CC1 ZINC001295335451 1063251957 /nfs/dbraw/zinc/25/19/57/1063251957.db2.gz YFZVDMVNSMGGIP-UHFFFAOYSA-N 0 3 481.689 2.840 20 0 JFADHN CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001295336177 1063256785 /nfs/dbraw/zinc/25/67/85/1063256785.db2.gz NPLNGMCASHNMKH-HSZRJFAPSA-N 0 3 496.635 2.706 20 0 JFADHN C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C ZINC001291171748 1063260564 /nfs/dbraw/zinc/26/05/64/1063260564.db2.gz QFUCIVYNLJJVTM-KCZVDYSFSA-N 0 3 453.635 2.689 20 0 JFADHN CC1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001291181158 1063274026 /nfs/dbraw/zinc/27/40/26/1063274026.db2.gz ZFYMRHGZEMFSEN-WOJBJXKFSA-N 0 3 467.680 2.696 20 0 JFADHN CC1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCOc2ccc(F)cc2)CC1 ZINC001291182836 1063278509 /nfs/dbraw/zinc/27/85/09/1063278509.db2.gz YREKWDNGVNIBHS-HXUWFJFHSA-N 0 3 493.649 2.957 20 0 JFADHN CC1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCOc2ccc(F)cc2)CC1 ZINC001291182835 1063278580 /nfs/dbraw/zinc/27/85/80/1063278580.db2.gz YREKWDNGVNIBHS-FQEVSTJZSA-N 0 3 493.649 2.957 20 0 JFADHN CC1CCN(CCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC001291182976 1063279178 /nfs/dbraw/zinc/27/91/78/1063279178.db2.gz CBMNHPDWBTVRMG-XIFFEERXSA-N 0 3 472.659 2.620 20 0 JFADHN CC1CCN(CCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC001291182975 1063279263 /nfs/dbraw/zinc/27/92/63/1063279263.db2.gz CBMNHPDWBTVRMG-MGBGTMOVSA-N 0 3 472.659 2.620 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCC(C)CC1 ZINC001291183331 1063280417 /nfs/dbraw/zinc/28/04/17/1063280417.db2.gz OIYROYVUHMTXRZ-LJQANCHMSA-N 0 3 477.654 2.642 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001295367660 1063333052 /nfs/dbraw/zinc/33/30/52/1063333052.db2.gz ZFILHAWGLQKNPT-HRAATJIYSA-N 0 3 467.039 2.739 20 0 JFADHN C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@](=O)C(C)(C)C)CCN(C2CCC2)C1 ZINC001291198058 1063347300 /nfs/dbraw/zinc/34/73/00/1063347300.db2.gz OZTCCGVYZCAVMF-FFZYEISDSA-N 0 3 487.674 2.783 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001295380027 1063352368 /nfs/dbraw/zinc/35/23/68/1063352368.db2.gz OLZFHSPHEPSWCW-GUDVDZBRSA-N 0 3 455.669 2.694 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001295380324 1063352650 /nfs/dbraw/zinc/35/26/50/1063352650.db2.gz PKZIDUMLIKBCPA-FGSXEWAUSA-N 0 3 455.669 2.552 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001295382211 1063354841 /nfs/dbraw/zinc/35/48/41/1063354841.db2.gz ZGHPKEGILLSYAO-HOTGVXAUSA-N 0 3 455.575 2.501 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSCC1)c1ccsc1 ZINC001295391016 1063373051 /nfs/dbraw/zinc/37/30/51/1063373051.db2.gz DALBWNPLEOWUNW-DOTOQJQBSA-N 0 3 472.706 2.586 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001295391969 1063375789 /nfs/dbraw/zinc/37/57/89/1063375789.db2.gz ZUGRBOBOPSJPEW-FXAWDEMLSA-N 0 3 467.611 2.740 20 0 JFADHN CCN(CC)[C@@H](Cn1c(C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001295397421 1063384085 /nfs/dbraw/zinc/38/40/85/1063384085.db2.gz MYRNQNMIAINJNW-OALUTQOASA-N 0 3 462.595 2.993 20 0 JFADHN C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291209810 1063385576 /nfs/dbraw/zinc/38/55/76/1063385576.db2.gz RNEQDUMCOLKGKF-SFHLNBCPSA-N 0 3 488.608 2.725 20 0 JFADHN CCN(CC)[C@@H](Cn1c(C2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccsc1 ZINC001295403583 1063388262 /nfs/dbraw/zinc/38/82/62/1063388262.db2.gz XEOSAHOVGPFXGE-IBGZPJMESA-N 0 3 466.677 2.772 20 0 JFADHN CCN(CC)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccsc1 ZINC001295404257 1063390287 /nfs/dbraw/zinc/39/02/87/1063390287.db2.gz IZGXZKPMVXYUEB-JEEBJRHZSA-N 0 3 490.674 2.814 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccco1 ZINC001295405224 1063393105 /nfs/dbraw/zinc/39/31/05/1063393105.db2.gz FVJFPTNRUAUVBP-PZJWPPBQSA-N 0 3 458.607 2.905 20 0 JFADHN CCN(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(N)=O)CC1)c1ccsc1 ZINC001295406476 1063396560 /nfs/dbraw/zinc/39/65/60/1063396560.db2.gz XKHCBQLUHUFOHI-NRFANRHFSA-N 0 3 484.674 2.986 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)NC)CC1)c1ccco1 ZINC001295407060 1063398540 /nfs/dbraw/zinc/39/85/40/1063398540.db2.gz PBCQIEDHCBPEDO-UYAOXDASSA-N 0 3 459.595 2.657 20 0 JFADHN CCN(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCNC(=O)CC1)c1ccsc1 ZINC001295407681 1063399100 /nfs/dbraw/zinc/39/91/00/1063399100.db2.gz XMNJUSKMVHOUAP-FQEVSTJZSA-N 0 3 453.616 2.735 20 0 JFADHN CC(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C)C1)N1CCCC1 ZINC001291214372 1063413423 /nfs/dbraw/zinc/41/34/23/1063413423.db2.gz VFPJYINZZJTXAY-WIYYLYMNSA-N 0 3 461.632 2.694 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001295479568 1063487525 /nfs/dbraw/zinc/48/75/25/1063487525.db2.gz FDUCGYWHODRXNE-HXUWFJFHSA-N 0 3 493.697 2.941 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccnc(SC)c2)CC1 ZINC001295480033 1063489603 /nfs/dbraw/zinc/48/96/03/1063489603.db2.gz KNEKFWFDKARUNI-UHFFFAOYSA-N 0 3 459.664 2.731 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C)c2)CC1 ZINC001295480026 1063489635 /nfs/dbraw/zinc/48/96/35/1063489635.db2.gz KIUDTKIJEWOERD-HHHXNRCGSA-N 0 3 498.672 2.666 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](C)OC)CC1 ZINC001295482279 1063498984 /nfs/dbraw/zinc/49/89/84/1063498984.db2.gz HUBKGYFJQJAFTE-KRWDZBQOSA-N 0 3 493.450 2.733 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2Cc2snnc2C)CC1 ZINC001295482281 1063499063 /nfs/dbraw/zinc/49/90/63/1063499063.db2.gz HXLDPVAOXNPHER-UHFFFAOYSA-N 0 3 489.049 2.797 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2[C@H]2C[C@@H]2C)CC1 ZINC001295482356 1063500232 /nfs/dbraw/zinc/50/02/32/1063500232.db2.gz LGJCDQJAQJKRPM-UWJYYQICSA-N 0 3 456.591 2.534 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2[C@@H]2C[C@@H]2C)CC1 ZINC001295482354 1063500349 /nfs/dbraw/zinc/50/03/49/1063500349.db2.gz LGJCDQJAQJKRPM-LAUBAEHRSA-N 0 3 456.591 2.534 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC(C)C)nc2)CC1 ZINC001295482635 1063504160 /nfs/dbraw/zinc/50/41/60/1063504160.db2.gz VZRISKABHMVALB-UHFFFAOYSA-N 0 3 494.644 2.505 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001295482722 1063504890 /nfs/dbraw/zinc/50/48/90/1063504890.db2.gz YLIIXMKEJZQLGV-UHFFFAOYSA-N 0 3 495.672 2.775 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2C[C@@H]2C)CC1 ZINC001295482717 1063505071 /nfs/dbraw/zinc/50/50/71/1063505071.db2.gz YJEONSHAEINALY-OALUTQOASA-N 0 3 470.618 2.609 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C)s2)CC1 ZINC001295483876 1063510024 /nfs/dbraw/zinc/51/00/24/1063510024.db2.gz JWOYQYNOERMARQ-HXUWFJFHSA-N 0 3 460.648 2.928 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001295484333 1063510061 /nfs/dbraw/zinc/51/00/61/1063510061.db2.gz MLYVMLJTVSWQBL-UHFFFAOYSA-N 0 3 495.550 2.530 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCC2CCC(OC)CC2)CC1 ZINC001295484410 1063511442 /nfs/dbraw/zinc/51/14/42/1063511442.db2.gz NEMXXIZMUYYUHI-KOENEWCDSA-N 0 3 490.693 2.758 20 0 JFADHN C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CCN1CC(F)(F)F ZINC001291241234 1063511509 /nfs/dbraw/zinc/51/15/09/1063511509.db2.gz LSAPJHFJJKJLTG-MNEFBYGVSA-N 0 3 497.541 2.744 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cccc(C)n2)CC1 ZINC001295484616 1063512032 /nfs/dbraw/zinc/51/20/32/1063512032.db2.gz PMXPVSFKWXJQFP-UHFFFAOYSA-N 0 3 476.629 2.585 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](OC)c2ccccc2)CC1 ZINC001295484719 1063512465 /nfs/dbraw/zinc/51/24/65/1063512465.db2.gz QPHPITYQUYWXBC-XZOQPEGZSA-N 0 3 484.645 2.898 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 ZINC001295484748 1063513283 /nfs/dbraw/zinc/51/32/83/1063513283.db2.gz RAAQKNUQWRLTFX-NTKDMRAZSA-N 0 3 457.623 2.611 20 0 JFADHN C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)N(C)C)CCN1CC(F)(F)F ZINC001291241789 1063513895 /nfs/dbraw/zinc/51/38/95/1063513895.db2.gz SPDDECAXAMUECV-BHIYHBOVSA-N 0 3 479.551 2.605 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)c2cccc(F)c2)CC1 ZINC001295485493 1063514332 /nfs/dbraw/zinc/51/43/32/1063514332.db2.gz XKEYYAQDVFYAAG-UHFFFAOYSA-N 0 3 494.619 2.842 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCCS2)CC1 ZINC001295490956 1063519962 /nfs/dbraw/zinc/51/99/62/1063519962.db2.gz KUMRPKFAGWZTGJ-OAQYLSRUSA-N 0 3 471.675 2.540 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(OC)c2)CC1 ZINC001295491035 1063520652 /nfs/dbraw/zinc/52/06/52/1063520652.db2.gz NMHCJRIAYNVFIH-UHFFFAOYSA-N 0 3 482.654 2.978 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC(F)(F)F)CC1 ZINC001295491046 1063521095 /nfs/dbraw/zinc/52/10/95/1063521095.db2.gz NVQZCWVKROEZLL-UHFFFAOYSA-N 0 3 452.525 2.730 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001295491579 1063523049 /nfs/dbraw/zinc/52/30/49/1063523049.db2.gz VEWOWFIVAUGPEX-GOTSBHOMSA-N 0 3 498.672 2.971 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCOC(C)(C)C)CC1 ZINC001295491827 1063524358 /nfs/dbraw/zinc/52/43/58/1063524358.db2.gz WWIGHWMPUISNHW-UHFFFAOYSA-N 0 3 462.664 2.736 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 ZINC001295491882 1063524922 /nfs/dbraw/zinc/52/49/22/1063524922.db2.gz YKFJKBWBNSNHCI-VWLOTQADSA-N 0 3 489.064 2.782 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2C[C@@H]2C)CC1 ZINC001295491883 1063524943 /nfs/dbraw/zinc/52/49/43/1063524943.db2.gz YMCBDBMMXICVLD-LEWJYISDSA-N 0 3 454.619 2.812 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001295553729 1063586461 /nfs/dbraw/zinc/58/64/61/1063586461.db2.gz JWPVSQCXLYOUMG-JPYJTQIMSA-N 0 3 461.632 2.699 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001295567048 1063601875 /nfs/dbraw/zinc/60/18/75/1063601875.db2.gz FWMDFAHRESHYKN-IEBWSBKVSA-N 0 3 458.632 2.704 20 0 JFADHN C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC001291285323 1063626019 /nfs/dbraw/zinc/62/60/19/1063626019.db2.gz OXSCKSAYFJHBRA-GXRSIYKFSA-N 0 3 490.693 2.755 20 0 JFADHN C[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC001291285324 1063626074 /nfs/dbraw/zinc/62/60/74/1063626074.db2.gz OXSCKSAYFJHBRA-LNRXMEIDSA-N 0 3 490.693 2.755 20 0 JFADHN CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C ZINC001295603685 1063648201 /nfs/dbraw/zinc/64/82/01/1063648201.db2.gz MWHPPVXDKDOFKD-IBGZPJMESA-N 0 3 463.648 2.803 20 0 JFADHN CCN(CC1CC1)c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C)C(C)(C)C1 ZINC001295692627 1063721886 /nfs/dbraw/zinc/72/18/86/1063721886.db2.gz KFZZMMMHOFDPAY-UHFFFAOYSA-N 0 3 459.664 2.532 20 0 JFADHN CCN(C[C@@H]1CCCO1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001295713670 1063731918 /nfs/dbraw/zinc/73/19/18/1063731918.db2.gz GZZCQMWPTLQBBY-GOTSBHOMSA-N 0 3 484.645 2.713 20 0 JFADHN CCN(C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CC=CCC2)C1)CC(F)(F)F ZINC001295764099 1063770942 /nfs/dbraw/zinc/77/09/42/1063770942.db2.gz RKTWDDBWIHCHQY-SFHVURJKSA-N 0 3 466.556 2.651 20 0 JFADHN C[C@@H]1SCCN(c2nnc(Cc3ccccn3)n2CCCN2CCC[C@H]2C(=O)N(C)C)[C@H]1C ZINC001291331382 1063786919 /nfs/dbraw/zinc/78/69/19/1063786919.db2.gz IKYPLZSVRCDTDF-ZJOUEHCJSA-N 0 3 471.675 2.537 20 0 JFADHN CCN(CCn1c(-c2cc3ccccc3o2)nnc1N1CCNC(=O)C1)CCC(F)(F)F ZINC001295826770 1063834774 /nfs/dbraw/zinc/83/47/74/1063834774.db2.gz AKYCXRAUZWTOTH-UHFFFAOYSA-N 0 3 450.465 2.902 20 0 JFADHN CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CCN(C)Cc2ccccc2)C1 ZINC001291345414 1063839938 /nfs/dbraw/zinc/83/99/38/1063839938.db2.gz XELRFKAOABHPLO-QHCPKHFHSA-N 0 3 461.614 2.891 20 0 JFADHN CCN(CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1)CCC(F)(F)F ZINC001295830144 1063844143 /nfs/dbraw/zinc/84/41/43/1063844143.db2.gz NJCWTTIAMANTQJ-MRXNPFEDSA-N 0 3 498.550 2.904 20 0 JFADHN CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C(N)=O)C1)CCC(F)(F)F ZINC001295831484 1063846488 /nfs/dbraw/zinc/84/64/88/1063846488.db2.gz YATUOKNSHYLTMZ-CQSZACIVSA-N 0 3 459.904 2.579 20 0 JFADHN CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001291347184 1063848035 /nfs/dbraw/zinc/84/80/35/1063848035.db2.gz IAGCCQKNVCASIU-NHCUHLMSSA-N 0 3 458.582 2.896 20 0 JFADHN CCN(CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1)CCC(F)(F)F ZINC001295836220 1063852518 /nfs/dbraw/zinc/85/25/18/1063852518.db2.gz POVLLKWCXRNBGD-DYESRHJHSA-N 0 3 468.524 2.999 20 0 JFADHN CCN(CCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1)CCC(F)(F)F ZINC001295836177 1063852663 /nfs/dbraw/zinc/85/26/63/1063852663.db2.gz OYSAPXXWNUDOCR-OAHLLOKOSA-N 0 3 469.487 2.572 20 0 JFADHN CCN(CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1)CCC(F)(F)F ZINC001295837649 1063855514 /nfs/dbraw/zinc/85/55/14/1063855514.db2.gz ASWLIRMBSJEAHF-GOSISDBHSA-N 0 3 480.539 2.958 20 0 JFADHN CCN(CCn1c(-c2ccccn2)nnc1N1CCC2(CNC(=O)C2)CC1)CCC(F)(F)F ZINC001295838125 1063856668 /nfs/dbraw/zinc/85/66/68/1063856668.db2.gz UGBYKNOLRSTIPZ-UHFFFAOYSA-N 0 3 465.524 2.721 20 0 JFADHN CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001291353919 1063859316 /nfs/dbraw/zinc/85/93/16/1063859316.db2.gz CBUXXIWEOPNRRR-IBGZPJMESA-N 0 3 484.711 2.605 20 0 JFADHN CCN(CCn1c(-c2cnccn2)nnc1N1CC[C@H](c2cnn(C)c2)C1)CCC(F)(F)F ZINC001295841473 1063860313 /nfs/dbraw/zinc/86/03/13/1063860313.db2.gz HAJZLJWBTVMXPH-INIZCTEOSA-N 0 3 463.512 2.737 20 0 JFADHN CCN(CCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cscn2)CC1)CCC(F)(F)F ZINC001295841667 1063861715 /nfs/dbraw/zinc/86/17/15/1063861715.db2.gz MWVXPXUIJAMHMQ-UHFFFAOYSA-N 0 3 497.595 2.732 20 0 JFADHN COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3C[C@@H](SC)[C@@H]([NH+](C)C)C3)c2)c1 ZINC001295851109 1063875258 /nfs/dbraw/zinc/87/52/58/1063875258.db2.gz CGAKLHBIGMDXQJ-PZJWPPBQSA-N 0 3 459.568 2.779 20 0 JFADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COc2ccccc2)C1)C(C)C ZINC001295852626 1063877487 /nfs/dbraw/zinc/87/74/87/1063877487.db2.gz KAZSSPOXNCXDTM-SFTDATJTSA-N 0 3 475.659 2.816 20 0 JFADHN CC[C@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001291379172 1063913793 /nfs/dbraw/zinc/91/37/93/1063913793.db2.gz VCRZKUBNVIGTBE-OFVILXPXSA-N 0 3 474.625 2.762 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCN(CC(C)C)C1 ZINC001295880419 1063924785 /nfs/dbraw/zinc/92/47/85/1063924785.db2.gz BOLHYNIOYXSXCU-WOJBJXKFSA-N 0 3 455.669 2.759 20 0 JFADHN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001291389175 1063938901 /nfs/dbraw/zinc/93/89/01/1063938901.db2.gz 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CCN1C[C@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC(F)F)C[C@H]1C ZINC001295998989 1064056186 /nfs/dbraw/zinc/05/61/86/1064056186.db2.gz YHSDKEMYQPLPBA-MSOLQXFVSA-N 0 3 478.592 2.653 20 0 JFADHN CCN(CCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)S(C)(=O)=O ZINC001296000355 1064057147 /nfs/dbraw/zinc/05/71/47/1064057147.db2.gz CJKQGEBRDYVRMH-MOPGFXCFSA-N 0 3 480.654 2.599 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC001296002076 1064057838 /nfs/dbraw/zinc/05/78/38/1064057838.db2.gz KKXLXDSGDFOQBM-SJORKVTESA-N 0 3 468.005 2.983 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C[C@@H]1C ZINC001296002734 1064058064 /nfs/dbraw/zinc/05/80/64/1064058064.db2.gz NSDYXNNRXZPDMM-IRFCIJBXSA-N 0 3 495.594 2.836 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@@H]1C ZINC001296003267 1064058256 /nfs/dbraw/zinc/05/82/56/1064058256.db2.gz SKSVJNXYVORHSC-FDFHNCONSA-N 0 3 468.646 2.591 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCc2ccco2)C[C@@H]1C ZINC001296003208 1064058446 /nfs/dbraw/zinc/05/84/46/1064058446.db2.gz SBEYPDWICQOKDO-ROUUACIJSA-N 0 3 454.550 2.836 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CCCN1CCN(CC)CC1 ZINC001291508021 1064059305 /nfs/dbraw/zinc/05/93/05/1064059305.db2.gz DZLMNPRSKYZMOY-NRFANRHFSA-N 0 3 459.683 2.801 20 0 JFADHN CC[C@@H](C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCCNC(=O)c1cccc(O)c1 ZINC001291510504 1064062284 /nfs/dbraw/zinc/06/22/84/1064062284.db2.gz XFRQMYRLLHLHHU-GGAORHGYSA-N 0 3 497.688 2.922 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)C2CC2)C[C@@H]1C ZINC001296008825 1064062566 /nfs/dbraw/zinc/06/25/66/1064062566.db2.gz BPOZYDZWJKWIQU-PMACEKPBSA-N 0 3 454.619 2.919 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296008903 1064063420 /nfs/dbraw/zinc/06/34/20/1064063420.db2.gz BWXFXPIODSSPDG-HUUCEWRRSA-N 0 3 470.952 2.811 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001296009388 1064064413 /nfs/dbraw/zinc/06/44/13/1064064413.db2.gz FURBZMCVJSUZTI-LEWJYISDSA-N 0 3 492.690 2.721 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)N2CCOCC2)C[C@H]1C ZINC001296009657 1064065863 /nfs/dbraw/zinc/06/58/63/1064065863.db2.gz IBWHAZZNPDLWJA-NHCUHLMSSA-N 0 3 486.661 2.895 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C ZINC001296009917 1064067514 /nfs/dbraw/zinc/06/75/14/1064067514.db2.gz JEKZYPCQEDWJEN-SFTDATJTSA-N 0 3 484.645 2.675 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)NCC2CC2)C[C@@H]1C ZINC001296010378 1064068599 /nfs/dbraw/zinc/06/85/99/1064068599.db2.gz PUHVGICAJYMMSB-RBUKOAKNSA-N 0 3 454.619 2.517 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H](C)N2CCOCC2)C[C@H]1C ZINC001296010710 1064069134 /nfs/dbraw/zinc/06/91/34/1064069134.db2.gz CTHCQUOVWYGQQT-HKBOAZHASA-N 0 3 472.634 2.505 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CC3CC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C[C@H]1C ZINC001296011243 1064070645 /nfs/dbraw/zinc/07/06/45/1064070645.db2.gz UNQAELYSLMEFDD-AOIWGVFYSA-N 0 3 458.573 2.803 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001291522062 1064073891 /nfs/dbraw/zinc/07/38/91/1064073891.db2.gz YBUONBCNZWGPFE-SFTDATJTSA-N 0 3 459.683 2.514 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2Cc2conc2COC)C[C@H]1C ZINC001296016989 1064078298 /nfs/dbraw/zinc/07/82/98/1064078298.db2.gz WNLYRBDTIFYIID-MSOLQXFVSA-N 0 3 470.574 2.967 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001291542346 1064085445 /nfs/dbraw/zinc/08/54/45/1064085445.db2.gz PWOXPZMTSWRBPY-IPJJNNNSSA-N 0 3 457.671 2.867 20 0 JFADHN CCN1CC[C@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296035848 1064095082 /nfs/dbraw/zinc/09/50/82/1064095082.db2.gz GFKHHQRJIWZEPZ-FUHWJXTLSA-N 0 3 496.475 2.981 20 0 JFADHN CCN1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H](C)CS(=O)(=O)CC)C1 ZINC001296036077 1064095409 /nfs/dbraw/zinc/09/54/09/1064095409.db2.gz HASUNPBRNKHMGF-CVEARBPZSA-N 0 3 455.028 2.595 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001291578247 1064103142 /nfs/dbraw/zinc/10/31/42/1064103142.db2.gz CSZSCMPPGHHTNH-ADSMNUKGSA-N 0 3 472.634 2.652 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1csc([C@H](C)OC)n1 ZINC001291578580 1064104174 /nfs/dbraw/zinc/10/41/74/1064104174.db2.gz FHJROYUTDQCGJS-LNLFQRSKSA-N 0 3 475.663 2.747 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[C@@H](OC)C(F)(F)F ZINC001291583070 1064115484 /nfs/dbraw/zinc/11/54/84/1064115484.db2.gz PKLWOYMBGLASDM-IAGOWNOFSA-N 0 3 460.545 2.503 20 0 JFADHN CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001296054804 1064115764 /nfs/dbraw/zinc/11/57/64/1064115764.db2.gz CTVPLJWCRDUKBZ-OAQYLSRUSA-N 0 3 467.618 2.723 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1ccc2c(c1)OCCCO2 ZINC001291583781 1064117470 /nfs/dbraw/zinc/11/74/70/1064117470.db2.gz WXUCPUQSJDWLTP-HXUWFJFHSA-N 0 3 484.645 2.992 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001296073344 1064138598 /nfs/dbraw/zinc/13/85/98/1064138598.db2.gz CYZLJMRSWCZEFS-QGZVFWFLSA-N 0 3 482.555 2.777 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001296075710 1064143410 /nfs/dbraw/zinc/14/34/10/1064143410.db2.gz QLEVWUYIKMYERI-UXHICEINSA-N 0 3 473.666 2.520 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001296075712 1064143473 /nfs/dbraw/zinc/14/34/73/1064143473.db2.gz QLEVWUYIKMYERI-WOJBJXKFSA-N 0 3 473.666 2.520 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C)C1 ZINC001296080576 1064147510 /nfs/dbraw/zinc/14/75/10/1064147510.db2.gz MTGPNYKJLPWPGS-PXNSSMCTSA-N 0 3 461.010 2.961 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001296080910 1064148255 /nfs/dbraw/zinc/14/82/55/1064148255.db2.gz OFIVXMUDWUKTTD-PZJWPPBQSA-N 0 3 467.618 2.689 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001296081002 1064148292 /nfs/dbraw/zinc/14/82/92/1064148292.db2.gz OXNXPZXDBSPREQ-INIZCTEOSA-N 0 3 481.523 2.693 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCc1cccc(C(N)=O)c1 ZINC001291621868 1064162379 /nfs/dbraw/zinc/16/23/79/1064162379.db2.gz PZDKPSHMYYMIIN-OALUTQOASA-N 0 3 454.619 2.823 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCc1cccc(C(=O)NC)c1 ZINC001291638872 1064186066 /nfs/dbraw/zinc/18/60/66/1064186066.db2.gz KBBVZVJYFXKBED-TZIWHRDSSA-N 0 3 454.619 2.552 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001291638993 1064186517 /nfs/dbraw/zinc/18/65/17/1064186517.db2.gz LBXOGSZIGLOETM-KNQAVFIVSA-N 0 3 475.659 2.543 20 0 JFADHN CCN1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1=O ZINC001296108698 1064186730 /nfs/dbraw/zinc/18/67/30/1064186730.db2.gz LWSIRLVCMBVMPM-NRFANRHFSA-N 0 3 451.575 2.643 20 0 JFADHN NC(=O)C1CCN(Cc2cccc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)c2)CC1 ZINC001291640192 1064189014 /nfs/dbraw/zinc/18/90/14/1064189014.db2.gz BBBBFBYEFJJQTL-KRWDZBQOSA-N 0 3 456.493 2.654 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001291654315 1064206728 /nfs/dbraw/zinc/20/67/28/1064206728.db2.gz GTEMDJVSSHFTMN-WIYYLYMNSA-N 0 3 454.619 2.580 20 0 JFADHN CCN1CCN(C(=O)CC2CCN(c3nnc(C(C)(C)C)n3CCn3ccnc3C)CC2)CC1 ZINC001296119901 1064206708 /nfs/dbraw/zinc/20/67/08/1064206708.db2.gz ZINQOOPCYMGQCF-UHFFFAOYSA-N 0 3 470.666 2.551 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296120083 1064207809 /nfs/dbraw/zinc/20/78/09/1064207809.db2.gz DJRZTKJWUAXVKU-PKOBYXMFSA-N 0 3 464.561 2.798 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001296120133 1064208276 /nfs/dbraw/zinc/20/82/76/1064208276.db2.gz FGNDXUBEDXIDPO-QGZVFWFLSA-N 0 3 464.561 2.834 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001296120117 1064208363 /nfs/dbraw/zinc/20/83/63/1064208363.db2.gz FDPFJNAHVSPNBC-PMACEKPBSA-N 0 3 486.661 2.992 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001296122565 1064215149 /nfs/dbraw/zinc/21/51/49/1064215149.db2.gz XTMPBYDRNBDXNL-REHUZNOOSA-N 0 3 486.661 2.850 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001296124156 1064216578 /nfs/dbraw/zinc/21/65/78/1064216578.db2.gz FRBGFPTUDYEOBB-KRWDZBQOSA-N 0 3 492.043 2.726 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001291682312 1064216758 /nfs/dbraw/zinc/21/67/58/1064216758.db2.gz LFCVUTDIUGHELV-HXUWFJFHSA-N 0 3 480.723 2.755 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCSC[C@H]2C)CC1 ZINC001296124347 1064217096 /nfs/dbraw/zinc/21/70/96/1064217096.db2.gz GXUIYTIBGPDURG-RBUKOAKNSA-N 0 3 474.675 2.930 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001296125298 1064218643 /nfs/dbraw/zinc/21/86/43/1064218643.db2.gz LUCNMUNAFYDOBO-RBUKOAKNSA-N 0 3 462.042 2.882 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001296125569 1064219204 /nfs/dbraw/zinc/21/92/04/1064219204.db2.gz MUSHGNSEPDCKJD-HKUYNNGSSA-N 0 3 462.042 2.881 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001296126455 1064220407 /nfs/dbraw/zinc/22/04/07/1064220407.db2.gz QHRWTYSHVMHQPH-OALUTQOASA-N 0 3 467.618 2.536 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296127361 1064221644 /nfs/dbraw/zinc/22/16/44/1064221644.db2.gz UXZYBVLBDKKSBI-NFQMXDRXSA-N 0 3 481.689 2.970 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296128045 1064222078 /nfs/dbraw/zinc/22/20/78/1064222078.db2.gz XJDOERKBFNNASU-NHCUHLMSSA-N 0 3 498.676 2.812 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCC(Oc3cncc(Cl)n3)CC2)CC1 ZINC001296130718 1064224114 /nfs/dbraw/zinc/22/41/14/1064224114.db2.gz GGBKBTWZAUOMGN-LJQANCHMSA-N 0 3 491.084 2.994 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC001296131187 1064224983 /nfs/dbraw/zinc/22/49/83/1064224983.db2.gz HZBKQZPBYQEOET-RBUKOAKNSA-N 0 3 488.633 2.602 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001296131347 1064225046 /nfs/dbraw/zinc/22/50/46/1064225046.db2.gz JKDXLXBANAYMBN-MSOLQXFVSA-N 0 3 467.456 2.687 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 ZINC001296131352 1064225467 /nfs/dbraw/zinc/22/54/67/1064225467.db2.gz JVHITCFGRUROKN-FQEVSTJZSA-N 0 3 494.688 2.890 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC001296131729 1064226498 /nfs/dbraw/zinc/22/64/98/1064226498.db2.gz LRABRJZOWDRNAV-CVEARBPZSA-N 0 3 487.596 2.920 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001296131916 1064227491 /nfs/dbraw/zinc/22/74/91/1064227491.db2.gz NAZGQJGAFHXTEQ-VAMGGRTRSA-N 0 3 488.599 2.746 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001296132098 1064228347 /nfs/dbraw/zinc/22/83/47/1064228347.db2.gz QXKCWYGJIZHFTN-OKZBNKHCSA-N 0 3 463.721 2.990 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cccnc3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC001296132221 1064228874 /nfs/dbraw/zinc/22/88/74/1064228874.db2.gz PSAWOOKZAUQXGK-WZONZLPQSA-N 0 3 495.594 2.896 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(N(C)C[C@@H](C)C(=O)NC)nnc2C2(c3ccccc3)CCC2)CC1 ZINC001296132584 1064230814 /nfs/dbraw/zinc/23/08/14/1064230814.db2.gz BRRZUPZOBFSKFK-YADHBBJMSA-N 0 3 481.689 2.592 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(N3CCSC(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296132660 1064231109 /nfs/dbraw/zinc/23/11/09/1064231109.db2.gz CLMDOMGKQMIPHV-GBXCKJPGSA-N 0 3 480.723 2.677 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001296132788 1064231596 /nfs/dbraw/zinc/23/15/96/1064231596.db2.gz RTODUPXOLJHQKH-OXQOHEQNSA-N 0 3 478.016 2.684 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296133548 1064233522 /nfs/dbraw/zinc/23/35/22/1064233522.db2.gz IKDFAHXIQPHKER-KSEOMHKRSA-N 0 3 490.693 2.612 20 0 JFADHN CCN(C[C@H](O)c1ccc(C)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001296133380 1064233578 /nfs/dbraw/zinc/23/35/78/1064233578.db2.gz TXTJQLGFGWDREA-JRFVFWCSSA-N 0 3 470.662 2.676 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(C3CCC3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001296133358 1064233644 /nfs/dbraw/zinc/23/36/44/1064233644.db2.gz TVOKQEGBWGJKPR-UXHICEINSA-N 0 3 475.682 2.923 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001296134378 1064235659 /nfs/dbraw/zinc/23/56/59/1064235659.db2.gz OJZLZSOAXGWMAM-OALUTQOASA-N 0 3 491.731 2.627 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(C3CCCC3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001296134806 1064236748 /nfs/dbraw/zinc/23/67/48/1064236748.db2.gz ZVHJDPSUVJMCOW-QGZVFWFLSA-N 0 3 458.573 2.855 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001296135472 1064239600 /nfs/dbraw/zinc/23/96/00/1064239600.db2.gz YYGUDOZQDVQKRL-CDJZJNNCSA-N 0 3 462.683 2.836 20 0 JFADHN CC[C@@H](C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001291760914 1064242182 /nfs/dbraw/zinc/24/21/82/1064242182.db2.gz OQTOEJZBPIMLTH-JPYJTQIMSA-N 0 3 461.632 2.696 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)CCOc2cccc(C)c2)CC1 ZINC001296137562 1064243751 /nfs/dbraw/zinc/24/37/51/1064243751.db2.gz QCUZCQZXUWZZSB-JTHBVZDNSA-N 0 3 456.635 2.979 20 0 JFADHN CCN1CCN(c2ccc(Cn3c(N(C)CCN4CCOC(C)(C)C4)nnc3C(C)(C)C)cn2)CC1 ZINC001296137882 1064244304 /nfs/dbraw/zinc/24/43/04/1064244304.db2.gz SKPOSHPULWWAQV-UHFFFAOYSA-N 0 3 498.720 2.708 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291774095 1064261680 /nfs/dbraw/zinc/26/16/80/1064261680.db2.gz LMIGPADECMAJCS-CNNODRBYSA-N 0 3 491.658 2.924 20 0 JFADHN CC[C@@H](C)N(C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001291782291 1064270536 /nfs/dbraw/zinc/27/05/36/1064270536.db2.gz CKIPCUPATMQJRM-VQIMIIECSA-N 0 3 470.039 2.864 20 0 JFADHN CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001296163244 1064277584 /nfs/dbraw/zinc/27/75/84/1064277584.db2.gz SMXZOQBFZPOBIA-IFMALSPDSA-N 0 3 458.626 2.895 20 0 JFADHN CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001296163245 1064277735 /nfs/dbraw/zinc/27/77/35/1064277735.db2.gz SMXZOQBFZPOBIA-IRLDBZIGSA-N 0 3 458.626 2.895 20 0 JFADHN CC[C@H](C)N(C)CCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001291783918 1064277845 /nfs/dbraw/zinc/27/78/45/1064277845.db2.gz PITWTXQHMXABGQ-PMACEKPBSA-N 0 3 463.648 2.828 20 0 JFADHN CC[C@H](C)N(C)CCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001291783920 1064277883 /nfs/dbraw/zinc/27/78/83/1064277883.db2.gz PITWTXQHMXABGQ-VQTJNVASSA-N 0 3 463.648 2.828 20 0 JFADHN CC[C@@H](C)N(C)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001291784435 1064279438 /nfs/dbraw/zinc/27/94/38/1064279438.db2.gz RASJLXZAPHOVFO-YKSBVNFPSA-N 0 3 475.659 2.911 20 0 JFADHN CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)CN2CCOCC2)C[C@@H]1C ZINC001296166224 1064287780 /nfs/dbraw/zinc/28/77/80/1064287780.db2.gz NHBGFRHKKJANAT-YADHBBJMSA-N 0 3 456.635 2.664 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@](C)(O)C(C)C)C2)CC1 ZINC001296180742 1064312362 /nfs/dbraw/zinc/31/23/62/1064312362.db2.gz QSKUEZKPDGECHH-CVDCTZTESA-N 0 3 462.042 2.617 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(CC4CC4)n3C[C@@H](C)N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296181640 1064317137 /nfs/dbraw/zinc/31/71/37/1064317137.db2.gz AEQMEWKSKVWEFU-TZIWHRDSSA-N 0 3 475.682 2.702 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(Cc4ccccc4C)n3CCNC(=O)OC(C)(C)C)C2)CC1 ZINC001296181936 1064319906 /nfs/dbraw/zinc/31/99/06/1064319906.db2.gz HVKDEAONHHKDSZ-HSZRJFAPSA-N 0 3 497.688 2.918 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001296182595 1064323949 /nfs/dbraw/zinc/32/39/49/1064323949.db2.gz UYIXTYHISNISGJ-IBGZPJMESA-N 0 3 473.691 2.794 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC=C(c3ccccc3)C2)CC1 ZINC001296183511 1064328930 /nfs/dbraw/zinc/32/89/30/1064328930.db2.gz DRLXOKLIYLPPQP-QFIPXVFZSA-N 0 3 479.673 2.984 20 0 JFADHN CC[C@@H](C)NC(=O)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(CC(C)C)CC1 ZINC001291810656 1064336764 /nfs/dbraw/zinc/33/67/64/1064336764.db2.gz YMUOMHOHRMFWHY-GOSISDBHSA-N 0 3 480.617 2.677 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@@H]2CCCCO2)CC1 ZINC001296190031 1064336930 /nfs/dbraw/zinc/33/69/30/1064336930.db2.gz AZXBNHKRGSTMNH-GMAHTHKFSA-N 0 3 455.651 2.543 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)OC)CC1 ZINC001296190364 1064337875 /nfs/dbraw/zinc/33/78/75/1064337875.db2.gz CODHTXQTMQDVFV-LJQANCHMSA-N 0 3 479.670 2.664 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001296191607 1064342627 /nfs/dbraw/zinc/34/26/27/1064342627.db2.gz KEBKARGLMFEBNW-HXUWFJFHSA-N 0 3 464.699 2.976 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC[C@H]2C)CC1 ZINC001296192407 1064345325 /nfs/dbraw/zinc/34/53/25/1064345325.db2.gz DWKIPBROKMVGBT-FYYLOGMGSA-N 0 3 470.662 2.973 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC[C@H]2C)CC1 ZINC001296192410 1064345476 /nfs/dbraw/zinc/34/54/76/1064345476.db2.gz DWKIPBROKMVGBT-JTHBVZDNSA-N 0 3 470.662 2.973 20 0 JFADHN 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CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1C[C@H]1N(C)CCCC1(C)C ZINC001292086423 1064769126 /nfs/dbraw/zinc/76/91/26/1064769126.db2.gz SEYWXQZLZNJWJI-GHTZIAJQSA-N 0 3 487.693 2.812 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001292090533 1064776073 /nfs/dbraw/zinc/77/60/73/1064776073.db2.gz PXGDOFGGYRYBSS-RTWAWAEBSA-N 0 3 487.693 2.908 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1C[C@]1(N(C)C)CCSC1 ZINC001292102466 1064793391 /nfs/dbraw/zinc/79/33/91/1064793391.db2.gz RQAKQQNYBZWSGG-SELNLUPBSA-N 0 3 464.680 2.782 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1ccc(C)cc1C ZINC001292109872 1064810192 /nfs/dbraw/zinc/81/01/92/1064810192.db2.gz DQDWZWVMZQLUTB-UHFFFAOYSA-N 0 3 495.672 2.606 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1CCN1CCC[C@H]1C ZINC001292110962 1064817622 /nfs/dbraw/zinc/81/76/22/1064817622.db2.gz OKTZUZNJQPQMDP-LJQANCHMSA-N 0 3 499.635 2.782 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1c(C)noc1C ZINC001292124037 1064864013 /nfs/dbraw/zinc/86/40/13/1064864013.db2.gz DHVLCXCEHSEQJZ-MRXNPFEDSA-N 0 3 473.622 2.539 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@@H]2CC)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001292133575 1064888964 /nfs/dbraw/zinc/88/89/64/1064888964.db2.gz IGQGGWUYRAPAAD-SFTDATJTSA-N 0 3 469.634 2.523 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001292153146 1064931987 /nfs/dbraw/zinc/93/19/87/1064931987.db2.gz CLPBDUHEVBURQI-SJLPKXTDSA-N 0 3 487.615 2.857 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001292172153 1064958279 /nfs/dbraw/zinc/95/82/79/1064958279.db2.gz JFHVYFAHLLYYCK-AQNXPRMDSA-N 0 3 491.681 2.838 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001292172154 1064958320 /nfs/dbraw/zinc/95/83/20/1064958320.db2.gz JFHVYFAHLLYYCK-VAMGGRTRSA-N 0 3 491.681 2.838 20 0 JFADHN CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C1)N1CCc2ccccc2C1 ZINC001292173589 1064962270 /nfs/dbraw/zinc/96/22/70/1064962270.db2.gz NNDWZFRLVYKJOE-LVCYWYKZSA-N 0 3 460.648 2.571 20 0 JFADHN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)OC ZINC001292181240 1064971404 /nfs/dbraw/zinc/97/14/04/1064971404.db2.gz SEXNDNTXMBFDTN-DOTOQJQBSA-N 0 3 467.412 2.619 20 0 JFADHN CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001292192828 1064985379 /nfs/dbraw/zinc/98/53/79/1064985379.db2.gz NOJHOSQZXUBNHD-UXHICEINSA-N 0 3 461.632 2.842 20 0 JFADHN CCS(=O)(=O)c1ccc(N2CCC(NC(=O)C3C[C@H](c4ccccc4)OC3=O)CC2)cc1 ZINC001292215554 1065003836 /nfs/dbraw/zinc/00/38/36/1065003836.db2.gz JQQGPAUJLMSBEP-FGZHOGPDSA-N 0 3 456.564 2.870 20 0 JFADHN CCS(=O)(=O)c1ccc(N2CCC(NC(=O)C3C[C@@H](c4ccccc4)OC3=O)CC2)cc1 ZINC001292215556 1065003956 /nfs/dbraw/zinc/00/39/56/1065003956.db2.gz JQQGPAUJLMSBEP-YADHBBJMSA-N 0 3 456.564 2.870 20 0 JFADHN CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)OC ZINC001292225257 1065012628 /nfs/dbraw/zinc/01/26/28/1065012628.db2.gz QICHHXABLIKTSK-WTGUMLROSA-N 0 3 480.654 2.930 20 0 JFADHN CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)CCCC(=O)NC)N1CCc2ccccc2C1 ZINC001292226995 1065014703 /nfs/dbraw/zinc/01/47/03/1065014703.db2.gz VCCGNSWGDXNQAU-VXKWHMMOSA-N 0 3 454.619 2.581 20 0 JFADHN CC[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001292334016 1065090070 /nfs/dbraw/zinc/09/00/70/1065090070.db2.gz ZAOCSBIVUTXRAH-AWRGLXIESA-N 0 3 490.674 2.540 20 0 JFADHN CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(cc[nH]c3=O)C2)N(C)C)cc1 ZINC001292458308 1065180875 /nfs/dbraw/zinc/18/08/75/1065180875.db2.gz OOCYJXSOPGCPMK-QFIPXVFZSA-N 0 3 477.613 2.945 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(CC)Cc2cnn(C)c2)N(C)C)cc1 ZINC001292458452 1065182304 /nfs/dbraw/zinc/18/23/04/1065182304.db2.gz OYSVKEHNWMLQAQ-YADHBBJMSA-N 0 3 464.618 2.855 20 0 JFADHN CCc1ccc([C@@H](Cn2c(Cc3ccncc3)nnc2N2CC[C@@](C)(C(N)=O)C2)N(C)C)cc1 ZINC001292458647 1065182351 /nfs/dbraw/zinc/18/23/51/1065182351.db2.gz AGQAGZAXRICUQE-ATIYNZHBSA-N 0 3 461.614 2.831 20 0 JFADHN CCc1ccc([C@@H](Cn2c(C3CCC3)nnc2N2CCCN(S(C)(=O)=O)CC2)N(C)C)cc1 ZINC001292458905 1065183627 /nfs/dbraw/zinc/18/36/27/1065183627.db2.gz RIVFEMHTLCPJLM-JOCHJYFZSA-N 0 3 474.675 2.883 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](CNC(C)=O)C2)N(C)C)cc1 ZINC001292459717 1065185477 /nfs/dbraw/zinc/18/54/77/1065185477.db2.gz FUFFBCYDXXQRIM-SGNDLWITSA-N 0 3 484.645 2.726 20 0 JFADHN CCc1ccc([C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](C(=O)NC)C2)N(C)C)cc1 ZINC001292460539 1065189169 /nfs/dbraw/zinc/18/91/69/1065189169.db2.gz IHBQDVFWEBPPBP-YPAWHYETSA-N 0 3 454.619 2.957 20 0 JFADHN CCc1ccc([C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](C)(C(=O)NC)C2)N(C)C)cc1 ZINC001292462122 1065191616 /nfs/dbraw/zinc/19/16/16/1065191616.db2.gz QZNNYCMQYYPMQP-NBCVKUGOSA-N 0 3 498.672 2.830 20 0 JFADHN CCc1ccc(-c2nnc(N(CC)[C@@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)cc1 ZINC001292475792 1065200280 /nfs/dbraw/zinc/20/02/80/1065200280.db2.gz DOEOXKHSDLOMBJ-JOCHJYFZSA-N 0 3 488.702 2.547 20 0 JFADHN CCc1ccc(-c2nnc(N3C[C@H](N4CCCN(C(C)=O)CC4)[C@@H](C)C3)n2CC(C)(C)O)cc1 ZINC001292479739 1065203617 /nfs/dbraw/zinc/20/36/17/1065203617.db2.gz TUJZQIJOTOBXCQ-CVDCTZTESA-N 0 3 468.646 2.657 20 0 JFADHN CCc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001292484736 1065206439 /nfs/dbraw/zinc/20/64/39/1065206439.db2.gz GLCOERADXDGBHO-NNMXDRDESA-N 0 3 474.675 2.850 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2CCC(=O)N[C@H](C)CC)cc1 ZINC001292513204 1065232076 /nfs/dbraw/zinc/23/20/76/1065232076.db2.gz AGZRBOAYPRXGAY-OFNKIYASSA-N 0 3 495.672 2.555 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001292603792 1065327332 /nfs/dbraw/zinc/32/73/32/1065327332.db2.gz NWJCEINXJGGJTE-OAQYLSRUSA-N 0 3 497.688 2.537 20 0 JFADHN O=C(CCN1CCN(c2ccccc2)CC1)NCCNC(=O)c1cccc(Br)c1 ZINC001292605596 1065331078 /nfs/dbraw/zinc/33/10/78/1065331078.db2.gz IGVSBYNTMZQGRT-UHFFFAOYSA-N 0 3 459.388 2.507 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC(C)(C)COC ZINC001292610984 1065340453 /nfs/dbraw/zinc/34/04/53/1065340453.db2.gz ZEJNGWDBGOBJMB-QFIPXVFZSA-N 0 3 498.672 2.835 20 0 JFADHN CCc1ccccc1OCc1nnc(Nc2cnn(C)c2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001292623867 1065359727 /nfs/dbraw/zinc/35/97/27/1065359727.db2.gz GKGLZLRSTDKBIC-IBGZPJMESA-N 0 3 452.607 2.923 20 0 JFADHN CCc1cnc(Cn2c(Cc3ccsc3)nnc2N2CCN(C(=O)CN(CC)CC)CC2)s1 ZINC001292660552 1065396563 /nfs/dbraw/zinc/39/65/63/1065396563.db2.gz PUDQGLAAZOZRLR-UHFFFAOYSA-N 0 3 487.699 2.988 20 0 JFADHN CN(C)CCn1c2cc(C(=O)NCc3ccc(NC(=O)c4cccnc4)cc3)ccc2[nH]c1=O ZINC001292697406 1065447900 /nfs/dbraw/zinc/44/79/00/1065447900.db2.gz XLCHDVHUQSXPEA-UHFFFAOYSA-N 0 3 458.522 2.881 20 0 JFADHN CCc1nn(C)c(OC)c1Cn1c([C@@H](C)CC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001292775322 1065533694 /nfs/dbraw/zinc/53/36/94/1065533694.db2.gz WXQCLDIZWNIIGO-ROUUACIJSA-N 0 3 459.639 2.834 20 0 JFADHN CCc1nn(C)c(OC)c1Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001292780358 1065539607 /nfs/dbraw/zinc/53/96/07/1065539607.db2.gz BXRQUOGTLVXTNA-ROUUACIJSA-N 0 3 452.607 2.536 20 0 JFADHN CCc1nn(C)c(OC)c1Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001292780355 1065539709 /nfs/dbraw/zinc/53/97/09/1065539709.db2.gz BXRQUOGTLVXTNA-QZTJIDSGSA-N 0 3 452.607 2.536 20 0 JFADHN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(CCN(C)C)C3CCCCC3)c2)C[C@H](C)O1 ZINC001292872687 1065581222 /nfs/dbraw/zinc/58/12/22/1065581222.db2.gz VQQJKHGIFQOQAL-KDURUIRLSA-N 0 3 451.633 2.821 20 0 JFADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCOc1ccccc1C ZINC001292892390 1065589770 /nfs/dbraw/zinc/58/97/70/1065589770.db2.gz CTKSBHYUTTZFJP-RBBKRZOGSA-N 0 3 454.619 2.607 20 0 JFADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1C[C@@H](C)Oc1ccc(F)cc1 ZINC001292893220 1065593116 /nfs/dbraw/zinc/59/31/16/1065593116.db2.gz MKZGMOZFCNPVTQ-YCRNBWNJSA-N 0 3 472.609 2.826 20 0 JFADHN CCc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001292922622 1065609957 /nfs/dbraw/zinc/60/99/57/1065609957.db2.gz FGIANYOTVDNROJ-WBVHZDCISA-N 0 3 456.488 2.787 20 0 JFADHN CCc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1CCCN1CCN(CC)CC1 ZINC001292934163 1065624076 /nfs/dbraw/zinc/62/40/76/1065624076.db2.gz LFXNSINSMLCXHK-XMMPIXPASA-N 0 3 458.626 2.957 20 0 JFADHN Cc1nn(CC(=O)NC[C@H](C)CN2CCN(C)CC2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001292959054 1065637158 /nfs/dbraw/zinc/63/71/58/1065637158.db2.gz QJHIOKSNJDJCBZ-HNNXBMFYSA-N 0 3 454.541 2.882 20 0 JFADHN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC001292959319 1065637820 /nfs/dbraw/zinc/63/78/20/1065637820.db2.gz UQSQQORJLQLYTJ-HXUWFJFHSA-N 0 3 458.628 2.515 20 0 JFADHN CCN1CCN([C@H](C)CNC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1 ZINC001292985128 1065668671 /nfs/dbraw/zinc/66/86/71/1065668671.db2.gz CLKOTEUBTMJAFV-QPPBQGQZSA-N 0 3 452.599 2.666 20 0 JFADHN CCN1CCN([C@@H](C)CNC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC001292986389 1065670990 /nfs/dbraw/zinc/67/09/90/1065670990.db2.gz KQGAEABUBJOYPE-WMZHIEFXSA-N 0 3 453.587 2.721 20 0 JFADHN COC(=O)C1CCN(CCCNC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)CC1 ZINC001292987202 1065673259 /nfs/dbraw/zinc/67/32/59/1065673259.db2.gz UFKGFHGAKHNNPF-UHFFFAOYSA-N 0 3 453.539 2.952 20 0 JFADHN COC(=O)C1CCN(CCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1 ZINC001292988122 1065674725 /nfs/dbraw/zinc/67/47/25/1065674725.db2.gz YOZVKNDECJNZJI-FQEVSTJZSA-N 0 3 451.995 2.876 20 0 JFADHN CCOc1ccc([C@]2(C(=O)N3CCN(C(=O)CN(CC)CC)CC3)CC2(Cl)Cl)cc1 ZINC001293082809 1065732931 /nfs/dbraw/zinc/73/29/31/1065732931.db2.gz XIHNXGHJHSSEFO-NRFANRHFSA-N 0 3 456.414 2.913 20 0 JFADHN CCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001293087793 1065737370 /nfs/dbraw/zinc/73/73/70/1065737370.db2.gz ZLSCQOMEDKRIQP-JOCHJYFZSA-N 0 3 473.710 2.733 20 0 JFADHN CCc1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001293119610 1065767697 /nfs/dbraw/zinc/76/76/97/1065767697.db2.gz LMICBISDVOIRTL-GGAORHGYSA-N 0 3 467.662 2.666 20 0 JFADHN CCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1ccccc1OCC(F)(F)F ZINC001293129628 1065779881 /nfs/dbraw/zinc/77/98/81/1065779881.db2.gz BPVRYWTYDOXKFP-QGZVFWFLSA-N 0 3 453.509 2.988 20 0 JFADHN CCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C ZINC001293131589 1065784058 /nfs/dbraw/zinc/78/40/58/1065784058.db2.gz PKBJPQDHANNMKG-RTBURBONSA-N 0 3 450.628 2.645 20 0 JFADHN CCc1nnc(N2CCN(CC3CCOCC3)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001293132712 1065785560 /nfs/dbraw/zinc/78/55/60/1065785560.db2.gz ZBXNPXQOROJGAR-UHFFFAOYSA-N 0 3 472.581 2.549 20 0 JFADHN CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCC[C@H](C)C1 ZINC001293214578 1065848226 /nfs/dbraw/zinc/84/82/26/1065848226.db2.gz ABMLLMORUNVGFE-LAUBAEHRSA-N 0 3 467.618 2.594 20 0 JFADHN CC[C@H]1[C@@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCN(CC)CC1 ZINC001293250075 1065915288 /nfs/dbraw/zinc/91/52/88/1065915288.db2.gz FTGHBTREXHLSGL-PMACEKPBSA-N 0 3 454.623 2.578 20 0 JFADHN CC[C@H]1[C@@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001293254543 1065918465 /nfs/dbraw/zinc/91/84/65/1065918465.db2.gz ZCGDQCUDSNIEND-OALUTQOASA-N 0 3 454.623 2.576 20 0 JFADHN CC[C@@H]1CCCCN1CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCCS(C)(=O)=O ZINC001293365113 1065969638 /nfs/dbraw/zinc/96/96/38/1065969638.db2.gz JVGOVYZPXOAGFE-HXUWFJFHSA-N 0 3 491.658 2.852 20 0 JFADHN O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC001293383615 1065985378 /nfs/dbraw/zinc/98/53/78/1065985378.db2.gz QEYAZLPWUMKHSE-UHFFFAOYSA-N 0 3 451.523 2.885 20 0 JFADHN C[C@H](CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001293543252 1066063211 /nfs/dbraw/zinc/06/32/11/1066063211.db2.gz XPVGPTRKZOTOJK-KZNAEPCWSA-N 0 3 457.040 2.905 20 0 JFADHN C[C@H](CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001293543252 1066063224 /nfs/dbraw/zinc/06/32/24/1066063224.db2.gz XPVGPTRKZOTOJK-KZNAEPCWSA-N 0 3 457.040 2.905 20 0 JFADHN O=C(NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccn(-c2cc(F)cc(F)c2)n1 ZINC001293558077 1066071729 /nfs/dbraw/zinc/07/17/29/1066071729.db2.gz DYHOHFKOWUFKEE-UHFFFAOYSA-N 0 3 453.493 2.906 20 0 JFADHN Cc1nc(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)sc1Br ZINC001293558454 1066072082 /nfs/dbraw/zinc/07/20/82/1066072082.db2.gz MXKXFHHLQOCGGR-UHFFFAOYSA-N 0 3 451.390 2.970 20 0 JFADHN CN(CCCN1CCN(C)CC1)C(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 ZINC001293564978 1066077281 /nfs/dbraw/zinc/07/72/81/1066077281.db2.gz FWHOZEPPGOYXHY-UHFFFAOYSA-N 0 3 450.509 2.873 20 0 JFADHN CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@@H](C)C2)C[C@H](C)O1 ZINC001293600194 1066116245 /nfs/dbraw/zinc/11/62/45/1066116245.db2.gz PIVYJQQPGBLVFR-YMQHIKHWSA-N 0 3 467.680 2.552 20 0 JFADHN CC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)CN2CCN(CC)CC2)CCO1 ZINC001293609699 1066125283 /nfs/dbraw/zinc/12/52/83/1066125283.db2.gz AEILMGOEEYMJBI-REWPJTCUSA-N 0 3 458.626 2.897 20 0 JFADHN CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001293645677 1066161212 /nfs/dbraw/zinc/16/12/12/1066161212.db2.gz XNFOZKOJNWLIGK-CTNGQTDRSA-N 0 3 488.608 2.554 20 0 JFADHN CC/C=C/Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001293704328 1066178267 /nfs/dbraw/zinc/17/82/67/1066178267.db2.gz CTTKYZJKECEOSF-FNNXTJRKSA-N 0 3 468.602 2.747 20 0 JFADHN CC/C=C/Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001293712440 1066180183 /nfs/dbraw/zinc/18/01/83/1066180183.db2.gz RBPLQUWBAWRZNE-WKOQKXSESA-N 0 3 452.603 2.587 20 0 JFADHN CC/C=C/Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001293717378 1066180875 /nfs/dbraw/zinc/18/08/75/1066180875.db2.gz JNSCRERMVXDZHH-NFOSPISASA-N 0 3 466.630 2.781 20 0 JFADHN CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001293754510 1066230121 /nfs/dbraw/zinc/23/01/21/1066230121.db2.gz BEIYHISLFRUMER-QFIPXVFZSA-N 0 3 499.679 2.919 20 0 JFADHN CCCC(=O)NC[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCC(C)(C)C2)C1 ZINC001293782513 1066279580 /nfs/dbraw/zinc/27/95/80/1066279580.db2.gz ZKOJOHCBWYTQAL-OAQYLSRUSA-N 0 3 487.693 2.769 20 0 JFADHN CCC[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001293801815 1066312492 /nfs/dbraw/zinc/31/24/92/1066312492.db2.gz LWQQHMZGXAIVEN-IIBYNOLFSA-N 0 3 481.439 2.745 20 0 JFADHN CCC[C@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001293824951 1066333289 /nfs/dbraw/zinc/33/32/89/1066333289.db2.gz YJBIMMKSICNDQS-DFBJGRDBSA-N 0 3 476.616 2.914 20 0 JFADHN CCC[C@@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001293824952 1066333824 /nfs/dbraw/zinc/33/38/24/1066333824.db2.gz YJBIMMKSICNDQS-KBMIEXCESA-N 0 3 476.616 2.914 20 0 JFADHN CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001293850063 1066354772 /nfs/dbraw/zinc/35/47/72/1066354772.db2.gz MYGDEXWOAUZUQJ-UYAOXDASSA-N 0 3 458.607 2.557 20 0 JFADHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCN2CC)C1 ZINC001293930571 1066408970 /nfs/dbraw/zinc/40/89/70/1066408970.db2.gz CTFXRFYFLALXSC-HBMCJLEFSA-N 0 3 475.682 2.812 20 0 JFADHN CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CC)C1 ZINC001293933794 1066413454 /nfs/dbraw/zinc/41/34/54/1066413454.db2.gz TWTQKHCXYMFUKO-ACRUOGEOSA-N 0 3 473.666 2.520 20 0 JFADHN CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)CCN1CCOC ZINC001294058583 1066531257 /nfs/dbraw/zinc/53/12/57/1066531257.db2.gz SCWOPYQNHYTEHM-VSKRKVRLSA-N 0 3 496.722 2.543 20 0 JFADHN CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)CCN1CCOC ZINC001294058584 1066531284 /nfs/dbraw/zinc/53/12/84/1066531284.db2.gz SCWOPYQNHYTEHM-YPAWHYETSA-N 0 3 496.722 2.543 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccccc3)n2CCN2CCOC[C@H]2C)CCN1CCOC ZINC001294065676 1066536558 /nfs/dbraw/zinc/53/65/58/1066536558.db2.gz FIZUSSCKFMXMHD-GGAORHGYSA-N 0 3 456.635 2.603 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(C)COCCO2)CCN1CCOC ZINC001294066832 1066536693 /nfs/dbraw/zinc/53/66/93/1066536693.db2.gz FFRMPNHIQLALKG-PXDATVDWSA-N 0 3 473.618 2.696 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@]2(OC)CCOC2)CCN1CCOC ZINC001294074580 1066543592 /nfs/dbraw/zinc/54/35/92/1066543592.db2.gz TZDFAYXOLVONJK-CYFREDJKSA-N 0 3 461.582 2.827 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2(CC)CCOCC2)CCN1CCOC ZINC001294075509 1066544622 /nfs/dbraw/zinc/54/46/22/1066544622.db2.gz AFRTUXWLQOTQPB-NRFANRHFSA-N 0 3 459.639 2.823 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC)CCN1CCOC ZINC001294076110 1066545097 /nfs/dbraw/zinc/54/50/97/1066545097.db2.gz FPSGDPSQLHOYBY-SFHVURJKSA-N 0 3 463.652 2.585 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC(=O)Nc2c(C)cccc2C)CCN1CCOC ZINC001294076295 1066545139 /nfs/dbraw/zinc/54/51/39/1066545139.db2.gz HLZQSBHAHIPJGR-JOCHJYFZSA-N 0 3 494.644 2.871 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCCC2(C)C)CCN1CCOC ZINC001294077885 1066547396 /nfs/dbraw/zinc/54/73/96/1066547396.db2.gz TYQRNSJPIILTTC-DVECYGJZSA-N 0 3 457.623 2.613 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2cnccc2OC)CCN1CCOC ZINC001294077877 1066547562 /nfs/dbraw/zinc/54/75/62/1066547562.db2.gz SZYHRQLURPAIKV-OAQYLSRUSA-N 0 3 451.575 2.729 20 0 JFADHN CCC[C@@H]1CN(c2nnc(C3CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCN1CCOC ZINC001294080188 1066548786 /nfs/dbraw/zinc/54/87/86/1066548786.db2.gz COKZGOSHHSHSRN-IEBWSBKVSA-N 0 3 458.573 2.977 20 0 JFADHN CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CCO1 ZINC001294085283 1066555160 /nfs/dbraw/zinc/55/51/60/1066555160.db2.gz DPTLDAPPESKFOB-UWHLTILDSA-N 0 3 467.680 2.554 20 0 JFADHN CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)CCN1CCOC ZINC001294087839 1066559968 /nfs/dbraw/zinc/55/99/68/1066559968.db2.gz XYNBOVXTOJMORS-NBGIEHNGSA-N 0 3 460.667 2.815 20 0 JFADHN CC(C)(c1ccnc(Cl)c1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001164430395 718956213 /nfs/dbraw/zinc/95/62/13/718956213.db2.gz UDOCOQWAPRACHB-NLFFAJNJSA-N 0 3 485.032 2.838 20 0 JFADHN CN(C)c1nccc(N2CCOC[C@]3(CCCN(c4ncccc4CN4CCCC4)C3)C2)n1 ZINC001164664548 719357859 /nfs/dbraw/zinc/35/78/59/719357859.db2.gz OFFOUSNVUVDAJB-RUZDIDTESA-N 0 3 451.619 2.657 20 0 JFADHN COC(=O)c1cc2c([n-]1)nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164836342 720562869 /nfs/dbraw/zinc/56/28/69/720562869.db2.gz JPMXXGMUZZSMBD-HDMKZQKVSA-N 0 3 457.966 2.972 20 0 JFADHN COC(=O)c1cc2c([n-]1)nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164836342 720562887 /nfs/dbraw/zinc/56/28/87/720562887.db2.gz JPMXXGMUZZSMBD-HDMKZQKVSA-N 0 3 457.966 2.972 20 0 JFADHN O=C(NCc1ccccc1)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164745087 720647896 /nfs/dbraw/zinc/64/78/96/720647896.db2.gz UIEONOFOVKDLGE-VQTJNVASSA-N 0 3 464.957 2.797 20 0 JFADHN CCOC(=O)c1cnc(-c2cccs2)nc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744278 720675410 /nfs/dbraw/zinc/67/54/10/720675410.db2.gz YYZPPRWDERYKIA-HZPDHXFCSA-N 0 3 452.540 2.514 20 0 JFADHN CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743881 720688283 /nfs/dbraw/zinc/68/82/83/720688283.db2.gz YNUUADSMEHUSIY-LSDHHAIUSA-N 0 3 454.918 2.592 20 0 JFADHN FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741215 720841786 /nfs/dbraw/zinc/84/17/86/720841786.db2.gz DUCLNVFEOASIEP-QLFBSQMISA-N 0 3 455.966 2.935 20 0 JFADHN FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741215 720841789 /nfs/dbraw/zinc/84/17/89/720841789.db2.gz DUCLNVFEOASIEP-QLFBSQMISA-N 0 3 455.966 2.935 20 0 JFADHN CS(=O)(=O)c1nc(Cl)cc(N2CC[C@]3(CN(CC4CC4)C[C@@H]3COCc3cccnc3)C2)n1 ZINC001164755734 720868213 /nfs/dbraw/zinc/86/82/13/720868213.db2.gz YJLAIRNQNCEQHL-XXBNENTESA-N 0 3 492.045 2.684 20 0 JFADHN c1ccc(CN2CCc3c(ncnc3N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)C2)cc1 ZINC001164866394 721079571 /nfs/dbraw/zinc/07/95/71/721079571.db2.gz TURZOYZDAPKFMB-BJKOFHAPSA-N 0 3 456.594 2.910 20 0 JFADHN COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864862 721092259 /nfs/dbraw/zinc/09/22/59/721092259.db2.gz GXIRSNNKXDTWDR-ZWKOTPCHSA-N 0 3 453.930 2.945 20 0 JFADHN c1cncc(CO[C@@H]2C[C@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CCN3C2)c1 ZINC001164865373 721106696 /nfs/dbraw/zinc/10/66/96/721106696.db2.gz KLTUOJGNCIRVCI-XZOQPEGZSA-N 0 3 472.597 2.799 20 0 JFADHN CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867648 721117852 /nfs/dbraw/zinc/11/78/52/721117852.db2.gz ZFZUSRBQQXUHRI-VXKWHMMOSA-N 0 3 460.582 2.890 20 0 JFADHN O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc21 ZINC001164877606 721134648 /nfs/dbraw/zinc/13/46/48/721134648.db2.gz OZVLRNYSIBYBDA-FGZHOGPDSA-N 0 3 490.589 2.543 20 0 JFADHN Fc1ccccc1N1CCN(c2cc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)ncn2)CC1 ZINC001164880936 721157925 /nfs/dbraw/zinc/15/79/25/721157925.db2.gz XWUSEELUHWDTOH-GOTSBHOMSA-N 0 3 489.599 2.817 20 0 JFADHN c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CCN3C2)c1 ZINC001164875322 721172180 /nfs/dbraw/zinc/17/21/80/721172180.db2.gz KUBDBZBLSFLAAM-RPBOFIJWSA-N 0 3 472.593 2.855 20 0 JFADHN COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164762479 721173481 /nfs/dbraw/zinc/17/34/81/721173481.db2.gz CGWZMOKJSMJFBS-UZUFYEDSSA-N 0 3 480.613 2.944 20 0 JFADHN Cn1cc(CN2CC[C@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)C[C@H]3C2)cn1 ZINC001164774391 721199788 /nfs/dbraw/zinc/19/97/88/721199788.db2.gz YUPUYLHKWYNIKO-VQTJNVASSA-N 0 3 493.681 2.704 20 0 JFADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)ncn4)C[C@H]3C2)cn1 ZINC001164773395 721211572 /nfs/dbraw/zinc/21/15/72/721211572.db2.gz WYKGXPNLFISIFE-FGZHOGPDSA-N 0 3 476.604 2.634 20 0 JFADHN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cccc(N4CCN(C)CC4)n3)C2)C1 ZINC001164784076 721357346 /nfs/dbraw/zinc/35/73/46/721357346.db2.gz QGYAFUVPUYEJHW-VWLOTQADSA-N 0 3 454.619 2.557 20 0 JFADHN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)C2)C1 ZINC001164781543 721365528 /nfs/dbraw/zinc/36/55/28/721365528.db2.gz JVKTUECPIAXKLB-SANMLTNESA-N 0 3 496.660 2.796 20 0 JFADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5c4ccn5COC(=O)C(C)(C)C)C3)O2)CC1 ZINC001164891990 721411823 /nfs/dbraw/zinc/41/18/23/721411823.db2.gz XUAZNJVZHRVJOF-IBVKSMDESA-N 0 3 484.645 2.744 20 0 JFADHN c1csc(N2[C@@H]3CCN(c4ncccc4CN4CCCC4)C[C@H]3C[C@H]2Cn2cncn2)n1 ZINC001164900643 721495561 /nfs/dbraw/zinc/49/55/61/721495561.db2.gz RJDJPVFADRNSGX-QHAWAJNXSA-N 0 3 450.616 2.899 20 0 JFADHN CN(Cc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)N3c3nccs3)C2)nc1)C1CC1 ZINC001164900189 721495655 /nfs/dbraw/zinc/49/56/55/721495655.db2.gz NDAJCVWISHXLKC-HMXCVIKNSA-N 0 3 450.616 2.898 20 0 JFADHN O=S(=O)(c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1)N1CCCCC1 ZINC001164907594 721553355 /nfs/dbraw/zinc/55/33/55/721553355.db2.gz OURHHYRQGJPOLV-PZJWPPBQSA-N 0 3 460.575 2.737 20 0 JFADHN O=S(=O)(c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1)N1CCCCC1 ZINC001164907592 721553697 /nfs/dbraw/zinc/55/36/97/721553697.db2.gz OURHHYRQGJPOLV-FPOVZHCZSA-N 0 3 460.575 2.737 20 0 JFADHN CCOC(=O)c1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1C(=O)OCC ZINC001164908708 721568210 /nfs/dbraw/zinc/56/82/10/721568210.db2.gz RSTPKKBRYMEBJJ-MJGOQNOKSA-N 0 3 457.502 2.916 20 0 JFADHN COC(=O)c1cc2c(OC)[nH]c(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)cc-2n1 ZINC001164962260 722055664 /nfs/dbraw/zinc/05/56/64/722055664.db2.gz BYZGLAPKCDCHBC-UHFFFAOYSA-N 0 3 465.554 2.872 20 0 JFADHN O=C1NCCc2[nH]c(-c3ccnc(N4CCC5(CC4)COCCN(Cc4ccncc4)C5)c3)cc21 ZINC001164964982 722055802 /nfs/dbraw/zinc/05/58/02/722055802.db2.gz ZOTHIPSLOGRQLA-UHFFFAOYSA-N 0 3 472.593 2.877 20 0 JFADHN CCOC(=O)C1CCN(c2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nn2)CC1 ZINC001164960040 722057702 /nfs/dbraw/zinc/05/77/02/722057702.db2.gz FFLYVSQATQFKIK-UHFFFAOYSA-N 0 3 494.640 2.770 20 0 JFADHN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982723 722101555 /nfs/dbraw/zinc/10/15/55/722101555.db2.gz OCISFHDGSSMFEO-WMZOPIPTSA-N 0 3 481.931 2.974 20 0 JFADHN COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1C ZINC001164972552 722137656 /nfs/dbraw/zinc/13/76/56/722137656.db2.gz ACCONUIYEWHKGI-LPHOPBHVSA-N 0 3 470.961 2.531 20 0 JFADHN CS(=O)(=O)c1cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164973014 722159196 /nfs/dbraw/zinc/15/91/96/722159196.db2.gz JXLPUHJPQMHYJG-SJLPKXTDSA-N 0 3 486.972 2.806 20 0 JFADHN CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCN(C)C[C@H]3c3cnn(C)c3)cc2)CC1 ZINC001264109363 1059520463 /nfs/dbraw/zinc/52/04/63/1059520463.db2.gz OPSPPYTWCWSNGR-YADHBBJMSA-N 0 3 459.616 2.515 20 0 JFADHN COc1cc(I)ccc1C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC001264759035 1059665744 /nfs/dbraw/zinc/66/57/44/1059665744.db2.gz IGLQQTHFMYZJKR-UHFFFAOYSA-N 0 3 452.296 2.699 20 0 JFADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@H](F)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc21 ZINC001264843109 1059703123 /nfs/dbraw/zinc/70/31/23/1059703123.db2.gz GBEVUCOCZJAWRX-RDTXWAMCSA-N 0 3 450.511 2.690 20 0 JFADHN O=C(NCCN1CCCC1)c1ccc(NC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)cc1 ZINC001265131962 1059775436 /nfs/dbraw/zinc/77/54/36/1059775436.db2.gz PXBRRAPCADBZME-UHFFFAOYSA-N 0 3 451.502 2.773 20 0 JFADHN Cc1sc2ncn(CC(=O)Nc3ccc(C(=O)NCCN4CCCC4)cc3)c(=O)c2c1C ZINC001265132216 1059775618 /nfs/dbraw/zinc/77/56/18/1059775618.db2.gz YLDXKGWTJXYQBH-UHFFFAOYSA-N 0 3 453.568 2.539 20 0 JFADHN CN(C(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1)[C@H]1CCCN(C)C1 ZINC001265247167 1059805729 /nfs/dbraw/zinc/80/57/29/1059805729.db2.gz LPEQLLWMIYWCPW-IRLDBZIGSA-N 0 3 455.603 2.719 20 0 JFADHN CC(=O)N1C[C@H](C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)Oc2ccccc21 ZINC001265247642 1059806092 /nfs/dbraw/zinc/80/60/92/1059806092.db2.gz PALQDRQWCGSUSK-NZQKXSOJSA-N 0 3 450.539 2.605 20 0 JFADHN CO[C@]1(C)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCC2)C1 ZINC001299748513 1059974406 /nfs/dbraw/zinc/97/44/06/1059974406.db2.gz DJIJLAPAUIIONB-HSZRJFAPSA-N 0 3 461.632 2.840 20 0 JFADHN COc1ccc(-n2c(C)nnc2SCC(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)cc1 ZINC001279601491 1059985790 /nfs/dbraw/zinc/98/57/90/1059985790.db2.gz MNXFIKZHJBVCSX-LJQANCHMSA-N 0 3 459.616 2.778 20 0 JFADHN CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccncc3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001286849284 1061170867 /nfs/dbraw/zinc/17/08/67/1061170867.db2.gz ALFRWQJCCNBMQD-SFTDATJTSA-N 0 3 467.643 2.933 20 0 JFADHN Cc1ccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CCN(C)Cc2ccc(F)cc2)o1 ZINC001289577011 1061222926 /nfs/dbraw/zinc/22/29/26/1061222926.db2.gz MKGGJKFPDNEEOJ-UHFFFAOYSA-N 0 3 490.605 2.636 20 0 JFADHN CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001286863707 1061239721 /nfs/dbraw/zinc/23/97/21/1061239721.db2.gz 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0 3 487.693 2.766 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc(C)o4)n3CCCOCC(F)F)C[C@@H]2C)CC1 ZINC001286872142 1061276628 /nfs/dbraw/zinc/27/66/28/1061276628.db2.gz SITBMRXEDXFZIT-FXAWDEMLSA-N 0 3 494.587 2.897 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3CC3(O)CCCCC3)C[C@H]2C)CC1 ZINC001286872590 1061278763 /nfs/dbraw/zinc/27/87/63/1061278763.db2.gz WTFSDIGSZUMUGO-IFMALSPDSA-N 0 3 460.667 2.551 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3CC3(C)CCOCC3)C[C@@H]2C)CC1 ZINC001286872537 1061278816 /nfs/dbraw/zinc/27/88/16/1061278816.db2.gz WAAGZZPEMODFQN-FPOVZHCZSA-N 0 3 460.667 2.771 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3CC3(O)CCCCC3)C[C@@H]2C)CC1 ZINC001286872593 1061279457 /nfs/dbraw/zinc/27/94/57/1061279457.db2.gz WTFSDIGSZUMUGO-UNMCSNQZSA-N 0 3 460.667 2.551 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3CCCCc3nc(C)cs3)C[C@@H]2C)CC1 ZINC001286872725 1061280159 /nfs/dbraw/zinc/28/01/59/1061280159.db2.gz XFYUPFWGTLESQA-UWJYYQICSA-N 0 3 459.664 2.753 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C4CC4)n3CCCOCCC(C)C)C[C@H]2C)CC1 ZINC001286872737 1061280226 /nfs/dbraw/zinc/28/02/26/1061280226.db2.gz XGNWZGQTNOORQU-OFNKIYASSA-N 0 3 460.667 2.987 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C4CC4)n3CCCOCCC(C)C)C[C@H]2C)CC1 ZINC001286872735 1061280294 /nfs/dbraw/zinc/28/02/94/1061280294.db2.gz XGNWZGQTNOORQU-NFBKMPQASA-N 0 3 460.667 2.987 20 0 JFADHN CC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001286872828 1061282068 /nfs/dbraw/zinc/28/20/68/1061282068.db2.gz ULQJOFREDPUQSU-OZXSUGGESA-N 0 3 484.645 2.599 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3Cc3cccc(O)c3)C[C@H]2C)CC1 ZINC001286873004 1061283898 /nfs/dbraw/zinc/28/38/98/1061283898.db2.gz ZYRXNGDGRAWCOA-XXBNENTESA-N 0 3 454.619 2.609 20 0 JFADHN CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC001286880727 1061304939 /nfs/dbraw/zinc/30/49/39/1061304939.db2.gz TXCAIZCLHXSXOV-WWPVKYPJSA-N 0 3 454.619 2.840 20 0 JFADHN Cc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CCN(C(C)(C)C)CC2)c(=O)n1C ZINC001289694507 1061306992 /nfs/dbraw/zinc/30/69/92/1061306992.db2.gz IDFBKZLMCGTEGD-UHFFFAOYSA-N 0 3 468.577 2.972 20 0 JFADHN CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCN(C)C(C)(C)C2)[C@H](C)C1 ZINC001286883761 1061315040 /nfs/dbraw/zinc/31/50/40/1061315040.db2.gz PIZKCRUDLVOUBD-JOCHJYFZSA-N 0 3 497.688 2.557 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCOC3)n2C[C@@H]2CCCN2CCCO)cc1C ZINC001289725690 1061333308 /nfs/dbraw/zinc/33/33/08/1061333308.db2.gz IIXJEEXBMQNPJA-GGAORHGYSA-N 0 3 484.645 2.857 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCN2CCC[C@H](C)C2)cc1C ZINC001289737411 1061349805 /nfs/dbraw/zinc/34/98/05/1061349805.db2.gz FCJBDIRYUYWTTK-FXAWDEMLSA-N 0 3 467.618 2.581 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2CC(C)C)cc1C ZINC001289741985 1061357654 /nfs/dbraw/zinc/35/76/54/1061357654.db2.gz YYEPJDMTFDBRTI-NRFANRHFSA-N 0 3 467.618 2.546 20 0 JFADHN CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001286907616 1061437754 /nfs/dbraw/zinc/43/77/54/1061437754.db2.gz CYDCEAGPWNYLLT-IFMALSPDSA-N 0 3 451.550 2.887 20 0 JFADHN Cc1ccc(OCc2nnc(N3CCOC[C@@H]3C)n2CCN2CCN(C)C(C)(C)C2)cc1C ZINC001289832443 1061508309 /nfs/dbraw/zinc/50/83/09/1061508309.db2.gz WOVZGSMXLVDPRI-NRFANRHFSA-N 0 3 456.635 2.725 20 0 JFADHN CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccnc3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001286923659 1061527160 /nfs/dbraw/zinc/52/71/60/1061527160.db2.gz PGPLGAZPGGUPAC-OAQYLSRUSA-N 0 3 465.577 2.964 20 0 JFADHN CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1cnn(C)c1 ZINC001294100993 1061581598 /nfs/dbraw/zinc/58/15/98/1061581598.db2.gz MKGZIUBHCMJBGP-NRFANRHFSA-N 0 3 457.575 2.924 20 0 JFADHN Cc1cccc(C)c1OCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001289901111 1061586520 /nfs/dbraw/zinc/58/65/20/1061586520.db2.gz CAOOTPVXCKSDFF-QHCPKHFHSA-N 0 3 497.688 2.717 20 0 JFADHN CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001294117351 1061599452 /nfs/dbraw/zinc/59/94/52/1061599452.db2.gz WOJVKSQAILLYCX-SIKLNZKXSA-N 0 3 475.682 2.766 20 0 JFADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC001294120662 1061600357 /nfs/dbraw/zinc/60/03/57/1061600357.db2.gz AERYOFZTDPJSGM-UHFFFAOYSA-N 0 3 452.580 2.812 20 0 JFADHN CC(=O)NCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001286944976 1061618068 /nfs/dbraw/zinc/61/80/68/1061618068.db2.gz FSZRPBIPTGJMMQ-SFHVURJKSA-N 0 3 491.036 2.899 20 0 JFADHN CC(=O)NCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001286944975 1061618100 /nfs/dbraw/zinc/61/81/00/1061618100.db2.gz FSZRPBIPTGJMMQ-GOSISDBHSA-N 0 3 491.036 2.899 20 0 JFADHN Cc1cccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2CCCO)c1 ZINC001289997492 1061720986 /nfs/dbraw/zinc/72/09/86/1061720986.db2.gz FVVOTPNCNLRBLL-VXKWHMMOSA-N 0 3 454.619 2.913 20 0 JFADHN Cc1cccc([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCCN3CCC[C@@H]3C(=O)N(C)C)C2)c1 ZINC001290000640 1061724480 /nfs/dbraw/zinc/72/44/80/1061724480.db2.gz GDCCJYRKEHUVHK-XZOQPEGZSA-N 0 3 495.672 2.661 20 0 JFADHN Cc1cccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C(C)C)N2CCCC2)c1 ZINC001290045915 1061763289 /nfs/dbraw/zinc/76/32/89/1061763289.db2.gz AFRVHCIYMZHTAE-IRLDBZIGSA-N 0 3 475.659 2.909 20 0 JFADHN Cc1cccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@@H](C(C)C)N2CCCC2)c1 ZINC001290045919 1061764114 /nfs/dbraw/zinc/76/41/14/1061764114.db2.gz AFRVHCIYMZHTAE-UNMCSNQZSA-N 0 3 475.659 2.909 20 0 JFADHN CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)N(C)C ZINC001290057771 1061776613 /nfs/dbraw/zinc/77/66/13/1061776613.db2.gz FFVSFLXCOLYJTR-MRXNPFEDSA-N 0 3 455.930 2.778 20 0 JFADHN Cc1cccc(OCc2nnc(N3CCN(C(C)C)CC3)n2CCCCN2CCOCC2)c1 ZINC001290071851 1061799889 /nfs/dbraw/zinc/79/98/89/1061799889.db2.gz VFXFCJVJDQBGJD-UHFFFAOYSA-N 0 3 456.635 2.808 20 0 JFADHN Cc1cccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H](C(C)C)N2CCCC2)c1 ZINC001290078043 1061807929 /nfs/dbraw/zinc/80/79/29/1061807929.db2.gz QDURBRXDYWKQJW-NRFANRHFSA-N 0 3 461.632 2.521 20 0 JFADHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@@H](C)C2)C1 ZINC001294315672 1061808218 /nfs/dbraw/zinc/80/82/18/1061808218.db2.gz COUPAPPLOSJJAL-BHIFYINESA-N 0 3 487.693 2.767 20 0 JFADHN CC(C)(C)c1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CCN2CC=CCC2)cc1 ZINC001286988656 1061878126 /nfs/dbraw/zinc/87/81/26/1061878126.db2.gz HCGXIZLMPVRURA-UHFFFAOYSA-N 0 3 472.659 2.586 20 0 JFADHN CC(C)(C)C(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC2CC2)CC1 ZINC001286991850 1061891624 /nfs/dbraw/zinc/89/16/24/1061891624.db2.gz NMVAJCBPZSPTSD-WOJBJXKFSA-N 0 3 460.667 2.891 20 0 JFADHN CC(C)(C)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@@H](c1ccco1)N1CCCC1 ZINC001287001214 1061916767 /nfs/dbraw/zinc/91/67/67/1061916767.db2.gz NSFCASRAAGNCRR-SFHVURJKSA-N 0 3 464.636 2.524 20 0 JFADHN Cc1ccccc1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001290179841 1061926742 /nfs/dbraw/zinc/92/67/42/1061926742.db2.gz HCQZINCJCCVNMU-FQEVSTJZSA-N 0 3 454.619 2.657 20 0 JFADHN CC(C)(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O ZINC001287007873 1061932804 /nfs/dbraw/zinc/93/28/04/1061932804.db2.gz KBGSHVBMWNLLCY-RTBURBONSA-N 0 3 466.696 2.700 20 0 JFADHN Cc1ccccc1O[C@@H](C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001290204725 1061948348 /nfs/dbraw/zinc/94/83/48/1061948348.db2.gz NNGHMNFQJCLDFP-VXKWHMMOSA-N 0 3 468.646 2.995 20 0 JFADHN CCCCOc1ncccc1Cn1c(C)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294375744 1061948921 /nfs/dbraw/zinc/94/89/21/1061948921.db2.gz BPYHCBNXBFLWEP-CVDCTZTESA-N 0 3 469.634 2.588 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287040885 1062007942 /nfs/dbraw/zinc/00/79/42/1062007942.db2.gz AWDYBGFTKKJOAM-RBUKOAKNSA-N 0 3 488.599 2.603 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(Cc3cccnc3)n2CCC2(O)CCOCC2)CC1 ZINC001287042070 1062010950 /nfs/dbraw/zinc/01/09/50/1062010950.db2.gz YCIGMTSZIVZTMN-UHFFFAOYSA-N 0 3 456.635 2.754 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCSCCCO)CC1 ZINC001287043273 1062014838 /nfs/dbraw/zinc/01/48/38/1062014838.db2.gz WLNBPHBRERTRSF-UHFFFAOYSA-N 0 3 495.093 2.898 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCCCCC2=O)CC1 ZINC001287043458 1062015076 /nfs/dbraw/zinc/01/50/76/1062015076.db2.gz DLULBPSYLWESNB-UHFFFAOYSA-N 0 3 453.635 2.977 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[C@H](O)C2)CC1 ZINC001287043516 1062015959 /nfs/dbraw/zinc/01/59/59/1062015959.db2.gz GDFGKDYBQDTESI-ROUUACIJSA-N 0 3 460.648 2.741 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)NCc2ccccc2)CC1 ZINC001287044064 1062018339 /nfs/dbraw/zinc/01/83/39/1062018339.db2.gz OJPQQAIYMGPFQJ-UHFFFAOYSA-N 0 3 461.614 2.891 20 0 JFADHN CN(C)[C@H](CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1 ZINC001290306342 1062033569 /nfs/dbraw/zinc/03/35/69/1062033569.db2.gz OTQCPDPHUTVRIP-SFTDATJTSA-N 0 3 452.555 2.743 20 0 JFADHN COc1cc(C(=O)NCC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC001294508809 1062046770 /nfs/dbraw/zinc/04/67/70/1062046770.db2.gz AEVNTBMSMYLLFB-HXUWFJFHSA-N 0 3 455.555 2.565 20 0 JFADHN CCCN(CC)CCn1c(-c2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001294514257 1062049283 /nfs/dbraw/zinc/04/92/83/1062049283.db2.gz PQVNTXUDRVMASX-QHCPKHFHSA-N 0 3 461.632 2.701 20 0 JFADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001294519381 1062056171 /nfs/dbraw/zinc/05/61/71/1062056171.db2.gz DJUOIJQJGXCKOU-JOCHJYFZSA-N 0 3 488.702 2.856 20 0 JFADHN CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCN(C(C)(C)C)CC3)n2CC2(O)CC2)C1 ZINC001287052771 1062057002 /nfs/dbraw/zinc/05/70/02/1062057002.db2.gz JRHNMGATBLQSRJ-SFHVURJKSA-N 0 3 462.639 2.838 20 0 JFADHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001290372391 1062076520 /nfs/dbraw/zinc/07/65/20/1062076520.db2.gz MHEPTDZWSXKZBE-IRXDYDNUSA-N 0 3 454.017 2.945 20 0 JFADHN CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001294588784 1062101184 /nfs/dbraw/zinc/10/11/84/1062101184.db2.gz JODIGQBLNAHQOU-KRWDZBQOSA-N 0 3 461.010 2.961 20 0 JFADHN Cc1nc(-c2ccn(C)n2)sc1CC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC001290415594 1062135406 /nfs/dbraw/zinc/13/54/06/1062135406.db2.gz HRLNQHRYPLWBJI-UHFFFAOYSA-N 0 3 452.628 2.719 20 0 JFADHN Cc1nc(Cc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC(C)(C)N2CCC[C@H](C)C2)cs1 ZINC001290422219 1062161497 /nfs/dbraw/zinc/16/14/97/1062161497.db2.gz WNYSFSIUXKVETK-QFBILLFUSA-N 0 3 480.704 2.768 20 0 JFADHN Cc1nc(Cc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCN(C)Cc2ccc(F)cc2)cs1 ZINC001290431320 1062190764 /nfs/dbraw/zinc/19/07/64/1062190764.db2.gz HOARXFBMYSEJST-SFHVURJKSA-N 0 3 471.606 2.607 20 0 JFADHN Cc1nc(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@]2(O)CCO[C@@H]2C)cs1 ZINC001290434938 1062201539 /nfs/dbraw/zinc/20/15/39/1062201539.db2.gz AFLZPWKVBNIBFL-UZUQRXQVSA-N 0 3 462.664 2.732 20 0 JFADHN CCCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001294659825 1062208237 /nfs/dbraw/zinc/20/82/37/1062208237.db2.gz YEYBTISLWWJFFL-IBGZPJMESA-N 0 3 455.669 2.554 20 0 JFADHN CCCN1CC[C@@H](Cn2c(COc3cc(C)ccc3C)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294670350 1062228191 /nfs/dbraw/zinc/22/81/91/1062228191.db2.gz SMKLCANDIYSGOB-NHCUHLMSSA-N 0 3 475.659 2.829 20 0 JFADHN CCCN1CCC(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([S@](C)=O)CCC2)CC1 ZINC001294675013 1062234963 /nfs/dbraw/zinc/23/49/63/1062234963.db2.gz DJSGGMNGXZMRAG-IANOAQMISA-N 0 3 481.707 2.931 20 0 JFADHN CC(C)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1)C(F)(F)F ZINC001287091409 1062284986 /nfs/dbraw/zinc/28/49/86/1062284986.db2.gz ZHNBAERBPKNSON-MRXNPFEDSA-N 0 3 481.523 2.672 20 0 JFADHN Cc1ncc(CN2CCN(c3nnc(C(=O)NC(C)C)n3CCN(C)Cc3ccccc3)CC2)s1 ZINC001290498807 1062290587 /nfs/dbraw/zinc/29/05/87/1062290587.db2.gz WTRZHNYHJYWDSM-UHFFFAOYSA-N 0 3 496.685 2.635 20 0 JFADHN CC(C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001287099320 1062307931 /nfs/dbraw/zinc/30/79/31/1062307931.db2.gz XMTPICFOIWOYRJ-CQSZACIVSA-N 0 3 470.437 2.699 20 0 JFADHN CCCN1CCCN(c2nnc(Cc3ccncc3)n2CCN(C)Cc2ccccc2)CC1=O ZINC001294735124 1062319247 /nfs/dbraw/zinc/31/92/47/1062319247.db2.gz JAHQURAMGIOVRF-UHFFFAOYSA-N 0 3 461.614 2.845 20 0 JFADHN CC(C)C(=O)N1CCN(c2nnc(C(C)C)n2CCCN2CCN(c3ccccc3)CC2)CC1 ZINC001287114571 1062337821 /nfs/dbraw/zinc/33/78/21/1062337821.db2.gz WIWFECZUWGQKIK-UHFFFAOYSA-N 0 3 467.662 2.918 20 0 JFADHN CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CC=CCC2)CC1 ZINC001287114674 1062338257 /nfs/dbraw/zinc/33/82/57/1062338257.db2.gz NQNPMFIIRQEMLJ-NHCUHLMSSA-N 0 3 458.651 2.763 20 0 JFADHN CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001287119137 1062357798 /nfs/dbraw/zinc/35/77/98/1062357798.db2.gz KDMOUJQAGATEEN-MOPGFXCFSA-N 0 3 470.647 2.784 20 0 JFADHN CCCn1nc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2CC(=O)NC(C)C)c2ccccc2c1=O ZINC001294768369 1062362697 /nfs/dbraw/zinc/36/26/97/1062362697.db2.gz NPYZCRJTZAWZRN-RBUKOAKNSA-N 0 3 494.644 2.509 20 0 JFADHN CCCn1nc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H](C)OC)c2ccccc2c1=O ZINC001294770509 1062368931 /nfs/dbraw/zinc/36/89/31/1062368931.db2.gz GGSKWRKDKZBYOW-LJQANCHMSA-N 0 3 467.618 2.878 20 0 JFADHN CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001287124860 1062384297 /nfs/dbraw/zinc/38/42/97/1062384297.db2.gz WDNUZLATQPEOEZ-PKOBYXMFSA-N 0 3 460.648 2.887 20 0 JFADHN Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(C)C)n3CCCN3CCC[C@@H]3C(=O)N(C)C)C2)n1 ZINC001290581592 1062387881 /nfs/dbraw/zinc/38/78/81/1062387881.db2.gz NRKJVFPIZOGMMR-FGZHOGPDSA-N 0 3 470.666 2.999 20 0 JFADHN Cc1nc(C)n([C@@H]2CCCN(c3nnc(CC(C)C)n3CCN3CCN(C)C(C)(C)C3)C2)n1 ZINC001290583486 1062391432 /nfs/dbraw/zinc/39/14/32/1062391432.db2.gz IKSHGWUPNOYYFJ-OAQYLSRUSA-N 0 3 457.671 2.552 20 0 JFADHN CC(C)C(=O)NCCN(C)c1nnc(-c2cnccn2)n1C[C@@H](c1ccco1)N1CCCCC1 ZINC001287132435 1062433632 /nfs/dbraw/zinc/43/36/32/1062433632.db2.gz HZRWUAXCMMEZDA-FQEVSTJZSA-N 0 3 466.590 2.764 20 0 JFADHN CC(C)C(=O)NCCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCN(C)C(C)(C)C1 ZINC001287133783 1062444543 /nfs/dbraw/zinc/44/45/43/1062444543.db2.gz GOPOVFGZDBBYGE-UHFFFAOYSA-N 0 3 492.672 2.728 20 0 JFADHN CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001294803012 1062449517 /nfs/dbraw/zinc/44/95/17/1062449517.db2.gz JKGVFPPMILILTJ-GMAHTHKFSA-N 0 3 499.679 2.777 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CC[C@H](CC(C)C)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001290624603 1062490258 /nfs/dbraw/zinc/49/02/58/1062490258.db2.gz CVECDNFYLQFZOI-DHIUTWEWSA-N 0 3 484.693 2.955 20 0 JFADHN CCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CC=CCC2)CC1 ZINC001294821788 1062504506 /nfs/dbraw/zinc/50/45/06/1062504506.db2.gz GBYNCDCDROBOIE-UHFFFAOYSA-N 0 3 458.010 2.998 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C)CN2CCCCC2)n1 ZINC001290638329 1062521451 /nfs/dbraw/zinc/52/14/51/1062521451.db2.gz BICKMAXQZRLMJQ-UGKGYDQZSA-N 0 3 491.706 2.665 20 0 JFADHN CCCNC(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001294846756 1062543549 /nfs/dbraw/zinc/54/35/49/1062543549.db2.gz ISHWSEGYJSJBJZ-UHFFFAOYSA-N 0 3 458.607 2.799 20 0 JFADHN CCCNC(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001294847683 1062546827 /nfs/dbraw/zinc/54/68/27/1062546827.db2.gz WNAKTHZCTWQYPI-QZTJIDSGSA-N 0 3 456.591 2.552 20 0 JFADHN CC(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001287158665 1062552508 /nfs/dbraw/zinc/55/25/08/1062552508.db2.gz GWKXPLYRNKYYAN-UXHICEINSA-N 0 3 462.639 2.863 20 0 JFADHN CC(C)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001287177890 1062602279 /nfs/dbraw/zinc/60/22/79/1062602279.db2.gz DUBLLISLDOTOFP-UHFFFAOYSA-N 0 3 499.685 2.792 20 0 JFADHN CCCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001294901457 1062639414 /nfs/dbraw/zinc/63/94/14/1062639414.db2.gz XXSAYCQNXMTIEQ-UHFFFAOYSA-N 0 3 491.681 2.839 20 0 JFADHN CC(C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1Cc1ccc(C[S@](C)=O)cc1 ZINC001287200899 1062640610 /nfs/dbraw/zinc/64/06/10/1062640610.db2.gz JSGSKFBLSTWIIM-NHRFMIRVSA-N 0 3 472.703 2.933 20 0 JFADHN Cc1nnc(N(C)Cc2ccc(Br)s2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001290717311 1062648989 /nfs/dbraw/zinc/64/89/89/1062648989.db2.gz WMXIHKJPMFKBQV-INIZCTEOSA-N 0 3 469.453 2.990 20 0 JFADHN CC(C)c1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001287205246 1062650163 /nfs/dbraw/zinc/65/01/63/1062650163.db2.gz BCLXJSXESOLLAF-FSSWDIPSSA-N 0 3 460.667 2.987 20 0 JFADHN CC(C)c1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001287205248 1062650237 /nfs/dbraw/zinc/65/02/37/1062650237.db2.gz BCLXJSXESOLLAF-YPAWHYETSA-N 0 3 460.667 2.987 20 0 JFADHN Cc1nnc(N(C)CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001290736893 1062657798 /nfs/dbraw/zinc/65/77/98/1062657798.db2.gz GQTUKJXRKYMBLK-FGZHOGPDSA-N 0 3 469.678 2.733 20 0 JFADHN CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@H](C)N(C)c1ccccc1 ZINC001287214670 1062680892 /nfs/dbraw/zinc/68/08/92/1062680892.db2.gz PBHFMDTVWFQFDP-UNMCSNQZSA-N 0 3 453.635 2.669 20 0 JFADHN CC(C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001287222428 1062708785 /nfs/dbraw/zinc/70/87/85/1062708785.db2.gz FAMVAIVTZZMQLX-OAQYLSRUSA-N 0 3 454.619 2.505 20 0 JFADHN Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001290808005 1062709822 /nfs/dbraw/zinc/70/98/22/1062709822.db2.gz AQDAAUIIUUZJJV-QFIPXVFZSA-N 0 3 467.549 2.570 20 0 JFADHN CC(C)c1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@H](c1ccco1)N(C)C ZINC001287223640 1062710253 /nfs/dbraw/zinc/71/02/53/1062710253.db2.gz OTOGLHAFFPXQQG-FCHUYYIVSA-N 0 3 473.666 2.529 20 0 JFADHN CCN1CCN(Cc2ccccc2CNC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)CC1 ZINC001290859876 1062744224 /nfs/dbraw/zinc/74/42/24/1062744224.db2.gz LBKUZPLBGGXPPA-SANMLTNESA-N 0 3 450.627 2.638 20 0 JFADHN CC(C)[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2N(C)CCCC2(C)C)CCO1 ZINC001287273862 1062747337 /nfs/dbraw/zinc/74/73/37/1062747337.db2.gz GJJCBYAQJFUNKN-RTBURBONSA-N 0 3 455.607 2.907 20 0 JFADHN CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C(C)C)C1)N1CCCC1 ZINC001287286714 1062760536 /nfs/dbraw/zinc/76/05/36/1062760536.db2.gz IGJBGCWMSWAXOX-UFYCRDLUSA-N 0 3 469.721 2.878 20 0 JFADHN Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001290881712 1062764458 /nfs/dbraw/zinc/76/44/58/1062764458.db2.gz CJYAOCJYUMHRCA-FQEVSTJZSA-N 0 3 477.451 2.953 20 0 JFADHN CC(C)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(F)cc2)N(C)C)CCO1 ZINC001287296172 1062769079 /nfs/dbraw/zinc/76/90/79/1062769079.db2.gz RBCAGNLINVZSQH-RTWAWAEBSA-N 0 3 458.582 2.704 20 0 JFADHN CCCO[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(N(C)C)CCSC2)CC1 ZINC001294986231 1062773288 /nfs/dbraw/zinc/77/32/88/1062773288.db2.gz DTFOXXBNJPAKAX-WMZHIEFXSA-N 0 3 464.680 2.737 20 0 JFADHN CC(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001287306040 1062776788 /nfs/dbraw/zinc/77/67/88/1062776788.db2.gz IPSFEHUBDRDBEE-VWPQPMDRSA-N 0 3 460.667 2.671 20 0 JFADHN CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N(C)C ZINC001287321576 1062799313 /nfs/dbraw/zinc/79/93/13/1062799313.db2.gz JQVNKWFWGIYXKU-ROUUACIJSA-N 0 3 469.055 2.983 20 0 JFADHN CC(C)Cc1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001287363998 1062829846 /nfs/dbraw/zinc/82/98/46/1062829846.db2.gz PJDAWVDZDQTGJW-OAQYLSRUSA-N 0 3 484.645 2.827 20 0 JFADHN CC(C)Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCCNC(=O)c1cccc(O)c1 ZINC001287418141 1062856396 /nfs/dbraw/zinc/85/63/96/1062856396.db2.gz LPSHALYQWOMYMT-HSZRJFAPSA-N 0 3 497.688 2.607 20 0 JFADHN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001287422257 1062862305 /nfs/dbraw/zinc/86/23/05/1062862305.db2.gz VVEOOWGUGWPUFF-NHCUHLMSSA-N 0 3 457.598 2.959 20 0 JFADHN CC(C)Cc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001287448848 1062885523 /nfs/dbraw/zinc/88/55/23/1062885523.db2.gz XSUMVCNQZGXTGH-FGZHOGPDSA-N 0 3 492.665 2.923 20 0 JFADHN CC(C)Cc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1C[C@@H](c1ccco1)N(C)C ZINC001287457217 1062896255 /nfs/dbraw/zinc/89/62/55/1062896255.db2.gz SILJDGVYSTXVTN-NRFANRHFSA-N 0 3 454.623 2.818 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H](C)Oc1cccc(F)c1 ZINC001287465093 1062910324 /nfs/dbraw/zinc/91/03/24/1062910324.db2.gz VGVRUIOHLXSFDP-HXUWFJFHSA-N 0 3 472.609 2.828 20 0 JFADHN CCN(C)C(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001295084467 1062919621 /nfs/dbraw/zinc/91/96/21/1062919621.db2.gz RXEHUPLSBXIIOZ-QHCPKHFHSA-N 0 3 497.688 2.557 20 0 JFADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1CCCN1C[C@H](C)C[C@H](C)C1 ZINC001291013612 1062921005 /nfs/dbraw/zinc/92/10/05/1062921005.db2.gz PJWDCULWRZTYTO-WCIQWLHISA-N 0 3 455.669 2.757 20 0 JFADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CCCN1C[C@H](C)C[C@H](C)C1 ZINC001291013785 1062921717 /nfs/dbraw/zinc/92/17/17/1062921717.db2.gz RQYQKPXGCJYZQW-VIYGXFRKSA-N 0 3 469.696 2.798 20 0 JFADHN C[C@@H]1C[C@H](C)CN(CCCn2c(CCOc3ccccc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001291014949 1062925194 /nfs/dbraw/zinc/92/51/94/1062925194.db2.gz KTWDBONTRAAKEX-XJUOHMSHSA-N 0 3 489.686 2.891 20 0 JFADHN CC(C)Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1CCCN1CCCCCC1=O ZINC001287482422 1062938955 /nfs/dbraw/zinc/93/89/55/1062938955.db2.gz TVFRBWMKKPZCEA-UHFFFAOYSA-N 0 3 460.667 2.818 20 0 JFADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001291022728 1062941925 /nfs/dbraw/zinc/94/19/25/1062941925.db2.gz KXAOQIMLTGVQSM-GUDVDZBRSA-N 0 3 482.695 2.547 20 0 JFADHN CC(C)CC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001287525219 1062961778 /nfs/dbraw/zinc/96/17/78/1062961778.db2.gz GAXBTGXSZLBEHY-SANMLTNESA-N 0 3 499.660 2.661 20 0 JFADHN CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295166094 1062990315 /nfs/dbraw/zinc/99/03/15/1062990315.db2.gz DGUSHSKLFREICM-PKOBYXMFSA-N 0 3 482.050 2.961 20 0 JFADHN CC(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001287627780 1063008768 /nfs/dbraw/zinc/00/87/68/1063008768.db2.gz KXMAOKVRDPHGNL-NJDAHSKKSA-N 0 3 460.667 2.986 20 0 JFADHN C[C@@H]1CCC[C@](Cn2c(Cc3ccncc3)nnc2N(C)CCCS(C)(=O)=O)(N(C)C)C1 ZINC001291068873 1063017492 /nfs/dbraw/zinc/01/74/92/1063017492.db2.gz TZDZFERAAGYGQC-XXBNENTESA-N 0 3 462.664 2.645 20 0 JFADHN CC(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001287717198 1063048380 /nfs/dbraw/zinc/04/83/80/1063048380.db2.gz SKBTUDKVCGJJTN-IBGZPJMESA-N 0 3 462.545 2.945 20 0 JFADHN CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295228298 1063050493 /nfs/dbraw/zinc/05/04/93/1063050493.db2.gz OVNXLDCREWMBTK-VXKWHMMOSA-N 0 3 474.675 2.645 20 0 JFADHN CCN(c1nnc(Cc2ccncc2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295228532 1063050534 /nfs/dbraw/zinc/05/05/34/1063050534.db2.gz QCUNZUUQHQTZQV-CTNGQTDRSA-N 0 3 460.648 2.542 20 0 JFADHN CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295236202 1063057174 /nfs/dbraw/zinc/05/71/74/1063057174.db2.gz HKKZTLJNFNWPBF-MJGOQNOKSA-N 0 3 451.662 2.676 20 0 JFADHN CC(C)CN1CCC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001287739966 1063064502 /nfs/dbraw/zinc/06/45/02/1063064502.db2.gz BYQWMMOACFNWCA-KNQAVFIVSA-N 0 3 493.649 2.988 20 0 JFADHN C[C@@H]1CCCCN1CCCn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001291099231 1063064738 /nfs/dbraw/zinc/06/47/38/1063064738.db2.gz DGBCHFMPDBFOHR-IEBWSBKVSA-N 0 3 451.662 2.818 20 0 JFADHN C[C@H]([C@H](C)N(C)c1nnc(Cc2cccnc2)n1CCCN1CCCC[C@H]1C)S(C)(=O)=O ZINC001291100292 1063068129 /nfs/dbraw/zinc/06/81/29/1063068129.db2.gz XIXNNLFNAIRCMS-HSALFYBXSA-N 0 3 462.664 2.786 20 0 JFADHN CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCSC(F)(F)F)CC1 ZINC001287742200 1063069137 /nfs/dbraw/zinc/06/91/37/1063069137.db2.gz RFTACZSXVYQRBM-UHFFFAOYSA-N 0 3 457.526 2.956 20 0 JFADHN CC(C)CN1CCN(c2nnc(C(C)(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC001287742573 1063069904 /nfs/dbraw/zinc/06/99/04/1063069904.db2.gz VZFLOPHCZFBWQT-UHFFFAOYSA-N 0 3 467.662 2.702 20 0 JFADHN CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC001287743616 1063070986 /nfs/dbraw/zinc/07/09/86/1063070986.db2.gz YSXYGIZRHMQHNI-UHFFFAOYSA-N 0 3 496.660 2.870 20 0 JFADHN C[C@H]1CCCN(C(C)(C)Cn2c(-c3cnccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291102822 1063078909 /nfs/dbraw/zinc/07/89/09/1063078909.db2.gz TVASCWJJPTVQGC-RBUKOAKNSA-N 0 3 475.663 2.649 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001287760919 1063086453 /nfs/dbraw/zinc/08/64/53/1063086453.db2.gz KODZBPRMTFKKFG-FQEVSTJZSA-N 0 3 472.638 2.856 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001287761430 1063087300 /nfs/dbraw/zinc/08/73/00/1063087300.db2.gz ZVRZYZMRUDSJCY-GOSISDBHSA-N 0 3 453.557 2.946 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001287766628 1063090562 /nfs/dbraw/zinc/09/05/62/1063090562.db2.gz ARJCODKIVYRDMI-QFIPXVFZSA-N 0 3 475.659 2.944 20 0 JFADHN CCN(C1CCN(c2nnc(CC3CC3)n2C[C@H](c2cccs2)N(C)C)CC1)S(C)(=O)=O ZINC001295272432 1063097114 /nfs/dbraw/zinc/09/71/14/1063097114.db2.gz BIDMWHREWBQGBR-LJQANCHMSA-N 0 3 480.704 2.845 20 0 JFADHN CC(C)O[C@@]1(c2nnc(N3CCC[C@@H](C)CC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCOC1 ZINC001291112814 1063116271 /nfs/dbraw/zinc/11/62/71/1063116271.db2.gz RFRDMCWVVIABOU-DRLORSAXSA-N 0 3 490.693 2.888 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1CCN1CCC[C@@H](C)C1 ZINC001291126223 1063153607 /nfs/dbraw/zinc/15/36/07/1063153607.db2.gz IKMPAHPNKQUFHZ-QGZVFWFLSA-N 0 3 463.030 2.840 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCO[C@@H](CCc3ccccc3)C2)n1CCN1CCC[C@@H](C)C1 ZINC001291126421 1063154649 /nfs/dbraw/zinc/15/46/49/1063154649.db2.gz MEBVPPOJVXTSKF-GGAORHGYSA-N 0 3 468.646 2.986 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CC[C@@H](OCc3ccccc3)C2)n1CCN1CCC[C@H](C)C1 ZINC001291126956 1063157953 /nfs/dbraw/zinc/15/79/53/1063157953.db2.gz WHDRCDQTKLNQBF-RBBKRZOGSA-N 0 3 454.619 2.944 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CCN1CCC[C@H](C)C1 ZINC001291127096 1063159129 /nfs/dbraw/zinc/15/91/29/1063159129.db2.gz YQFRHIMKEPQEDB-LEWJYISDSA-N 0 3 481.645 2.638 20 0 JFADHN CCN(CC)C(=O)CCCn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001295313251 1063183509 /nfs/dbraw/zinc/18/35/09/1063183509.db2.gz JHNJPFPMHAHSOJ-HXUWFJFHSA-N 0 3 458.607 2.654 20 0 JFADHN C[C@@H]1CCCN1c1nnc(COc2ccc(F)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291135823 1063188883 /nfs/dbraw/zinc/18/88/83/1063188883.db2.gz KPECHQIBXVEDCD-WIYYLYMNSA-N 0 3 458.582 2.928 20 0 JFADHN C[C@H]1CCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291136567 1063193262 /nfs/dbraw/zinc/19/32/62/1063193262.db2.gz ZLMSKSNQRHWTNG-ZWKOTPCHSA-N 0 3 484.605 2.513 20 0 JFADHN C[C@@H]1CCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291136565 1063193508 /nfs/dbraw/zinc/19/35/08/1063193508.db2.gz ZLMSKSNQRHWTNG-QZTJIDSGSA-N 0 3 484.605 2.513 20 0 JFADHN CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccco2)N(C)C)CC1 ZINC001295327048 1063220340 /nfs/dbraw/zinc/22/03/40/1063220340.db2.gz LVWJBXDRUZMHRO-QFIPXVFZSA-N 0 3 494.644 2.617 20 0 JFADHN C[C@H]1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001291177285 1063265218 /nfs/dbraw/zinc/26/52/18/1063265218.db2.gz PYWLTCAYUKUPFZ-ICSRJNTNSA-N 0 3 458.582 2.785 20 0 JFADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C2=NO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001295342268 1063270370 /nfs/dbraw/zinc/27/03/70/1063270370.db2.gz JCNKUQDZGLGNPH-OSPHWJPCSA-N 0 3 457.575 2.879 20 0 JFADHN CC1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCC2CCOCC2)CC1 ZINC001291182708 1063278352 /nfs/dbraw/zinc/27/83/52/1063278352.db2.gz VDCLWHJXBYBSEA-NRFANRHFSA-N 0 3 467.680 2.555 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001295362931 1063323037 /nfs/dbraw/zinc/32/30/37/1063323037.db2.gz SKPMFALRMITMFL-AWEZNQCLSA-N 0 3 487.468 2.779 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001295362933 1063323545 /nfs/dbraw/zinc/32/35/45/1063323545.db2.gz SKPMFALRMITMFL-CQSZACIVSA-N 0 3 487.468 2.779 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001295365318 1063327817 /nfs/dbraw/zinc/32/78/17/1063327817.db2.gz GXLSTPVCXSIVGM-UYAOXDASSA-N 0 3 485.658 2.806 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001295369295 1063334150 /nfs/dbraw/zinc/33/41/50/1063334150.db2.gz CMABGKFYJBIAAH-FDDCHVKYSA-N 0 3 461.632 2.699 20 0 JFADHN C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001291198420 1063348756 /nfs/dbraw/zinc/34/87/56/1063348756.db2.gz WUXDNVODEFTJKY-IBGZPJMESA-N 0 3 498.632 2.857 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001295378707 1063349344 /nfs/dbraw/zinc/34/93/44/1063349344.db2.gz JAKAUCVAZKFIEE-QFUCXCTJSA-N 0 3 479.622 2.628 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)CC1 ZINC001295379475 1063351049 /nfs/dbraw/zinc/35/10/49/1063351049.db2.gz LZWQTRPTBNEMLS-NHCUHLMSSA-N 0 3 474.675 2.546 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001295380028 1063352320 /nfs/dbraw/zinc/35/23/20/1063352320.db2.gz OLZFHSPHEPSWCW-QRVBRYPASA-N 0 3 455.669 2.694 20 0 JFADHN C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001295383929 1063357659 /nfs/dbraw/zinc/35/76/59/1063357659.db2.gz FYDRBFZTINAPJT-JBACZVJFSA-N 0 3 458.603 2.654 20 0 JFADHN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)c12 ZINC001295384271 1063359296 /nfs/dbraw/zinc/35/92/96/1063359296.db2.gz ISLDQWYUGREPPC-FQEVSTJZSA-N 0 3 454.619 2.997 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001295385572 1063361427 /nfs/dbraw/zinc/36/14/27/1063361427.db2.gz MZXHIVBWJKJYEB-FPOVZHCZSA-N 0 3 463.648 2.828 20 0 JFADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)C2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001291205978 1063366517 /nfs/dbraw/zinc/36/65/17/1063366517.db2.gz QQBDCRRVVUPLHE-IKGGRYGDSA-N 0 3 484.717 2.729 20 0 JFADHN CCN(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)c1ccco1 ZINC001295391694 1063375658 /nfs/dbraw/zinc/37/56/58/1063375658.db2.gz HEIRBXGTAFQCIZ-AZUAARDMSA-N 0 3 471.606 2.844 20 0 JFADHN CCN(CC)[C@@H](Cn1c(C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1)c1ccsc1 ZINC001295395909 1063382270 /nfs/dbraw/zinc/38/22/70/1063382270.db2.gz ANCLUWGDDZHVMG-UWJYYQICSA-N 0 3 459.664 2.520 20 0 JFADHN CCN(CC)[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C(N)=O)C1)c1ccco1 ZINC001295397395 1063383674 /nfs/dbraw/zinc/38/36/74/1063383674.db2.gz MOWNQTWGSXCLFS-MJGOQNOKSA-N 0 3 452.559 2.941 20 0 JFADHN C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291209809 1063385521 /nfs/dbraw/zinc/38/55/21/1063385521.db2.gz RNEQDUMCOLKGKF-SBHAEUEKSA-N 0 3 488.608 2.725 20 0 JFADHN CCN(CC)[C@@H](Cn1c(C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1)c1ccco1 ZINC001295400210 1063386105 /nfs/dbraw/zinc/38/61/05/1063386105.db2.gz ZOMSADBENUXLAT-QFIPXVFZSA-N 0 3 471.650 2.834 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H]1C)c1ccco1 ZINC001295407343 1063398502 /nfs/dbraw/zinc/39/85/02/1063398502.db2.gz SZZOCBKSXWOIKC-PXCRPINLSA-N 0 3 494.662 2.522 20 0 JFADHN CCN(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccsc1 ZINC001295407561 1063399131 /nfs/dbraw/zinc/39/91/31/1063399131.db2.gz WQKGMOPHDPUQMS-RBUKOAKNSA-N 0 3 462.664 2.963 20 0 JFADHN CC(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C)C1)N1CCCC1 ZINC001291214370 1063413411 /nfs/dbraw/zinc/41/34/11/1063413411.db2.gz VFPJYINZZJTXAY-NQIIRXRSSA-N 0 3 461.632 2.694 20 0 JFADHN C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCC2)CC(C)(C)O1 ZINC001291214790 1063419536 /nfs/dbraw/zinc/41/95/36/1063419536.db2.gz DSGNVTCHEUUGDH-SFHVURJKSA-N 0 3 461.632 2.838 20 0 JFADHN CC(C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001291215508 1063427133 /nfs/dbraw/zinc/42/71/33/1063427133.db2.gz QJHCHTXTXZPCMZ-DYESRHJHSA-N 0 3 461.632 2.693 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC001295479287 1063487550 /nfs/dbraw/zinc/48/75/50/1063487550.db2.gz CUPMXUPPZRJGCP-UHFFFAOYSA-N 0 3 482.608 2.765 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 ZINC001295479676 1063488484 /nfs/dbraw/zinc/48/84/84/1063488484.db2.gz HZQDAHWMVZECRI-UHFFFAOYSA-N 0 3 476.025 2.568 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(C)COC2)CC1 ZINC001295480463 1063490304 /nfs/dbraw/zinc/49/03/04/1063490304.db2.gz MLZVLSJTUGZAEF-IBGZPJMESA-N 0 3 488.608 2.584 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2CC2(c3ccccc3C)CCOCC2)CC1 ZINC001295481039 1063492600 /nfs/dbraw/zinc/49/26/00/1063492600.db2.gz SAHMRZCFSHISBC-UHFFFAOYSA-N 0 3 468.646 2.634 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 ZINC001295481746 1063493773 /nfs/dbraw/zinc/49/37/73/1063493773.db2.gz XEPXMQLIFDLIHZ-DEOSSOPVSA-N 0 3 477.053 2.953 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CCOc2ccc(C)cc2)CC1 ZINC001295481895 1063495589 /nfs/dbraw/zinc/49/55/89/1063495589.db2.gz BSOCXIJRGFRLKS-UHFFFAOYSA-N 0 3 479.629 2.661 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2Cc2sccc2C)CC1 ZINC001295481967 1063495750 /nfs/dbraw/zinc/49/57/50/1063495750.db2.gz CRZSBKTWLCEMLP-UHFFFAOYSA-N 0 3 455.632 2.692 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001295482205 1063496948 /nfs/dbraw/zinc/49/69/48/1063496948.db2.gz GBIIOQVKIJJTCR-UHFFFAOYSA-N 0 3 482.633 2.608 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001295482215 1063497843 /nfs/dbraw/zinc/49/78/43/1063497843.db2.gz GGHNGJXENGFKLG-SFHVURJKSA-N 0 3 461.561 2.766 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2C[C@H]2C)CC1 ZINC001295482716 1063505254 /nfs/dbraw/zinc/50/52/54/1063505254.db2.gz YJEONSHAEINALY-MOPGFXCFSA-N 0 3 470.618 2.609 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001295482736 1063505589 /nfs/dbraw/zinc/50/55/89/1063505589.db2.gz YXXZTWAIJPWPSK-OFNKIYASSA-N 0 3 472.634 2.898 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001295482735 1063505837 /nfs/dbraw/zinc/50/58/37/1063505837.db2.gz YXXZTWAIJPWPSK-NZQKXSOJSA-N 0 3 472.634 2.898 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CC3)n2Cc2ccc(OC(F)F)cc2)CC1 ZINC001295483381 1063507225 /nfs/dbraw/zinc/50/72/25/1063507225.db2.gz CUVZGVLYKGBPPZ-UHFFFAOYSA-N 0 3 462.545 2.796 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)c2c(C)noc2C)CC1 ZINC001295484396 1063510609 /nfs/dbraw/zinc/51/06/09/1063510609.db2.gz NCFIAOWIADGTMR-WIYYLYMNSA-N 0 3 487.649 2.919 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2Cc2c(C)coc2C)CC1 ZINC001295484462 1063511408 /nfs/dbraw/zinc/51/14/08/1063511408.db2.gz NWXBHCOIAUFERV-OAQYLSRUSA-N 0 3 458.607 2.768 20 0 JFADHN C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccc(F)cc2)N(C)C)CCN1CC(F)(F)F ZINC001291241232 1063511445 /nfs/dbraw/zinc/51/14/45/1063511445.db2.gz LSAPJHFJJKJLTG-AYOQOUSVSA-N 0 3 497.541 2.744 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCCC2(C)C)CC1 ZINC001295484628 1063511772 /nfs/dbraw/zinc/51/17/72/1063511772.db2.gz PPUPLCWNHCVECS-SANMLTNESA-N 0 3 483.661 2.580 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(F)ccc2SC)CC1 ZINC001295484712 1063512420 /nfs/dbraw/zinc/51/24/20/1063512420.db2.gz QPCAAEWNYWRJDN-GOSISDBHSA-N 0 3 490.649 2.682 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 ZINC001295490589 1063517278 /nfs/dbraw/zinc/51/72/78/1063517278.db2.gz AHZIENSOLQAYAF-RUZDIDTESA-N 0 3 474.650 2.585 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)OC)CC1 ZINC001295490754 1063518437 /nfs/dbraw/zinc/51/84/37/1063518437.db2.gz HEUKDMKDWZILEK-UHFFFAOYSA-N 0 3 478.588 2.563 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001295490768 1063518660 /nfs/dbraw/zinc/51/86/60/1063518660.db2.gz HQAXVPHMPRISAK-HSZRJFAPSA-N 0 3 482.673 2.869 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C)c2)CC1 ZINC001295490932 1063519997 /nfs/dbraw/zinc/51/99/97/1063519997.db2.gz JUUFYDHYFFEAKO-UHFFFAOYSA-N 0 3 461.614 2.611 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CCc2ccsc2)CC1 ZINC001295491000 1063520501 /nfs/dbraw/zinc/52/05/01/1063520501.db2.gz MCXRVJXOLWOVAP-UHFFFAOYSA-N 0 3 467.643 2.559 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)Oc2ccccc2)CC1 ZINC001295491199 1063521756 /nfs/dbraw/zinc/52/17/56/1063521756.db2.gz QLWIPCBNQIEEHH-IFMALSPDSA-N 0 3 470.618 2.588 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(F)cc2)CC1 ZINC001295491614 1063523611 /nfs/dbraw/zinc/52/36/11/1063523611.db2.gz WEISRAWLWMPGDH-UHFFFAOYSA-N 0 3 479.604 2.636 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@H](C)c2c(C)noc2C)CC1 ZINC001295491615 1063523804 /nfs/dbraw/zinc/52/38/04/1063523804.db2.gz WFABEYYLSUCLBA-GOSISDBHSA-N 0 3 459.639 2.876 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001295491835 1063524201 /nfs/dbraw/zinc/52/42/01/1063524201.db2.gz XBAIRZSATAIVPY-FYYLOGMGSA-N 0 3 468.646 2.593 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 ZINC001295491881 1063524812 /nfs/dbraw/zinc/52/48/12/1063524812.db2.gz YKFJKBWBNSNHCI-RUZDIDTESA-N 0 3 489.064 2.782 20 0 JFADHN C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001291275764 1063583826 /nfs/dbraw/zinc/58/38/26/1063583826.db2.gz YVOGMUOZLLWWMZ-FYYLOGMGSA-N 0 3 468.646 2.621 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001295553964 1063587546 /nfs/dbraw/zinc/58/75/46/1063587546.db2.gz NYYBXCSSFQWSOU-KOSHJBKYSA-N 0 3 491.658 2.708 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001295554941 1063589433 /nfs/dbraw/zinc/58/94/33/1063589433.db2.gz MCPFJGIWVXAUIY-OAHLLOKOSA-N 0 3 470.437 2.673 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001295564246 1063597519 /nfs/dbraw/zinc/59/75/19/1063597519.db2.gz SIVOQGMTNYGUEY-BLIXFSHQSA-N 0 3 497.612 2.767 20 0 JFADHN C[C@@H]1CN(CCN(C)c2nnc(-c3ccccc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291290406 1063663854 /nfs/dbraw/zinc/66/38/54/1063663854.db2.gz ZSNFSDAIXBLJQB-CWBXHPNXSA-N 0 3 470.662 2.990 20 0 JFADHN C[C@H]1CSCCN1c1nnc(Cc2ccsc2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291314325 1063746579 /nfs/dbraw/zinc/74/65/79/1063746579.db2.gz ZAYLSJPZSSATPE-HKUYNNGSSA-N 0 3 462.689 2.815 20 0 JFADHN C[C@@H]1N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCC2)CCOC1(C)C ZINC001291316233 1063750512 /nfs/dbraw/zinc/75/05/12/1063750512.db2.gz PKDSYCWJESTYOB-KRWDZBQOSA-N 0 3 461.632 2.837 20 0 JFADHN C[C@H]1N(c2nnc(CCOc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)CCOC1(C)C ZINC001291319906 1063758389 /nfs/dbraw/zinc/75/83/89/1063758389.db2.gz IOOCSPQBJVTCCT-OAQYLSRUSA-N 0 3 470.662 2.929 20 0 JFADHN CCN(C[C@H]1COc2ccccc2O1)c1nnc(C(=O)NC(C)C)n1CCN1CCCCC1 ZINC001295766149 1063773748 /nfs/dbraw/zinc/77/37/48/1063773748.db2.gz IZOXWWURMUOOIO-IBGZPJMESA-N 0 3 456.591 2.569 20 0 JFADHN CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001291340668 1063818348 /nfs/dbraw/zinc/81/83/48/1063818348.db2.gz OIBLTXFCESVBFM-HXUWFJFHSA-N 0 3 466.565 2.501 20 0 JFADHN CCN(CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCCC2)CC1)C(=O)OC(C)(C)C ZINC001295816634 1063822444 /nfs/dbraw/zinc/82/24/44/1063822444.db2.gz ZBIBAKSMMCAOTR-UHFFFAOYSA-N 0 3 489.665 2.836 20 0 JFADHN CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](n2cncn2)C1)C(C)C ZINC001295827524 1063837163 /nfs/dbraw/zinc/83/71/63/1063837163.db2.gz PHFXONXYSJLQEF-FQEVSTJZSA-N 0 3 486.646 2.512 20 0 JFADHN CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](n2cncn2)C1)C(C)C ZINC001295827527 1063837966 /nfs/dbraw/zinc/83/79/66/1063837966.db2.gz PHFXONXYSJLQEF-HXUWFJFHSA-N 0 3 486.646 2.512 20 0 JFADHN CCN(CCn1c(-c2ccccc2OC)nnc1N1CCN2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001295836229 1063853462 /nfs/dbraw/zinc/85/34/62/1063853462.db2.gz PRZCYTKBDWRXBL-SFHVURJKSA-N 0 3 482.551 2.749 20 0 JFADHN COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3C[C@@H](SC)[C@H]([NH+](C)C)C3)c2)c1 ZINC001295851110 1063875233 /nfs/dbraw/zinc/87/52/33/1063875233.db2.gz CGAKLHBIGMDXQJ-TZIWHRDSSA-N 0 3 459.568 2.779 20 0 JFADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(Cl)ccn1)C(C)C ZINC001295851152 1063875829 /nfs/dbraw/zinc/87/58/29/1063875829.db2.gz BYRMZHQBBKHBHL-MRXNPFEDSA-N 0 3 455.028 2.595 20 0 JFADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(F)c1)C(C)C ZINC001295853784 1063881584 /nfs/dbraw/zinc/88/15/84/1063881584.db2.gz RYVCALQKSCTQFH-GOSISDBHSA-N 0 3 467.611 2.695 20 0 JFADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2ccccc2)C1)C(C)C ZINC001295858506 1063888935 /nfs/dbraw/zinc/88/89/35/1063888935.db2.gz ZBXVAZBRVHCFMS-RDPSFJRHSA-N 0 3 475.659 2.663 20 0 JFADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2ccccc2)C1)C(C)C ZINC001295858509 1063889061 /nfs/dbraw/zinc/88/90/61/1063889061.db2.gz ZBXVAZBRVHCFMS-YKSBVNFPSA-N 0 3 475.659 2.663 20 0 JFADHN CCN(CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001295866475 1063901629 /nfs/dbraw/zinc/90/16/29/1063901629.db2.gz XSYMGXBGRLQRLA-HXUWFJFHSA-N 0 3 467.611 2.740 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(Br)s2)n1C[C@H](C1CC1)N(C)C ZINC001295878292 1063920157 /nfs/dbraw/zinc/92/01/57/1063920157.db2.gz QSQJGTQGIAEXGU-CQSZACIVSA-N 0 3 490.493 2.980 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C1CC1)N(C)C ZINC001295878290 1063920215 /nfs/dbraw/zinc/92/02/15/1063920215.db2.gz QSQJGTQGIAEXGU-AWEZNQCLSA-N 0 3 490.493 2.980 20 0 JFADHN CCOc1ccc(C(=O)NCC(=O)Nc2ccc(CN3CCC(O)CC3)cc2)cc1OCC ZINC001295882413 1063930289 /nfs/dbraw/zinc/93/02/89/1063930289.db2.gz VBKACLYPHQTVPU-UHFFFAOYSA-N 0 3 455.555 2.809 20 0 JFADHN CCn1cc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)cn1 ZINC001295915303 1063967324 /nfs/dbraw/zinc/96/73/24/1063967324.db2.gz MTKNBSDCNTYMAX-SFHLNBCPSA-N 0 3 491.706 2.790 20 0 JFADHN CC[C@H](C)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)OC ZINC001291411024 1063986747 /nfs/dbraw/zinc/98/67/47/1063986747.db2.gz FMHDMBZLLCPSJM-PMOQBDJRSA-N 0 3 484.645 2.758 20 0 JFADHN CC[C@H](C)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CCCN1CCN(CC)CC1 ZINC001291435257 1064015909 /nfs/dbraw/zinc/01/59/09/1064015909.db2.gz ZXVKRTZHCXXQLO-VXKWHMMOSA-N 0 3 469.682 2.714 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)Nc2ccccc2)C[C@H]1C ZINC001295975522 1064020255 /nfs/dbraw/zinc/02/02/55/1064020255.db2.gz CSVKUGJLCADHSX-RTBURBONSA-N 0 3 476.585 2.873 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(Br)c3)n2Cc2nncn2C)C[C@H]1C ZINC001295976070 1064021090 /nfs/dbraw/zinc/02/10/90/1064021090.db2.gz CFQPPBFATWELGK-CABCVRRESA-N 0 3 459.396 2.803 20 0 JFADHN CC[C@@H](C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 ZINC001291457788 1064024249 /nfs/dbraw/zinc/02/42/49/1064024249.db2.gz SWKQUXAJQBCIQQ-ZLNRFVROSA-N 0 3 498.720 2.922 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC001295977866 1064024460 /nfs/dbraw/zinc/02/44/60/1064024460.db2.gz QGRKKPLZRVDKAD-ULQDDVLXSA-N 0 3 480.455 2.675 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001295977596 1064024519 /nfs/dbraw/zinc/02/45/19/1064024519.db2.gz OTUVDTMCCIENDF-VQTJNVASSA-N 0 3 456.635 2.983 20 0 JFADHN CC[C@H](C)c1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)N1CCOCC1 ZINC001291458469 1064024946 /nfs/dbraw/zinc/02/49/46/1064024946.db2.gz HXAFJFWUZCHVDL-OQLXKQOESA-N 0 3 472.682 2.765 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)C(C)C)C[C@@H]1C ZINC001295978844 1064027073 /nfs/dbraw/zinc/02/70/73/1064027073.db2.gz TYGWXUYTTQGGAL-IUKKYPGJSA-N 0 3 463.648 2.675 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2CC2)C[C@@H]1C ZINC001295978830 1064027158 /nfs/dbraw/zinc/02/71/58/1064027158.db2.gz TVPRRBAXDFDIOY-ROUUACIJSA-N 0 3 460.648 2.914 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)C[C@@H]1C ZINC001295980173 1064029578 /nfs/dbraw/zinc/02/95/78/1064029578.db2.gz QVMDUSVTEUKKIL-FDFHNCONSA-N 0 3 497.688 2.604 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)C[C@H]1C ZINC001295980175 1064029703 /nfs/dbraw/zinc/02/97/03/1064029703.db2.gz QVMDUSVTEUKKIL-FSSWDIPSSA-N 0 3 497.688 2.604 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(C)CCCO2)C[C@H]1C ZINC001295980347 1064030162 /nfs/dbraw/zinc/03/01/62/1064030162.db2.gz YQBJKLSKZCOZCN-YDIMBITNSA-N 0 3 490.674 2.683 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001295980678 1064031095 /nfs/dbraw/zinc/03/10/95/1064031095.db2.gz RAEWKSUZZYNQTC-MOPGFXCFSA-N 0 3 477.654 2.690 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC1(COC)CCC1 ZINC001291470379 1064031483 /nfs/dbraw/zinc/03/14/83/1064031483.db2.gz PGBPJOQPYUPHOM-JAXLGGSGSA-N 0 3 460.667 2.987 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CCc1nccs1 ZINC001291470922 1064032423 /nfs/dbraw/zinc/03/24/23/1064032423.db2.gz XDONRGYMLPMNEU-NSHGMRRFSA-N 0 3 459.664 2.870 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C ZINC001295981460 1064032688 /nfs/dbraw/zinc/03/26/88/1064032688.db2.gz ACTDTPWPTCHGHR-IRXDYDNUSA-N 0 3 455.994 2.968 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)C[C@H]1C ZINC001295981469 1064032766 /nfs/dbraw/zinc/03/27/66/1064032766.db2.gz VDTXTKZEYBJJDI-FYQPLNBISA-N 0 3 466.696 2.699 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCOC[C@@H]1CCCO1 ZINC001291471089 1064033357 /nfs/dbraw/zinc/03/33/57/1064033357.db2.gz YVTYJBLXKIVZCC-WMIMKTLMSA-N 0 3 490.693 2.756 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001295982169 1064034136 /nfs/dbraw/zinc/03/41/36/1064034136.db2.gz WMHQQJPGWRUOBB-PMACEKPBSA-N 0 3 470.618 2.608 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2cnn(C)n2)C[C@H]1C ZINC001295982283 1064034660 /nfs/dbraw/zinc/03/46/60/1064034660.db2.gz DCELPSBGNOMLJV-MSOLQXFVSA-N 0 3 468.606 2.643 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2ccccc2F)C[C@@H]1C ZINC001295982471 1064035208 /nfs/dbraw/zinc/03/52/08/1064035208.db2.gz TUXCMZFNHMZBPW-BZSNNMDCSA-N 0 3 466.627 2.579 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001295983155 1064036550 /nfs/dbraw/zinc/03/65/50/1064036550.db2.gz YJSLAMHKDBWRAC-DLBZAZTESA-N 0 3 482.555 2.729 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2nncn2C)C[C@@H]1C ZINC001295983089 1064037623 /nfs/dbraw/zinc/03/76/23/1064037623.db2.gz HFXAIHJCNMPSDI-ZWKOTPCHSA-N 0 3 468.606 2.837 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(O)CCOC2)C[C@H]1C ZINC001295983098 1064037688 /nfs/dbraw/zinc/03/76/88/1064037688.db2.gz HFZYMLCBRIFVBN-WIEQDCTASA-N 0 3 482.398 2.917 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)C[C@H]1C ZINC001295984098 1064041215 /nfs/dbraw/zinc/04/12/15/1064041215.db2.gz LCOFTOFIMHDHFX-IAGOWNOFSA-N 0 3 458.998 2.692 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCOCC2(C)C)C[C@@H]1C ZINC001295984125 1064041272 /nfs/dbraw/zinc/04/12/72/1064041272.db2.gz LOBBPFLGIMXOSR-PMACEKPBSA-N 0 3 486.661 2.992 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@](C)(O)CC)C[C@H]1C ZINC001295984521 1064041865 /nfs/dbraw/zinc/04/18/65/1064041865.db2.gz ZEIFHNMETIPCJR-DGGJZMOXSA-N 0 3 477.679 2.627 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cc(C)nn2C)C[C@H]1C ZINC001295987167 1064043076 /nfs/dbraw/zinc/04/30/76/1064043076.db2.gz YXAMCTFPTYBICI-MSOLQXFVSA-N 0 3 453.591 2.971 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCOCCCO)C[C@@H]1C ZINC001295987171 1064043563 /nfs/dbraw/zinc/04/35/63/1064043563.db2.gz ZAMLHJRDOYPJRI-DLBZAZTESA-N 0 3 451.999 2.925 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3noc4c3COCC4)n2CCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001295991197 1064045959 /nfs/dbraw/zinc/04/59/59/1064045959.db2.gz AKKGORHZPLXMSJ-DLBZAZTESA-N 0 3 489.621 2.840 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2COCCO2)C[C@H]1C ZINC001295992906 1064047809 /nfs/dbraw/zinc/04/78/09/1064047809.db2.gz BKEIWXIGQWKEQT-ANULTFPQSA-N 0 3 492.665 2.727 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCOC2)C[C@@H]1C ZINC001295993029 1064047952 /nfs/dbraw/zinc/04/79/52/1064047952.db2.gz BUEINEOCDPOXNW-HAGHYFMRSA-N 0 3 478.638 2.542 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CCSCCCO)C[C@H]1C ZINC001295996128 1064051875 /nfs/dbraw/zinc/05/18/75/1064051875.db2.gz MKTXNJGKWCMDDK-MOPGFXCFSA-N 0 3 499.685 2.709 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)C[C@@H]1C ZINC001295997410 1064053124 /nfs/dbraw/zinc/05/31/24/1064053124.db2.gz QQLOJENOMGGUBS-RLFYNMQTSA-N 0 3 465.524 2.805 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOC)C[C@@H]1C ZINC001295996944 1064053294 /nfs/dbraw/zinc/05/32/94/1064053294.db2.gz NSYVTKFXVRWOEK-ZWKOTPCHSA-N 0 3 450.628 2.958 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001295997737 1064054311 /nfs/dbraw/zinc/05/43/11/1064054311.db2.gz RWGCZHBWZTZPIL-CPLUKWAASA-N 0 3 475.588 2.729 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCCCOC)C[C@@H]1C ZINC001295998696 1064056218 /nfs/dbraw/zinc/05/62/18/1064056218.db2.gz VAVOSVWGKNTLBQ-ZWKOTPCHSA-N 0 3 453.591 2.538 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC(F)F)C[C@H]1C ZINC001295998990 1064056252 /nfs/dbraw/zinc/05/62/52/1064056252.db2.gz YHSDKEMYQPLPBA-QZTJIDSGSA-N 0 3 478.592 2.653 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cc(F)c(F)c2F)C[C@H]1C ZINC001295999717 1064056638 /nfs/dbraw/zinc/05/66/38/1064056638.db2.gz XEVVWAFJUDHSFP-WQGACYEGSA-N 0 3 454.472 2.753 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CCCN1CCN(CC)CC1 ZINC001291508022 1064059254 /nfs/dbraw/zinc/05/92/54/1064059254.db2.gz DZLMNPRSKYZMOY-OAQYLSRUSA-N 0 3 459.683 2.801 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)nc2OC)C[C@@H]1C ZINC001296003664 1064059441 /nfs/dbraw/zinc/05/94/41/1064059441.db2.gz VHXROIAJGRGEDF-ROUUACIJSA-N 0 3 451.575 2.643 20 0 JFADHN CC[C@@H](C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CC(=O)NC1CCCCC1 ZINC001291509641 1064061020 /nfs/dbraw/zinc/06/10/20/1064061020.db2.gz HPJLKJYYZNCLKH-IFMALSPDSA-N 0 3 459.683 2.845 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1C ZINC001296008851 1064063020 /nfs/dbraw/zinc/06/30/20/1064063020.db2.gz BUHCXTQUJKOPIL-FBROZUCGSA-N 0 3 457.619 2.933 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCO[C@H]2C)C[C@@H]1C ZINC001296008849 1064063048 /nfs/dbraw/zinc/06/30/48/1064063048.db2.gz BUHCXTQUJKOPIL-AIFLQVKLSA-N 0 3 457.619 2.933 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2ccc(OC)cc2)C[C@H]1C ZINC001296009325 1064063906 /nfs/dbraw/zinc/06/39/06/1064063906.db2.gz JUGIKQZGTRTXSE-HSALFYBXSA-N 0 3 470.618 2.796 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2ccc(OC)cc2)C[C@H]1C ZINC001296009324 1064064046 /nfs/dbraw/zinc/06/40/46/1064064046.db2.gz JUGIKQZGTRTXSE-AABGKKOBSA-N 0 3 470.618 2.796 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1C ZINC001296009410 1064064440 /nfs/dbraw/zinc/06/44/40/1064064440.db2.gz GADOHKFVPISREY-IZZGNVEXSA-N 0 3 457.619 2.933 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001296009390 1064064486 /nfs/dbraw/zinc/06/44/86/1064064486.db2.gz FURBZMCVJSUZTI-RTWAWAEBSA-N 0 3 492.690 2.721 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[C@@H]2COCCO2)C[C@@H]1C ZINC001296009566 1064065339 /nfs/dbraw/zinc/06/53/39/1064065339.db2.gz LNYLBQVIKDUMRK-SXWKCWPCSA-N 0 3 457.619 2.796 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C ZINC001296009624 1064065441 /nfs/dbraw/zinc/06/54/41/1064065441.db2.gz HTZORYGPYDWSKW-LEWJYISDSA-N 0 3 484.645 2.675 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCCN1CCc2ccccc2C1 ZINC001291514487 1064067674 /nfs/dbraw/zinc/06/76/74/1064067674.db2.gz UKGKDHFUHYRHHX-IBGZPJMESA-N 0 3 474.675 2.758 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001296010828 1064069713 /nfs/dbraw/zinc/06/97/13/1064069713.db2.gz MJNHCLWDAFNKMR-MOPGFXCFSA-N 0 3 468.577 2.971 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001296010866 1064070128 /nfs/dbraw/zinc/07/01/28/1064070128.db2.gz MYOKQDXRPVEYKO-RBUKOAKNSA-N 0 3 499.626 2.984 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296011204 1064070201 /nfs/dbraw/zinc/07/02/01/1064070201.db2.gz UIVMAMFYJYYXCW-CVEARBPZSA-N 0 3 459.545 2.650 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCC(=O)N(C)C)c2)C[C@H]1C ZINC001296012328 1064072686 /nfs/dbraw/zinc/07/26/86/1064072686.db2.gz JTXVYQPSYNTKPF-WOIUINJBSA-N 0 3 470.618 2.564 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2cccs2)C[C@H]1C ZINC001296012572 1064073074 /nfs/dbraw/zinc/07/30/74/1064073074.db2.gz UAWAYJQVWWWMFD-MOPGFXCFSA-N 0 3 470.647 2.550 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2ccc(F)cc2)C[C@@H]1C ZINC001296013136 1064073979 /nfs/dbraw/zinc/07/39/79/1064073979.db2.gz MHILNJZRMGEOBP-ZFJITXNASA-N 0 3 475.609 2.968 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC001296013618 1064074534 /nfs/dbraw/zinc/07/45/34/1064074534.db2.gz OIAVSHUQTYOLNI-SRYPRDQNSA-N 0 3 476.666 2.760 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCCOc2cccc(OC)c2)C[C@H]1C ZINC001296014573 1064076479 /nfs/dbraw/zinc/07/64/79/1064076479.db2.gz YJZIIUGMRBWYJD-WOJBJXKFSA-N 0 3 470.618 2.797 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](F)COC)C[C@@H]1C ZINC001296016843 1064078010 /nfs/dbraw/zinc/07/80/10/1064078010.db2.gz VPTYATMEIUUTOH-LTFXXXRZSA-N 0 3 468.618 2.952 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2Cc2conc2COC)C[C@@H]1C ZINC001296016994 1064078271 /nfs/dbraw/zinc/07/82/71/1064078271.db2.gz WNLYRBDTIFYIID-ZWKOTPCHSA-N 0 3 470.574 2.967 20 0 JFADHN CC[C@H](C)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001291560271 1064092353 /nfs/dbraw/zinc/09/23/53/1064092353.db2.gz QVNORTLBRZZSIJ-VXKWHMMOSA-N 0 3 461.699 2.760 20 0 JFADHN CCN1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H](C)CS(=O)(=O)CC)C1 ZINC001296036083 1064095328 /nfs/dbraw/zinc/09/53/28/1064095328.db2.gz HASUNPBRNKHMGF-HZPDHXFCSA-N 0 3 455.028 2.595 20 0 JFADHN CCN1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)C1 ZINC001296036081 1064095377 /nfs/dbraw/zinc/09/53/77/1064095377.db2.gz HASUNPBRNKHMGF-HOTGVXAUSA-N 0 3 455.028 2.595 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCc1ccc(OC)c(F)c1 ZINC001291578234 1064103126 /nfs/dbraw/zinc/10/31/26/1064103126.db2.gz CNOFNSPRICAOEQ-NQIIRXRSSA-N 0 3 472.609 2.925 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCc1ccc(OC)c(F)c1 ZINC001291578235 1064103172 /nfs/dbraw/zinc/10/31/72/1064103172.db2.gz CNOFNSPRICAOEQ-RXVVDRJESA-N 0 3 472.609 2.925 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1ccnc(SC)c1 ZINC001291578572 1064104171 /nfs/dbraw/zinc/10/41/71/1064104171.db2.gz FFWHRDAYPLFQEY-PKOBYXMFSA-N 0 3 457.648 2.700 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCc1nc(C)c(C)s1 ZINC001291582169 1064113179 /nfs/dbraw/zinc/11/31/79/1064113179.db2.gz UJSORJMHNGSZCD-APWZRJJASA-N 0 3 459.664 2.850 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291582573 1064114085 /nfs/dbraw/zinc/11/40/85/1064114085.db2.gz XXCZFPKGLLENNE-NHCUHLMSSA-N 0 3 484.645 2.961 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291582573 1064114095 /nfs/dbraw/zinc/11/40/95/1064114095.db2.gz XXCZFPKGLLENNE-NHCUHLMSSA-N 0 3 484.645 2.961 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291582572 1064114116 /nfs/dbraw/zinc/11/41/16/1064114116.db2.gz XXCZFPKGLLENNE-LEWJYISDSA-N 0 3 484.645 2.961 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291582572 1064114122 /nfs/dbraw/zinc/11/41/22/1064114122.db2.gz XXCZFPKGLLENNE-LEWJYISDSA-N 0 3 484.645 2.961 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)COC)CC2)n1C[C@@H](c1ccccc1OC)N1CCCC1 ZINC001291583242 1064115732 /nfs/dbraw/zinc/11/57/32/1064115732.db2.gz QHTXQOVGAHTWIU-IRLDBZIGSA-N 0 3 484.645 2.932 20 0 JFADHN CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001296054417 1064115740 /nfs/dbraw/zinc/11/57/40/1064115740.db2.gz AVIVJUXCKKSDIU-NNWRFLSQSA-N 0 3 470.618 2.872 20 0 JFADHN CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001296056343 1064117583 /nfs/dbraw/zinc/11/75/83/1064117583.db2.gz KXSDQPBIWCDWEL-TYFQNXAESA-N 0 3 481.626 2.784 20 0 JFADHN CCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(O)(Cc2ccccc2F)CC1 ZINC001296057410 1064119669 /nfs/dbraw/zinc/11/96/69/1064119669.db2.gz XXBYAHMKDXSEDF-FQEVSTJZSA-N 0 3 472.609 2.614 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001291590368 1064123295 /nfs/dbraw/zinc/12/32/95/1064123295.db2.gz VKPRMZLTOSLWNZ-RBBKRZOGSA-N 0 3 470.618 2.971 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291590462 1064123965 /nfs/dbraw/zinc/12/39/65/1064123965.db2.gz XEDHZCDLYAZQGM-VQTJNVASSA-N 0 3 491.681 2.791 20 0 JFADHN CCN(C(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001296066439 1064132003 /nfs/dbraw/zinc/13/20/03/1064132003.db2.gz XZHNLGOCCKARNO-JOCHJYFZSA-N 0 3 457.596 2.681 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001296074534 1064140477 /nfs/dbraw/zinc/14/04/77/1064140477.db2.gz LIQYYLJOEUSKCV-KGMZSHBCSA-N 0 3 472.659 2.762 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001296078920 1064145588 /nfs/dbraw/zinc/14/55/88/1064145588.db2.gz AIXYRWTTYUNQGM-TZIWHRDSSA-N 0 3 467.618 2.723 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC001291644323 1064197844 /nfs/dbraw/zinc/19/78/44/1064197844.db2.gz OBCWXWCEEVVUAO-KNQAVFIVSA-N 0 3 490.674 2.719 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 ZINC001291644324 1064197850 /nfs/dbraw/zinc/19/78/50/1064197850.db2.gz OBCWXWCEEVVUAO-SIKLNZKXSA-N 0 3 490.674 2.719 20 0 JFADHN CCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCN(C)C(C)(C)C2)CC1=O ZINC001296117654 1064198355 /nfs/dbraw/zinc/19/83/55/1064198355.db2.gz TZTVMGVKAXUXPN-UHFFFAOYSA-N 0 3 497.688 2.559 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cc(F)ccc3Br)nnc2N(C)CCOC)CC1 ZINC001296120055 1064207353 /nfs/dbraw/zinc/20/73/53/1064207353.db2.gz DFZJIOVKQTVGHR-MRXNPFEDSA-N 0 3 483.430 2.955 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001296120378 1064209419 /nfs/dbraw/zinc/20/94/19/1064209419.db2.gz IHQDWRANOVPOTE-QFIPXVFZSA-N 0 3 467.662 2.780 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)C2CC2)CC1 ZINC001296121814 1064213689 /nfs/dbraw/zinc/21/36/89/1064213689.db2.gz QZFONFYFXMJFDU-OAHLLOKOSA-N 0 3 450.429 2.671 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001296122347 1064214566 /nfs/dbraw/zinc/21/45/66/1064214566.db2.gz VXNAINAMJUSWDV-OALUTQOASA-N 0 3 474.053 2.682 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296125185 1064218440 /nfs/dbraw/zinc/21/84/40/1064218440.db2.gz LDWIREGLSNHEEC-ZWKOTPCHSA-N 0 3 463.026 2.858 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001296125297 1064218687 /nfs/dbraw/zinc/21/86/87/1064218687.db2.gz LUCNMUNAFYDOBO-OALUTQOASA-N 0 3 462.042 2.882 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001296125294 1064218717 /nfs/dbraw/zinc/21/87/17/1064218717.db2.gz LUCNMUNAFYDOBO-MOPGFXCFSA-N 0 3 462.042 2.882 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@@H](OCCOC)C2)CC1 ZINC001296125236 1064218787 /nfs/dbraw/zinc/21/87/87/1064218787.db2.gz LKZUGSXZNLMZQA-WOJBJXKFSA-N 0 3 477.053 2.866 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc4ccccc4n3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001296125555 1064219235 /nfs/dbraw/zinc/21/92/35/1064219235.db2.gz MOBMYPYUIVTBSM-NRFANRHFSA-N 0 3 492.672 2.728 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001296125570 1064219598 /nfs/dbraw/zinc/21/95/98/1064219598.db2.gz MUSHGNSEPDCKJD-IEBWSBKVSA-N 0 3 462.042 2.881 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001296126026 1064220012 /nfs/dbraw/zinc/22/00/12/1064220012.db2.gz OQZOFFSVCSEMNL-GOSISDBHSA-N 0 3 483.617 2.921 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001296126428 1064220438 /nfs/dbraw/zinc/22/04/38/1064220438.db2.gz PZVFKKQGCYRESS-IBGZPJMESA-N 0 3 472.634 2.951 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CCCC(=O)NC)CC1 ZINC001296126841 1064220817 /nfs/dbraw/zinc/22/08/17/1064220817.db2.gz RWIZWZLBNPTKTF-SFHVURJKSA-N 0 3 462.042 2.587 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001296128055 1064222432 /nfs/dbraw/zinc/22/24/32/1064222432.db2.gz XLQUUMHXIKKNIL-QFIPXVFZSA-N 0 3 481.689 2.974 20 0 JFADHN CC[C@H](C)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CC=CCC1 ZINC001291705706 1064223142 /nfs/dbraw/zinc/22/31/42/1064223142.db2.gz UZQAZDIICNLPQI-IBGZPJMESA-N 0 3 460.648 2.940 20 0 JFADHN CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001296130770 1064224091 /nfs/dbraw/zinc/22/40/91/1064224091.db2.gz FTIMXEQFBUFLMR-HXUWFJFHSA-N 0 3 466.634 2.740 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCN(Cc3cnc(C)s3)CC2)CC1 ZINC001296130960 1064224769 /nfs/dbraw/zinc/22/47/69/1064224769.db2.gz GVRLFKXUILOUEK-HXUWFJFHSA-N 0 3 474.723 2.590 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC001296131209 1064224929 /nfs/dbraw/zinc/22/49/29/1064224929.db2.gz IMKGYFRTGREJPJ-FCHUYYIVSA-N 0 3 492.672 2.955 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC001296131211 1064225119 /nfs/dbraw/zinc/22/51/19/1064225119.db2.gz IMKGYFRTGREJPJ-VXKWHMMOSA-N 0 3 492.672 2.955 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N(C)Cc2cnn(-c3ccccc3)n2)CC1 ZINC001296131319 1064225372 /nfs/dbraw/zinc/22/53/72/1064225372.db2.gz JNPOBYKEGUWKNI-NRFANRHFSA-N 0 3 465.650 2.720 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCC(C)(c3nc(C)no3)CC2)CC1 ZINC001296131560 1064226409 /nfs/dbraw/zinc/22/64/09/1064226409.db2.gz LRZAFTBSIQVVAD-LJQANCHMSA-N 0 3 458.655 2.752 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccc3C)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296132040 1064228305 /nfs/dbraw/zinc/22/83/05/1064228305.db2.gz QGAYBGIDIMMISS-OAQYLSRUSA-N 0 3 475.632 2.590 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001296132099 1064228366 /nfs/dbraw/zinc/22/83/66/1064228366.db2.gz QXKCWYGJIZHFTN-SQNIBIBYSA-N 0 3 463.721 2.990 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296132291 1064229604 /nfs/dbraw/zinc/22/96/04/1064229604.db2.gz AOWCXZOIMXUNRH-NBGIEHNGSA-N 0 3 485.702 2.607 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001296132554 1064230286 /nfs/dbraw/zinc/23/02/86/1064230286.db2.gz BKJUHQSIZZERMG-QFIPXVFZSA-N 0 3 497.688 2.605 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001296132632 1064231171 /nfs/dbraw/zinc/23/11/71/1064231171.db2.gz CGIPUOCPSBWRDX-GOTSBHOMSA-N 0 3 497.688 2.557 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC1 ZINC001296132697 1064231686 /nfs/dbraw/zinc/23/16/86/1064231686.db2.gz VBUMWXPWASBIQY-RLSLOFABSA-N 0 3 475.682 2.606 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001296132927 1064232147 /nfs/dbraw/zinc/23/21/47/1064232147.db2.gz FABSAUUGUYIILX-FSSWDIPSSA-N 0 3 456.635 2.805 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296132873 1064232308 /nfs/dbraw/zinc/23/23/08/1064232308.db2.gz XDFYJIYBJAKCGP-QRVBRYPASA-N 0 3 462.589 2.787 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N(C)CCN2CCOC(C)(C)C2)CC1 ZINC001296132943 1064232583 /nfs/dbraw/zinc/23/25/83/1064232583.db2.gz FCAQUBBXTSHUIX-QFIPXVFZSA-N 0 3 475.726 2.584 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC001296133008 1064232624 /nfs/dbraw/zinc/23/26/24/1064232624.db2.gz SGJJUQYUVBUJNV-LJQANCHMSA-N 0 3 453.635 2.568 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C(N)=O)(c3ccccc3)CC2)CC1 ZINC001296133273 1064233011 /nfs/dbraw/zinc/23/30/11/1064233011.db2.gz YYMUWRGOLRLBKQ-JOCHJYFZSA-N 0 3 495.716 2.916 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001296133359 1064233050 /nfs/dbraw/zinc/23/30/50/1064233050.db2.gz ZTFWBKNBDALAFA-FQEVSTJZSA-N 0 3 488.652 2.869 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296133547 1064233670 /nfs/dbraw/zinc/23/36/70/1064233670.db2.gz IKDFAHXIQPHKER-CEMLEFRQSA-N 0 3 490.693 2.612 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2Nc2cnn(C)c2)CC1 ZINC001296133593 1064233992 /nfs/dbraw/zinc/23/39/92/1064233992.db2.gz JMNBAEJJOUCNMD-FQEVSTJZSA-N 0 3 452.607 2.977 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296133598 1064234288 /nfs/dbraw/zinc/23/42/88/1064234288.db2.gz JNXNFROKTUWPKE-FGZHOGPDSA-N 0 3 456.635 2.725 20 0 JFADHN CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001296134674 1064236598 /nfs/dbraw/zinc/23/65/98/1064236598.db2.gz ZMTRTGVPNBPYOX-UWJYYQICSA-N 0 3 475.588 2.560 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001296134938 1064237627 /nfs/dbraw/zinc/23/76/27/1064237627.db2.gz TUHQUROUDRTMRG-DHLKQENFSA-N 0 3 472.682 2.561 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296135473 1064239652 /nfs/dbraw/zinc/23/96/52/1064239652.db2.gz YYGUDOZQDVQKRL-QMCAAQAGSA-N 0 3 462.683 2.836 20 0 JFADHN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCCO2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001296135779 1064240571 /nfs/dbraw/zinc/24/05/71/1064240571.db2.gz BTKKPVDSTVDXHD-XUZZJYLKSA-N 0 3 497.688 2.884 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC001296135827 1064240585 /nfs/dbraw/zinc/24/05/85/1064240585.db2.gz CYKOKYQDAWHFCL-ADUORFRMSA-N 0 3 474.675 2.529 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 ZINC001291772830 1064256751 /nfs/dbraw/zinc/25/67/51/1064256751.db2.gz CQFUEQZBNGJLLI-JQHSSLGASA-N 0 3 459.607 2.782 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2C)C1 ZINC001291773648 1064259371 /nfs/dbraw/zinc/25/93/71/1064259371.db2.gz ILTGHKZLJCXIGX-TUNNFDKTSA-N 0 3 475.659 2.797 20 0 JFADHN CC[C@H](C)N(C)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001291784489 1064279583 /nfs/dbraw/zinc/27/95/83/1064279583.db2.gz RWGOQFTYPHFHDC-YADARESESA-N 0 3 491.658 2.611 20 0 JFADHN CC[C@H](C)N(C)CCn1c(CSc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 ZINC001291787072 1064284227 /nfs/dbraw/zinc/28/42/27/1064284227.db2.gz XXBPPABZBYQQGR-KRWDZBQOSA-N 0 3 467.661 2.544 20 0 JFADHN CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@H](OC)C(C)C)C[C@@H]1C ZINC001296165432 1064285002 /nfs/dbraw/zinc/28/50/02/1064285002.db2.gz JJGAWQFURJHSQJ-ZCYQVOJMSA-N 0 3 483.705 2.844 20 0 JFADHN CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)CN2CCOCC2)C[C@H]1C ZINC001296166222 1064286799 /nfs/dbraw/zinc/28/67/99/1064286799.db2.gz NHBGFRHKKJANAT-FGZHOGPDSA-N 0 3 456.635 2.664 20 0 JFADHN CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)CN2CCOCC2)C[C@@H]1C ZINC001296166223 1064287900 /nfs/dbraw/zinc/28/79/00/1064287900.db2.gz NHBGFRHKKJANAT-VXKWHMMOSA-N 0 3 456.635 2.664 20 0 JFADHN CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001296167875 1064290757 /nfs/dbraw/zinc/29/07/57/1064290757.db2.gz VHXJMGUGQLQJLQ-ISKFKSNPSA-N 0 3 470.662 2.787 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(C)n4)n3CCOCC(F)(F)C(F)F)C2)CC1 ZINC001296179903 1064310267 /nfs/dbraw/zinc/31/02/67/1064310267.db2.gz HXHUCLXDCLRHRO-SFHVURJKSA-N 0 3 499.557 2.782 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCNC(=O)C(C)C)C2)CC1 ZINC001296180519 1064311453 /nfs/dbraw/zinc/31/14/53/1064311453.db2.gz NTOXZBIVFDUXAR-LJQANCHMSA-N 0 3 492.043 2.726 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CC(C)C)C2)CC1 ZINC001296181123 1064313598 /nfs/dbraw/zinc/31/35/98/1064313598.db2.gz VKUHNVGRZLMANQ-KRWDZBQOSA-N 0 3 450.429 2.908 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(C)n4)n3C[C@@H](OC)C(C)(C)C)C2)CC1 ZINC001296181751 1064317863 /nfs/dbraw/zinc/31/78/63/1064317863.db2.gz ZXCOIJBROIUJCE-RBBKRZOGSA-N 0 3 455.651 2.926 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](c3cccc(C)c3)C2)CC1 ZINC001296181965 1064320701 /nfs/dbraw/zinc/32/07/01/1064320701.db2.gz IJKKPEUIOQMTKM-VWNXMTODSA-N 0 3 481.689 2.992 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CC(C)(C)OC)C2)CC1 ZINC001296183192 1064327634 /nfs/dbraw/zinc/32/76/34/1064327634.db2.gz ZYSUTIRSEPTCED-PWRODBHTSA-N 0 3 462.683 2.838 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC001296183806 1064329742 /nfs/dbraw/zinc/32/97/42/1064329742.db2.gz GHZRGAXCAGADIE-PMACEKPBSA-N 0 3 477.698 2.990 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001296184315 1064331018 /nfs/dbraw/zinc/33/10/18/1064331018.db2.gz JOQPBPRIHJHELC-AQNXPRMDSA-N 0 3 486.690 2.529 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C2CC2)CC1 ZINC001296185048 1064333119 /nfs/dbraw/zinc/33/31/19/1064333119.db2.gz NZYKKCVTEDUSQZ-GOSISDBHSA-N 0 3 474.053 2.734 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCC(Nc3cc(OC)cc(OC)c3)CC2)CC1 ZINC001296186585 1064334314 /nfs/dbraw/zinc/33/43/14/1064334314.db2.gz WNSLSMDWDXQQJM-FQEVSTJZSA-N 0 3 485.677 2.958 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001296190368 1064338775 /nfs/dbraw/zinc/33/87/75/1064338775.db2.gz CPLOLIXWMVTKGT-ZWKOTPCHSA-N 0 3 456.557 2.754 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)CCC(F)(F)F)CC1 ZINC001296191560 1064341924 /nfs/dbraw/zinc/34/19/24/1064341924.db2.gz JMGBKZJVLCTLMC-GOSISDBHSA-N 0 3 453.557 2.926 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C)c2)CC1 ZINC001296192043 1064343411 /nfs/dbraw/zinc/34/34/11/1064343411.db2.gz LOUVPVAXCLJMQL-QFIPXVFZSA-N 0 3 467.662 2.619 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(N3CCC[C@@H](CNC(=O)C(C)C)C3)nnc2C(C)(C)C)CC1 ZINC001296193188 1064349615 /nfs/dbraw/zinc/34/96/15/1064349615.db2.gz HVOVGNZPDRLRSU-YADHBBJMSA-N 0 3 475.726 2.838 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296193708 1064352506 /nfs/dbraw/zinc/35/25/06/1064352506.db2.gz PEGUDNNKFUMLNZ-UNMCSNQZSA-N 0 3 489.709 2.998 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C3CC3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296194081 1064354197 /nfs/dbraw/zinc/35/41/97/1064354197.db2.gz LHOBQRRAWKGUCV-ZVDOUQERSA-N 0 3 475.682 2.779 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001296194441 1064356040 /nfs/dbraw/zinc/35/60/40/1064356040.db2.gz SKIKHCXBMABKOY-QUCCMNQESA-N 0 3 461.680 2.847 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001296194982 1064358236 /nfs/dbraw/zinc/35/82/36/1064358236.db2.gz UIDDZFKJCZZNNS-WOJBJXKFSA-N 0 3 473.691 2.933 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296195333 1064361075 /nfs/dbraw/zinc/36/10/75/1064361075.db2.gz OTBBKGBCJFBJPI-TUGCOKMYSA-N 0 3 492.709 2.671 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Nc3ccn(C)n3)nnc2C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC001296196914 1064370188 /nfs/dbraw/zinc/37/01/88/1064370188.db2.gz VVRIBQQGQQGOPB-GOSISDBHSA-N 0 3 479.633 2.898 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(N3CCC(C)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296197384 1064373381 /nfs/dbraw/zinc/37/33/81/1064373381.db2.gz XQHZYCPADLOCHM-RDGATRHJSA-N 0 3 462.683 2.829 20 0 JFADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2Cc2ccccc2)CC1 ZINC001296202269 1064377897 /nfs/dbraw/zinc/37/78/97/1064377897.db2.gz CGXZKIFENQBWNA-QHCPKHFHSA-N 0 3 467.662 2.655 20 0 JFADHN CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@H](c2ccco2)N2CCCC2)CC1 ZINC001291829441 1064386360 /nfs/dbraw/zinc/38/63/60/1064386360.db2.gz MQFIKLWWMLRGCB-LEWJYISDSA-N 0 3 471.650 2.868 20 0 JFADHN CCN1CCN(CCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001296211841 1064402774 /nfs/dbraw/zinc/40/27/74/1064402774.db2.gz QEALFUCEWBZBIC-DEOSSOPVSA-N 0 3 473.691 2.924 20 0 JFADHN CCN1CCN(CCCn2c(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)CC1 ZINC001296213361 1064408612 /nfs/dbraw/zinc/40/86/12/1064408612.db2.gz IANAQAAAMRZBCL-FQEVSTJZSA-N 0 3 477.698 2.954 20 0 JFADHN CCN1CCN(CCCn2c(N3CC[C@](O)(c4ccccc4F)C3)nnc2C(C)(C)C)CC1 ZINC001296213914 1064411478 /nfs/dbraw/zinc/41/14/78/1064411478.db2.gz LHOIIXJZXGQEED-RUZDIDTESA-N 0 3 458.626 2.840 20 0 JFADHN CCN1CCN(CCCn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H]2CCOC2)CC1 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/nfs/dbraw/zinc/58/70/96/1064587096.db2.gz BQDZTVUAXQSEPB-DEOSSOPVSA-N 0 3 486.709 2.807 20 0 JFADHN CCC(CC)[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001291975072 1064589615 /nfs/dbraw/zinc/58/96/15/1064589615.db2.gz QHBSJSHGIVSHMC-SFTDATJTSA-N 0 3 487.674 2.506 20 0 JFADHN CCNC(=O)N1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccco2)N(CC)CC)CC1 ZINC001296312201 1064591869 /nfs/dbraw/zinc/59/18/69/1064591869.db2.gz UZWLQVSCAWOAGY-HXUWFJFHSA-N 0 3 466.590 2.868 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@@H](C)N1CCC(C)CC1 ZINC001291987539 1064600993 /nfs/dbraw/zinc/60/09/93/1064600993.db2.gz CMGZJCKJQZRQLQ-GOSISDBHSA-N 0 3 463.671 2.668 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2cnccn2)n1CC1(N2CCSCC2)CCCC1 ZINC001292002672 1064621553 /nfs/dbraw/zinc/62/15/53/1064621553.db2.gz UGBYZKVXZZFFFP-UHFFFAOYSA-N 0 3 486.690 2.985 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCC=C(C)C ZINC001292017649 1064651542 /nfs/dbraw/zinc/65/15/42/1064651542.db2.gz LMWDARKOCDEQHH-NZQKXSOJSA-N 0 3 487.693 2.932 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001292025920 1064678262 /nfs/dbraw/zinc/67/82/62/1064678262.db2.gz XCHZBYUSIMDTRJ-QZTJIDSGSA-N 0 3 491.681 2.982 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@@H]1CCCN1CCCO ZINC001292036119 1064699216 /nfs/dbraw/zinc/69/92/16/1064699216.db2.gz PRGURSKAIAPZEL-SFHVURJKSA-N 0 3 474.572 2.822 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001292037035 1064702099 /nfs/dbraw/zinc/70/20/99/1064702099.db2.gz ULNPBPUNWYIWRD-JOCHJYFZSA-N 0 3 483.661 2.770 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1C[C@@H]1CCCN1Cc1ccccc1 ZINC001292041106 1064706130 /nfs/dbraw/zinc/70/61/30/1064706130.db2.gz JPANPYQEIDBLFL-WXVAWEFUSA-N 0 3 495.672 2.824 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H](OC)C2)n1CC(C)(C)N1CCC(OC)CC1 ZINC001292043270 1064709280 /nfs/dbraw/zinc/70/92/80/1064709280.db2.gz FRWNNUWHKWPTBX-NQIIRXRSSA-N 0 3 478.682 2.947 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1C[C@H]1CCCN1CC ZINC001292053687 1064718754 /nfs/dbraw/zinc/71/87/54/1064718754.db2.gz RDVXPIMNTAJXNQ-JOCHJYFZSA-N 0 3 487.693 2.910 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1Cc1ccsc1 ZINC001292055362 1064723899 /nfs/dbraw/zinc/72/38/99/1064723899.db2.gz RCWYKQLTCXVKNA-UHFFFAOYSA-N 0 3 460.648 2.855 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1Cc1ccc(F)cc1 ZINC001292063467 1064737052 /nfs/dbraw/zinc/73/70/52/1064737052.db2.gz UJIHGATZIKWSJX-QHCPKHFHSA-N 0 3 485.652 2.989 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC=C(Br)C2)n1CCCN1CCN(CC)CC1 ZINC001292078415 1064760895 /nfs/dbraw/zinc/76/08/95/1064760895.db2.gz GNFYYOSMRFARTJ-UHFFFAOYSA-N 0 3 496.498 2.713 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001292109167 1064807028 /nfs/dbraw/zinc/80/70/28/1064807028.db2.gz FKXFNVYLPGPLDV-HLAWJBBLSA-N 0 3 473.666 2.518 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@]1(O)CCc2ccccc21 ZINC001292113251 1064821037 /nfs/dbraw/zinc/82/10/37/1064821037.db2.gz BODDUTBVOWKQCB-SANMLTNESA-N 0 3 468.646 2.951 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001292113484 1064823397 /nfs/dbraw/zinc/82/33/97/1064823397.db2.gz KBHKAEMUYYPQQQ-NRFANRHFSA-N 0 3 485.633 2.696 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC3CCCCC3)CC2)n1Cc1cnn(C)c1C ZINC001292127129 1064880404 /nfs/dbraw/zinc/88/04/04/1064880404.db2.gz XBYGKHCTSACTDL-UHFFFAOYSA-N 0 3 470.666 2.989 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@@H](C)SC ZINC001292127142 1064880932 /nfs/dbraw/zinc/88/09/32/1064880932.db2.gz XULVLHVXDHTEGY-IAGOWNOFSA-N 0 3 452.669 2.638 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nnc(C)o3)C2)n1C[C@H]1N(C)CCCC1(C)C ZINC001292143121 1064910742 /nfs/dbraw/zinc/91/07/42/1064910742.db2.gz AOJWQERPDIRPCO-RTBURBONSA-N 0 3 488.637 2.586 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1C[C@H]1CCCN1CC ZINC001292143446 1064912116 /nfs/dbraw/zinc/91/21/16/1064912116.db2.gz FHHFQNDDJHYLNQ-MOPGFXCFSA-N 0 3 488.637 2.765 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1C[C@@H]1CCCN1CC ZINC001292143448 1064912189 /nfs/dbraw/zinc/91/21/89/1064912189.db2.gz FHHFQNDDJHYLNQ-RBUKOAKNSA-N 0 3 488.637 2.765 20 0 JFADHN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)NC(=O)OC(C)(C)C ZINC001292218838 1065005654 /nfs/dbraw/zinc/00/56/54/1065005654.db2.gz JNFWYDZNTJWHAN-PWRODBHTSA-N 0 3 492.665 2.982 20 0 JFADHN CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)NC(=O)OC(C)(C)C ZINC001292225105 1065011830 /nfs/dbraw/zinc/01/18/30/1065011830.db2.gz LTPDLTFXYDPMBB-PWRODBHTSA-N 0 3 492.665 2.634 20 0 JFADHN CCC1(Cn2c([C@H](C)OCCOC)nnc2N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)CC1 ZINC001292413977 1065147873 /nfs/dbraw/zinc/14/78/73/1065147873.db2.gz PNRGOSQXHNTZEJ-JAXLGGSGSA-N 0 3 476.666 2.571 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)N(C)C)cc1 ZINC001292455927 1065176653 /nfs/dbraw/zinc/17/66/53/1065176653.db2.gz AWHGEEDREZNOLE-MNAPGUCWSA-N 0 3 454.619 2.956 20 0 JFADHN CCc1ccc([C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C(=O)OC)CC2)N(C)C)cc1 ZINC001292457694 1065179584 /nfs/dbraw/zinc/17/95/84/1065179584.db2.gz LCPWYGWVWUVADS-JOCHJYFZSA-N 0 3 482.629 2.769 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](CNC(C)=O)C2)N(C)C)cc1 ZINC001292459715 1065185415 /nfs/dbraw/zinc/18/54/15/1065185415.db2.gz FUFFBCYDXXQRIM-HJOGWXRNSA-N 0 3 484.645 2.726 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(OCC(N)=O)CC2)N(C)C)cc1 ZINC001292460184 1065187161 /nfs/dbraw/zinc/18/71/61/1065187161.db2.gz HIDGOXAOVVCFRX-GOTSBHOMSA-N 0 3 484.645 2.856 20 0 JFADHN CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C(=O)NC3CC3)C2)N(C)C)cc1 ZINC001292460429 1065187825 /nfs/dbraw/zinc/18/78/25/1065187825.db2.gz XDSSFYIVFJRJSF-GGAORHGYSA-N 0 3 495.672 2.777 20 0 JFADHN CCc1ccc([C@@H](Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)C(C)C)CC2)N(C)C)cc1 ZINC001292460528 1065188428 /nfs/dbraw/zinc/18/84/28/1065188428.db2.gz IEZNKLOLHQJHCP-DHIUTWEWSA-N 0 3 468.646 2.952 20 0 JFADHN CCc1ccc([C@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@H](C(N)=O)C2)N(C)C)cc1 ZINC001292461527 1065190318 /nfs/dbraw/zinc/19/03/18/1065190318.db2.gz OOLDGPMBFLVCIW-GOTSBHOMSA-N 0 3 461.614 2.831 20 0 JFADHN CCc1ccc([C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](C(N)=O)C2)N(C)C)cc1 ZINC001292461526 1065190348 /nfs/dbraw/zinc/19/03/48/1065190348.db2.gz OOLDGPMBFLVCIW-DHIUTWEWSA-N 0 3 461.614 2.831 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCC(CC(=O)NC)CC2)N(C)C)cc1 ZINC001292462390 1065191568 /nfs/dbraw/zinc/19/15/68/1065191568.db2.gz RXSVMNUYORSNRY-PKTZIBPZSA-N 0 3 468.646 3.000 20 0 JFADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 ZINC001292470766 1065197212 /nfs/dbraw/zinc/19/72/12/1065197212.db2.gz OCPIVVGCESQPBI-HSZRJFAPSA-N 0 3 453.530 2.692 20 0 JFADHN CCc1ccc(-c2nnc(N3C[C@@H](C)[C@H](N4CCCN(C(C)=O)CC4)C3)n2CCOC)cc1 ZINC001292479773 1065204136 /nfs/dbraw/zinc/20/41/36/1065204136.db2.gz UOWAIVUEKAEJDE-AUSIDOKSSA-N 0 3 454.619 2.533 20 0 JFADHN CCc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](N4CCCN(C(C)=O)CC4)C3)n2CCOC)cc1 ZINC001292479776 1065204279 /nfs/dbraw/zinc/20/42/79/1065204279.db2.gz UOWAIVUEKAEJDE-XXBNENTESA-N 0 3 454.619 2.533 20 0 JFADHN CCc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001292484735 1065206488 /nfs/dbraw/zinc/20/64/88/1065206488.db2.gz GLCOERADXDGBHO-CNNODRBYSA-N 0 3 474.675 2.850 20 0 JFADHN CCc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@@H]3C)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001292484738 1065206533 /nfs/dbraw/zinc/20/65/33/1065206533.db2.gz GLCOERADXDGBHO-XQBPLPMBSA-N 0 3 474.675 2.850 20 0 JFADHN CCc1ccc(-c2nnc(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)n2C[C@H](COC)OC)cc1 ZINC001292497263 1065216504 /nfs/dbraw/zinc/21/65/04/1065216504.db2.gz DNSKLASUSRQTEF-DNQXCXABSA-N 0 3 470.662 2.774 20 0 JFADHN C[C@H](C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001292521209 1065247312 /nfs/dbraw/zinc/24/73/12/1065247312.db2.gz DGUAEBSYJNCUNR-WMQCIHAUSA-N 0 3 458.603 2.829 20 0 JFADHN CCN1CCN(CCC(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)CC1 ZINC001292555103 1065272155 /nfs/dbraw/zinc/27/21/55/1065272155.db2.gz RQIFKKTWSVJBRZ-UHFFFAOYSA-N 0 3 451.409 2.654 20 0 JFADHN CCc1ccccc1NC(=O)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1CC ZINC001292570735 1065282423 /nfs/dbraw/zinc/28/24/23/1065282423.db2.gz RIKQCYZGBSVJJI-HXUWFJFHSA-N 0 3 467.618 2.636 20 0 JFADHN CCc1ccccc1NC(=O)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCSC1 ZINC001292570650 1065282444 /nfs/dbraw/zinc/28/24/44/1065282444.db2.gz ODFDTZDNWSOXLU-VWLOTQADSA-N 0 3 499.685 2.589 20 0 JFADHN CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(C)C)CC1 ZINC001292776089 1065535376 /nfs/dbraw/zinc/53/53/76/1065535376.db2.gz KCZMGSNQRQGFSX-UHFFFAOYSA-N 0 3 452.607 2.779 20 0 JFADHN CCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CCOc1ccccc1C ZINC001292892389 1065589711 /nfs/dbraw/zinc/58/97/11/1065589711.db2.gz CTKSBHYUTTZFJP-IRLDBZIGSA-N 0 3 454.619 2.607 20 0 JFADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H](SC)C(C)(C)C ZINC001292892894 1065591819 /nfs/dbraw/zinc/59/18/19/1065591819.db2.gz IRDKDPFEJXNHBG-IHPCNDPISA-N 0 3 450.697 2.997 20 0 JFADHN CCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC1(COC)CCCCC1 ZINC001292893460 1065594726 /nfs/dbraw/zinc/59/47/26/1065594726.db2.gz ORWJHAUWWGLUMQ-IFMALSPDSA-N 0 3 460.667 2.816 20 0 JFADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1(COC)CCCCC1 ZINC001292893463 1065594914 /nfs/dbraw/zinc/59/49/14/1065594914.db2.gz ORWJHAUWWGLUMQ-UNMCSNQZSA-N 0 3 460.667 2.816 20 0 JFADHN CCc1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001292914978 1065604398 /nfs/dbraw/zinc/60/43/98/1065604398.db2.gz AUKNDPXTVUWTTC-QFIPXVFZSA-N 0 3 452.603 2.783 20 0 JFADHN CCc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001292951067 1065630794 /nfs/dbraw/zinc/63/07/94/1065630794.db2.gz NQWIMPCSKIBZDY-UHFFFAOYSA-N 0 3 459.683 2.532 20 0 JFADHN CCc1nnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001292986599 1065671823 /nfs/dbraw/zinc/67/18/23/1065671823.db2.gz FAHIHIJFZRYIGW-PXDATVDWSA-N 0 3 489.064 2.621 20 0 JFADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc(I)c(C)cc2C)CC1 ZINC001293078713 1065728729 /nfs/dbraw/zinc/72/87/29/1065728729.db2.gz BSUDTDCZOPUUQQ-UHFFFAOYSA-N 0 3 457.356 2.534 20 0 JFADHN CCc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001293082196 1065732039 /nfs/dbraw/zinc/73/20/39/1065732039.db2.gz WYGAGWQXONJAQC-SFHVURJKSA-N 0 3 454.600 2.873 20 0 JFADHN CCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001293117047 1065763912 /nfs/dbraw/zinc/76/39/12/1065763912.db2.gz URTDAFOLEVWKCE-CYBMUJFWSA-N 0 3 475.947 2.984 20 0 JFADHN CCc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1Cc1cccnc1OCC(F)(F)F ZINC001293117259 1065764668 /nfs/dbraw/zinc/76/46/68/1065764668.db2.gz ZMZRUGRJRONJFB-INIZCTEOSA-N 0 3 468.524 2.914 20 0 JFADHN CCc1nnc(N2CCN(CC3CCOCC3)CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001293131585 1065783951 /nfs/dbraw/zinc/78/39/51/1065783951.db2.gz PFGOQJKIYJVMMK-UHFFFAOYSA-N 0 3 474.650 2.956 20 0 JFADHN CCc1noc(C)c1Cn1c(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001293206920 1065833267 /nfs/dbraw/zinc/83/32/67/1065833267.db2.gz OOWSJMOGXUAVDG-VGSWGCGISA-N 0 3 471.650 2.862 20 0 JFADHN CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001293298736 1065939748 /nfs/dbraw/zinc/93/97/48/1065939748.db2.gz QWPRIAVXHRXMQR-DIJFTKHXSA-N 0 3 478.663 2.825 20 0 JFADHN CC[C@H]1C[C@@H](C)CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCN(C)C(C)(C)C1 ZINC001293301257 1065941882 /nfs/dbraw/zinc/94/18/82/1065941882.db2.gz JNYVZFUHCZBNTR-CTNGQTDRSA-N 0 3 488.702 2.999 20 0 JFADHN CC[C@@H]1C[C@H](C)CN1c1nnc(Cc2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001293316119 1065946146 /nfs/dbraw/zinc/94/61/46/1065946146.db2.gz OBHNAICQUIPZFU-KSEOMHKRSA-N 0 3 453.635 2.831 20 0 JFADHN CC[C@@H]1C[C@@H](C)CN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001293329589 1065951367 /nfs/dbraw/zinc/95/13/67/1065951367.db2.gz IGCQRBKACODTKG-TWGBQZSLSA-N 0 3 476.666 2.570 20 0 JFADHN CC[C@H]1C[C@H](C)CN1c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C)C(C)(C)C1 ZINC001293330879 1065951894 /nfs/dbraw/zinc/95/18/94/1065951894.db2.gz FWVRMQOYNJWTLN-OALUTQOASA-N 0 3 473.691 2.920 20 0 JFADHN CC[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 ZINC001293457087 1066013699 /nfs/dbraw/zinc/01/36/99/1066013699.db2.gz SHRCZJWQDJOXJV-SGIRGMQISA-N 0 3 462.683 2.829 20 0 JFADHN CC1CCC(N2CCN(C(=O)[C@H]3[C@H]4C(=O)N(CC(F)(F)F)C(=O)[C@H]4C=C[C@H]3C)CC2)CC1 ZINC001293495192 1066025873 /nfs/dbraw/zinc/02/58/73/1066025873.db2.gz BOIXHSNKNZBTSM-WQWAZUFJSA-N 0 3 455.521 2.695 20 0 JFADHN CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCN2CCc3ccccc3C2)C[C@@H](C)O1 ZINC001293511363 1066037044 /nfs/dbraw/zinc/03/70/44/1066037044.db2.gz VUNBYIHAQXBXNV-DENIHFKCSA-N 0 3 454.619 2.868 20 0 JFADHN CC[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCN(C)C(C)(C)C2)CCS1 ZINC001293531126 1066051101 /nfs/dbraw/zinc/05/11/01/1066051101.db2.gz KQSQIUXPXWCHOR-HYBUGGRVSA-N 0 3 480.723 2.677 20 0 JFADHN CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN2CCOC(C)(C)C2)CCN1CCOC ZINC001293549778 1066066166 /nfs/dbraw/zinc/06/61/66/1066066166.db2.gz QVHXZPCPZWHEGL-FQEVSTJZSA-N 0 3 460.623 2.504 20 0 JFADHN CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C[C@H]1N1CCOCC1 ZINC001293603099 1066119551 /nfs/dbraw/zinc/11/95/51/1066119551.db2.gz SYTHXBLARHDXDZ-KAOXLYBCSA-N 0 3 476.710 2.913 20 0 JFADHN CC[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H](C)CN2CCN(CC)CC2)CCO1 ZINC001293643795 1066159109 /nfs/dbraw/zinc/15/91/09/1066159109.db2.gz HIBWPWGERZNEPI-RTWAWAEBSA-N 0 3 474.625 2.885 20 0 JFADHN CC[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(C)Cc2ccc(F)cc2)CCO1 ZINC001293658432 1066167478 /nfs/dbraw/zinc/16/74/78/1066167478.db2.gz ILHBGSKOWXIHCR-BVSLBCMMSA-N 0 3 461.582 2.888 20 0 JFADHN CCCC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCC(C)(C)C2)C1 ZINC001293782512 1066279525 /nfs/dbraw/zinc/27/95/25/1066279525.db2.gz ZKOJOHCBWYTQAL-NRFANRHFSA-N 0 3 487.693 2.769 20 0 JFADHN CCC[C@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001293837283 1066342097 /nfs/dbraw/zinc/34/20/97/1066342097.db2.gz SIWOAQYMDWQZQJ-HOFKKMOUSA-N 0 3 498.672 2.768 20 0 JFADHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001293845035 1066347879 /nfs/dbraw/zinc/34/78/79/1066347879.db2.gz HESPTUGFGNBJIW-UHFFFAOYSA-N 0 3 455.534 2.632 20 0 JFADHN CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001293850060 1066354805 /nfs/dbraw/zinc/35/48/05/1066354805.db2.gz MYGDEXWOAUZUQJ-AZUAARDMSA-N 0 3 458.607 2.557 20 0 JFADHN CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC001293912890 1066398389 /nfs/dbraw/zinc/39/83/89/1066398389.db2.gz WGLZSTYGFJYWFJ-HXUWFJFHSA-N 0 3 451.995 2.573 20 0 JFADHN CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC2(N3CCSCC3)CCCC2)CCO1 ZINC001294056129 1066529616 /nfs/dbraw/zinc/52/96/16/1066529616.db2.gz YPORMYSKTAOAND-LJQANCHMSA-N 0 3 464.680 2.783 20 0 JFADHN CCC[C@@H]1CN(c2nnc(C)n2Cc2cccnc2OCC(F)(F)F)CCN1CCOC ZINC001294060168 1066532831 /nfs/dbraw/zinc/53/28/31/1066532831.db2.gz CGYZJXJYFDFKTM-GOSISDBHSA-N 0 3 456.513 2.908 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2NC(=O)CC2(C)C)CCN1CCOC ZINC001294068728 1066539196 /nfs/dbraw/zinc/53/91/96/1066539196.db2.gz XDWJHOKOPVUWDG-MOPGFXCFSA-N 0 3 490.052 2.845 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CCN2CCOC[C@H]2C)CCN1CCOC ZINC001294073139 1066542597 /nfs/dbraw/zinc/54/25/97/1066542597.db2.gz KJQZMWDJXICIKI-RTWAWAEBSA-N 0 3 474.625 2.742 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCSC2)CCN1CCOC ZINC001294074359 1066543428 /nfs/dbraw/zinc/54/34/28/1066543428.db2.gz RMEKSDJIEPGPKT-NTKDMRAZSA-N 0 3 475.659 2.759 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(N)=O)cc2)CCN1CCOC ZINC001294075077 1066544237 /nfs/dbraw/zinc/54/42/37/1066544237.db2.gz XPLYVLVZQGGGRO-NRFANRHFSA-N 0 3 480.617 2.760 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H]2CCO[C@H]2C(C)C)CCN1CCOC ZINC001294075506 1066544306 /nfs/dbraw/zinc/54/43/06/1066544306.db2.gz ADWOLNQBLPTJHJ-SJBKTWHCSA-N 0 3 457.623 2.733 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)cc2F)CCN1CCOC ZINC001294076485 1066545594 /nfs/dbraw/zinc/54/55/94/1066545594.db2.gz JMYSIXHKBZZINZ-FQEVSTJZSA-N 0 3 459.545 2.942 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc([C@H](C)O)cc2)CCN1CCOC ZINC001294077880 1066547594 /nfs/dbraw/zinc/54/75/94/1066547594.db2.gz TVMXGLCEBIBGAT-SIKLNZKXSA-N 0 3 465.602 2.774 20 0 JFADHN CCC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2cnccc2OC)CCN1CCOC ZINC001294082430 1066551226 /nfs/dbraw/zinc/55/12/26/1066551226.db2.gz REKFVFBIBVNCHH-FPOVZHCZSA-N 0 3 458.607 2.561 20 0 JFADHN CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCOC[C@H]2OC)CCN1CCOC ZINC001294087546 1066559523 /nfs/dbraw/zinc/55/95/23/1066559523.db2.gz UEYKPINVXBJYOR-PWRODBHTSA-N 0 3 451.656 2.855 20 0 JFADHN F[C@]1(N2CC[C@@H]3NCCO[C@@H]3C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164390425 718823300 /nfs/dbraw/zinc/82/33/00/718823300.db2.gz OMYSSCQDAAIMOQ-FVJLSDCUSA-N 0 3 452.361 2.984 20 0 JFADHN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CC[C@@H]4NCCO[C@@H]4C3)c2c1C ZINC001164391055 718824692 /nfs/dbraw/zinc/82/46/92/718824692.db2.gz SMSAHWAMWKPART-DLBZAZTESA-N 0 3 459.616 2.729 20 0 JFADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCC4(CC3)COCC(=O)N4)c21 ZINC001164424928 718934709 /nfs/dbraw/zinc/93/47/09/718934709.db2.gz RNZUCZFEENNZEU-UHFFFAOYSA-N 0 3 496.995 2.882 20 0 JFADHN CC(C)(c1ccnc(Cl)c1)N1CCC[C@@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@H]2C1 ZINC001164430394 718956429 /nfs/dbraw/zinc/95/64/29/718956429.db2.gz UDOCOQWAPRACHB-NBGIEHNGSA-N 0 3 485.032 2.838 20 0 JFADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCS(=O)(=O)CC3)c21 ZINC001164427552 718958240 /nfs/dbraw/zinc/95/82/40/718958240.db2.gz FBLLVTKZHJVDIS-UHFFFAOYSA-N 0 3 461.971 2.632 20 0 JFADHN CN(C)C(=O)CN1CC[C@]2(CN(c3ncccc3CN3CCCC3)C[C@H]2c2ccccc2)C1=O ZINC001164631030 719144090 /nfs/dbraw/zinc/14/40/90/719144090.db2.gz MMERTWJVRRUCKR-WNCULLNHSA-N 0 3 461.610 2.588 20 0 JFADHN CNC(=O)CN1CCCC12CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164689362 719740194 /nfs/dbraw/zinc/74/01/94/719740194.db2.gz CSEUPKLCTWRXDQ-UHFFFAOYSA-N 0 3 498.697 2.583 20 0 JFADHN COCCOc1cc2ncnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2cc1OCCOC ZINC001164727760 720348408 /nfs/dbraw/zinc/34/84/08/720348408.db2.gz UNDHFQUMOAEWID-DHIUTWEWSA-N 0 3 479.581 2.928 20 0 JFADHN FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164836208 720737094 /nfs/dbraw/zinc/73/70/94/720737094.db2.gz CGFCLCFAWHGGII-UHFFFAOYSA-N 0 3 467.952 2.760 20 0 JFADHN CS(=O)(=O)c1cccnc1N1CC[C@]2(CN(CC3CC3)C[C@@H]2COCc2cccnc2)C1 ZINC001164755294 720881612 /nfs/dbraw/zinc/88/16/12/720881612.db2.gz VVGFUGCDDYCAJC-QPPBQGQZSA-N 0 3 456.612 2.635 20 0 JFADHN CS(=O)(=O)c1cccnc1N1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCc2cccnc2)C1 ZINC001164755297 720882297 /nfs/dbraw/zinc/88/22/97/720882297.db2.gz VVGFUGCDDYCAJC-ZJSXRUAMSA-N 0 3 456.612 2.635 20 0 JFADHN CC[C@@H]1C(=O)N(C)c2cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164867340 721087038 /nfs/dbraw/zinc/08/70/38/721087038.db2.gz YDBQQKCSMPWVLX-XPWALMASSA-N 0 3 491.640 2.855 20 0 JFADHN CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867649 721119143 /nfs/dbraw/zinc/11/91/43/721119143.db2.gz ZFZUSRBQQXUHRI-YADHBBJMSA-N 0 3 460.582 2.890 20 0 JFADHN COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867314 721121635 /nfs/dbraw/zinc/12/16/35/721121635.db2.gz XUGCGTYXGXLTTE-MOPGFXCFSA-N 0 3 467.570 2.728 20 0 JFADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5c4ccn5COC(=O)C(C)(C)C)C[C@@H]3C2)cn1 ZINC001164774106 721133813 /nfs/dbraw/zinc/13/38/13/721133813.db2.gz ZURVDPAGWBHRLT-OALUTQOASA-N 0 3 451.575 2.670 20 0 JFADHN Cn1cc(CN2CC[C@@H]3CN(c4ncccc4C(=O)N4CCN(Cc5ccccc5)CC4)C[C@@H]3C2)cn1 ZINC001164762091 721161606 /nfs/dbraw/zinc/16/16/06/721161606.db2.gz BWNRKNPDBSGASU-FTJBHMTQSA-N 0 3 499.663 2.731 20 0 JFADHN Cn1cc(CN2CC[C@H]3CN(c4ncccc4C(=O)N4CCN(Cc5ccccc5)CC4)C[C@@H]3C2)cn1 ZINC001164762093 721163416 /nfs/dbraw/zinc/16/34/16/721163416.db2.gz BWNRKNPDBSGASU-UIOOFZCWSA-N 0 3 499.663 2.731 20 0 JFADHN COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164762483 721173053 /nfs/dbraw/zinc/17/30/53/721173053.db2.gz CGWZMOKJSMJFBS-YSOBTRATSA-N 0 3 480.613 2.944 20 0 JFADHN Cc1sc2nc(CN3CCOCC3)nc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2c1C ZINC001164765723 721198963 /nfs/dbraw/zinc/19/89/63/721198963.db2.gz IDHJBGLVFYRTLZ-NHCUHLMSSA-N 0 3 481.670 2.832 20 0 JFADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(S(=O)(=O)Nc5cc(F)ccc5F)cn4)C[C@@H]3C2)cn1 ZINC001164770098 721217537 /nfs/dbraw/zinc/21/75/37/721217537.db2.gz NAGPVYFMMNLUGV-ROUUACIJSA-N 0 3 488.564 2.852 20 0 JFADHN COc1ccc(-c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nn2)c(OC)c1OC ZINC001164765538 721226308 /nfs/dbraw/zinc/22/63/08/721226308.db2.gz RWJPBVOTOMPXEZ-RBUKOAKNSA-N 0 3 464.570 2.861 20 0 JFADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164761089 721227824 /nfs/dbraw/zinc/22/78/24/721227824.db2.gz HHSYXGNESNCZPK-XZOQPEGZSA-N 0 3 459.598 2.672 20 0 JFADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)C3)O2)CC1 ZINC001164898430 721442760 /nfs/dbraw/zinc/44/27/60/721442760.db2.gz VYZNTDVKFQFCSR-NAKRPHOHSA-N 0 3 491.684 2.569 20 0 JFADHN CN(Cc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)N3c3nccs3)C2)nc1)C1CC1 ZINC001164900185 721495480 /nfs/dbraw/zinc/49/54/80/721495480.db2.gz NDAJCVWISHXLKC-CEWLAPEOSA-N 0 3 450.616 2.898 20 0 JFADHN c1csc(N2[C@@H](Cn3cncn3)C[C@@H]3CN(c4ncccc4CN4CCCC4)CC[C@H]32)n1 ZINC001164900640 721495673 /nfs/dbraw/zinc/49/56/73/721495673.db2.gz RJDJPVFADRNSGX-NJDAHSKKSA-N 0 3 450.616 2.899 20 0 JFADHN COC(=O)c1cc2c(nc(Cl)nc2N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1C ZINC001164906596 721550674 /nfs/dbraw/zinc/55/06/74/721550674.db2.gz KFAHIRZPLDXBDD-GDBMZVCRSA-N 0 3 459.909 2.889 20 0 JFADHN O=S(=O)(c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1)N1CCCCC1 ZINC001164907590 721553343 /nfs/dbraw/zinc/55/33/43/721553343.db2.gz OURHHYRQGJPOLV-CTNGQTDRSA-N 0 3 460.575 2.737 20 0 JFADHN CC(C)CCNS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164905310 721556104 /nfs/dbraw/zinc/55/61/04/721556104.db2.gz GPZDICCDHXSRTE-CTNGQTDRSA-N 0 3 462.591 2.887 20 0 JFADHN O=C(c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1)N1CCOCC1 ZINC001164907081 721585637 /nfs/dbraw/zinc/58/56/37/721585637.db2.gz RANAVRLOSOOOBZ-HSZRJFAPSA-N 0 3 457.525 2.687 20 0 JFADHN CCOC(=O)c1cnc([S@](C)=O)nc1N1C[C@@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@H]2C1 ZINC001165027066 721822576 /nfs/dbraw/zinc/82/25/76/721822576.db2.gz RNTRDTOUURMJHS-NEGOIERBSA-N 0 3 457.600 2.523 20 0 JFADHN CCOC(=O)c1cnc([S@](C)=O)nc1N1C[C@@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@@H]2C1 ZINC001165027064 721822664 /nfs/dbraw/zinc/82/26/64/721822664.db2.gz RNTRDTOUURMJHS-LBFLPLNYSA-N 0 3 457.600 2.523 20 0 JFADHN COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164981887 722127546 /nfs/dbraw/zinc/12/75/46/722127546.db2.gz VKDMSFJGAZIKDA-CRAIPNDOSA-N 0 3 456.934 2.520 20 0 JFADHN CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980301 722133225 /nfs/dbraw/zinc/13/32/25/722133225.db2.gz MPLCKHQILDRGBQ-KNQAVFIVSA-N 0 3 453.587 2.681 20 0 JFADHN COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164976131 722137886 /nfs/dbraw/zinc/13/78/86/722137886.db2.gz HJPPWULXDOUWGA-NVXWUHKLSA-N 0 3 456.934 2.520 20 0 JFADHN CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164974193 722144199 /nfs/dbraw/zinc/14/41/99/722144199.db2.gz CMNUEPWHSCHMKL-GGAORHGYSA-N 0 3 473.643 2.528 20 0 JFADHN CN(C)c1cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(Cl)n1 ZINC001164971102 722153184 /nfs/dbraw/zinc/15/31/84/722153184.db2.gz AQSBOCKIYATXQA-IRXDYDNUSA-N 0 3 452.937 2.863 20 0 JFADHN CCN1CCN(c2ccc(NC(=O)c3cccn(CC(=O)OC(C)(C)C)c3=O)c(C)c2)CC1 ZINC001264048659 1059512416 /nfs/dbraw/zinc/51/24/16/1059512416.db2.gz YFRUJNZIULJZIS-UHFFFAOYSA-N 0 3 454.571 2.893 20 0 JFADHN CCN1CCN(c2ccc(NC(=O)C3(S(=O)(=O)c4ccccc4)CCOCC3)cc2)CC1 ZINC001264226442 1059542282 /nfs/dbraw/zinc/54/22/82/1059542282.db2.gz FULQAUWJGJVLHU-UHFFFAOYSA-N 0 3 457.596 2.790 20 0 JFADHN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(C[C@@H]1CCCO1)C(F)(F)F ZINC001264228495 1059543317 /nfs/dbraw/zinc/54/33/17/1059543317.db2.gz QRRCOOFBELGCMQ-KBPBESRZSA-N 0 3 454.442 2.533 20 0 JFADHN CCc1c(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)nnn1Cc1ccc(F)cc1 ZINC001264843018 1059702573 /nfs/dbraw/zinc/70/25/73/1059702573.db2.gz BIRAAHIXLKTDBH-UHFFFAOYSA-N 0 3 452.490 2.750 20 0 JFADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@H](F)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc21 ZINC001264843106 1059703213 /nfs/dbraw/zinc/70/32/13/1059703213.db2.gz GBEVUCOCZJAWRX-KBXCAEBGSA-N 0 3 450.511 2.690 20 0 JFADHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](CN(C)C)Oc4ccccc43)CC2)cc1 ZINC001266160743 1059969046 /nfs/dbraw/zinc/96/90/46/1059969046.db2.gz VJQAAKFORQTATE-HXUWFJFHSA-N 0 3 457.596 2.752 20 0 JFADHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 ZINC001279602260 1059986417 /nfs/dbraw/zinc/98/64/17/1059986417.db2.gz YBVXTVGEFZUCGG-QFIPXVFZSA-N 0 3 457.615 2.796 20 0 JFADHN CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccncc3)n2CCN(C)Cc2ccccc2)C1 ZINC001286849519 1061173470 /nfs/dbraw/zinc/17/34/70/1061173470.db2.gz CWJOBEBFYZHCAW-DEOSSOPVSA-N 0 3 461.614 2.701 20 0 JFADHN Cc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2Cc2ccccc2S(=O)(=O)N(C)C)o1 ZINC001289599765 1061243795 /nfs/dbraw/zinc/24/37/95/1061243795.db2.gz FKSHDKONFMWYDG-UHFFFAOYSA-N 0 3 486.642 2.923 20 0 JFADHN CC(=O)N1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001286867031 1061251187 /nfs/dbraw/zinc/25/11/87/1061251187.db2.gz VCNUTDGUNNDNAM-HXUWFJFHSA-N 0 3 470.647 2.563 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3Cc3ccc(OC(F)(F)F)cc3)C[C@H]2C)CC1 ZINC001286868937 1061259461 /nfs/dbraw/zinc/25/94/61/1061259461.db2.gz CRFXISLRXZZIMV-IIBYNOLFSA-N 0 3 480.535 2.912 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccn4C)n3C[C@@](C)(O)CCC(C)C)C[C@@H]2C)CC1 ZINC001286871192 1061271335 /nfs/dbraw/zinc/27/13/35/1061271335.db2.gz MREQZFMAEKBXCG-WBWMCNGVSA-N 0 3 499.704 2.850 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(Cc4ccncc4)n3CCCC(F)(F)F)C[C@H]2C)CC1 ZINC001286871422 1061271874 /nfs/dbraw/zinc/27/18/74/1061271874.db2.gz NZPIOFZAQCNMQL-NQIIRXRSSA-N 0 3 493.578 2.985 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(Cc4ccncc4)n3CCCC(F)(F)F)C[C@@H]2C)CC1 ZINC001286871424 1061271933 /nfs/dbraw/zinc/27/19/33/1061271933.db2.gz NZPIOFZAQCNMQL-RXVVDRJESA-N 0 3 493.578 2.985 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCc3cccnc3)C[C@H]2C)CC1 ZINC001286872370 1061278268 /nfs/dbraw/zinc/27/82/68/1061278268.db2.gz UYFVKNMTXBDGCZ-DENIHFKCSA-N 0 3 453.635 2.592 20 0 JFADHN Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C2CCN(Cc3ccccc3)CC2)c(=O)n1C ZINC001289656049 1061278896 /nfs/dbraw/zinc/27/88/96/1061278896.db2.gz YBGDCPOHZXCBLG-UHFFFAOYSA-N 0 3 491.640 2.573 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@](C)(O)c3ccsc3)C[C@@H]2C)CC1 ZINC001286872768 1061281250 /nfs/dbraw/zinc/28/12/50/1061281250.db2.gz XQVYOALHGMXOHD-UWUFEASWSA-N 0 3 488.702 2.825 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N(C)CCS(C)(=O)=O)n2C[C@@H](C)CN2CCCCC2)cc1C ZINC001289727389 1061336454 /nfs/dbraw/zinc/33/64/54/1061336454.db2.gz OQXUJBAFQFDEOM-SFHVURJKSA-N 0 3 490.674 2.750 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H](C)N2CCC(C)CC2)cc1C ZINC001289741470 1061356853 /nfs/dbraw/zinc/35/68/53/1061356853.db2.gz YNDQCQQVUPWYMY-SFTDATJTSA-N 0 3 481.645 2.969 20 0 JFADHN Cc1ccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001289750634 1061372077 /nfs/dbraw/zinc/37/20/77/1061372077.db2.gz ITELUXMRIANLBB-OAQYLSRUSA-N 0 3 483.661 2.902 20 0 JFADHN Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C)CN2CCCC2)cc1C ZINC001289810605 1061457000 /nfs/dbraw/zinc/45/70/00/1061457000.db2.gz VOJAYAQPPKARND-AVRDEDQJSA-N 0 3 475.659 2.829 20 0 JFADHN Cc1ccc(OCc2nnc(N3CCN(CC4CCOCC4)CC3)n2CCC(=O)NC(C)C)cc1C ZINC001289825867 1061500251 /nfs/dbraw/zinc/50/02/51/1061500251.db2.gz LVQJKNFQJWRUEE-UHFFFAOYSA-N 0 3 498.672 2.937 20 0 JFADHN Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H](C)CN2CCCCC2)cc1C ZINC001289834222 1061510907 /nfs/dbraw/zinc/51/09/07/1061510907.db2.gz UMXZCNKMDFGWAN-LJQANCHMSA-N 0 3 475.659 2.831 20 0 JFADHN CC(=O)NC1CCN(c2nnc(CC(C)C)n2CCCN2CCN(c3ccccc3)CC2)CC1 ZINC001286919764 1061511337 /nfs/dbraw/zinc/51/13/37/1061511337.db2.gz VNDCLBJTEXUDTH-UHFFFAOYSA-N 0 3 467.662 2.794 20 0 JFADHN CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CC=CCC2)C1 ZINC001286922313 1061521906 /nfs/dbraw/zinc/52/19/06/1061521906.db2.gz SFZICDVEKOCXLD-KRWDZBQOSA-N 0 3 476.423 2.650 20 0 JFADHN Cc1ccc(S(=O)(=O)NCCn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(C)C)CC2)s1 ZINC001289856006 1061533011 /nfs/dbraw/zinc/53/30/11/1061533011.db2.gz LQCHTVSSRFQBBT-IBGZPJMESA-N 0 3 496.703 2.646 20 0 JFADHN CC(=O)NCC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCCCC2)CC1 ZINC001286927525 1061544090 /nfs/dbraw/zinc/54/40/90/1061544090.db2.gz SDKPCNWETBAUHU-UHFFFAOYSA-N 0 3 481.645 2.986 20 0 JFADHN CCC[C@H]1CN(c2nnc(CC)n2CCc2nccc(C(F)(F)F)n2)CCN1CCOC ZINC001294092294 1061572203 /nfs/dbraw/zinc/57/22/03/1061572203.db2.gz WDVLCTIMCFAETM-INIZCTEOSA-N 0 3 455.529 2.829 20 0 JFADHN Cc1cccc(C(=O)NCCn2c(Cc3cccnc3)nnc2N2CCN(CC(C)C)CC2)c1 ZINC001289894795 1061580118 /nfs/dbraw/zinc/58/01/18/1061580118.db2.gz XNTQPVICRKWHOI-UHFFFAOYSA-N 0 3 461.614 2.780 20 0 JFADHN CCCCCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1)C(C)C ZINC001294115808 1061597334 /nfs/dbraw/zinc/59/73/34/1061597334.db2.gz LDEGUIRSCCBCGP-FQEVSTJZSA-N 0 3 468.712 2.611 20 0 JFADHN CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294117352 1061599385 /nfs/dbraw/zinc/59/93/85/1061599385.db2.gz WOJVKSQAILLYCX-UGKGYDQZSA-N 0 3 475.682 2.766 20 0 JFADHN CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CC=CCC2)CCO1 ZINC001286943259 1061600011 /nfs/dbraw/zinc/60/00/11/1061600011.db2.gz ZOKZXHVZQCEGMS-QHCPKHFHSA-N 0 3 466.630 2.846 20 0 JFADHN Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H](c2cccc(F)c2)N(C)C)n1 ZINC001289965829 1061671770 /nfs/dbraw/zinc/67/17/70/1061671770.db2.gz UFPABOSJFVLDQP-GHTZIAJQSA-N 0 3 451.550 2.792 20 0 JFADHN CCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001294195301 1061703111 /nfs/dbraw/zinc/70/31/11/1061703111.db2.gz AUDKHHPLWRNASX-KNQAVFIVSA-N 0 3 470.618 2.970 20 0 JFADHN CCCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001294196962 1061704916 /nfs/dbraw/zinc/70/49/16/1061704916.db2.gz SOVCVUHWXDXBMN-FQEVSTJZSA-N 0 3 493.697 2.849 20 0 JFADHN Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC[C@H](C)N(C)Cc2ccccc2)n1 ZINC001289992662 1061718103 /nfs/dbraw/zinc/71/81/03/1061718103.db2.gz RCSMSAVTCPCXRR-FQEVSTJZSA-N 0 3 468.627 2.794 20 0 JFADHN Cc1cccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2CCCO)c1 ZINC001289997496 1061721264 /nfs/dbraw/zinc/72/12/64/1061721264.db2.gz FVVOTPNCNLRBLL-YADHBBJMSA-N 0 3 454.619 2.913 20 0 JFADHN Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(CCC(C)(C)C)CC2)n1 ZINC001290003414 1061729674 /nfs/dbraw/zinc/72/96/74/1061729674.db2.gz PCYCRJSJAYXFLR-FQEVSTJZSA-N 0 3 491.706 2.783 20 0 JFADHN CCCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001294220798 1061731875 /nfs/dbraw/zinc/73/18/75/1061731875.db2.gz PPXVYDFLJMVTFS-UHFFFAOYSA-N 0 3 463.586 2.740 20 0 JFADHN CCCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001294220798 1061731893 /nfs/dbraw/zinc/73/18/93/1061731893.db2.gz PPXVYDFLJMVTFS-UHFFFAOYSA-N 0 3 463.586 2.740 20 0 JFADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C1CC1)N(C)C ZINC001286973389 1061760812 /nfs/dbraw/zinc/76/08/12/1061760812.db2.gz QJXUXYXTQGGGIL-IIYDPXPESA-N 0 3 487.468 2.634 20 0 JFADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](C1CCCCC1)N(C)C ZINC001286976586 1061785037 /nfs/dbraw/zinc/78/50/37/1061785037.db2.gz PCLGPHISMQUQIR-KOUHRCEDSA-N 0 3 469.696 2.940 20 0 JFADHN CCCCN1CCCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCS(C)(=O)=O ZINC001294309572 1061800337 /nfs/dbraw/zinc/80/03/37/1061800337.db2.gz XPUQCMAEVYKSFX-HXUWFJFHSA-N 0 3 491.658 2.852 20 0 JFADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCCC1 ZINC001286979980 1061810310 /nfs/dbraw/zinc/81/03/10/1061810310.db2.gz JVHDUEQMOYFBPK-PMACEKPBSA-N 0 3 485.658 2.875 20 0 JFADHN Cc1cccc(OCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC001290086570 1061819081 /nfs/dbraw/zinc/81/90/81/1061819081.db2.gz SVXSAQYYQULYHT-JOCHJYFZSA-N 0 3 468.646 2.997 20 0 JFADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCCCC1 ZINC001286983456 1061835678 /nfs/dbraw/zinc/83/56/78/1061835678.db2.gz VZYRYURCUKEWNM-OALUTQOASA-N 0 3 491.658 2.850 20 0 JFADHN CC(C)(C)c1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1cccnc1OCC(F)F ZINC001287009263 1061937463 /nfs/dbraw/zinc/93/74/63/1061937463.db2.gz UYYODGCDDXXWDW-UHFFFAOYSA-N 0 3 464.561 2.964 20 0 JFADHN Cc1ccccc1O[C@H](C)Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001290198532 1061939956 /nfs/dbraw/zinc/93/99/56/1061939956.db2.gz CGSSBWVIAQPLRE-NHCUHLMSSA-N 0 3 454.619 2.920 20 0 JFADHN CCCCOCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001294409684 1061976961 /nfs/dbraw/zinc/97/69/61/1061976961.db2.gz ABRKQPFGNGRVBN-HSZRJFAPSA-N 0 3 468.646 2.737 20 0 JFADHN CCCCOCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001294409685 1061977279 /nfs/dbraw/zinc/97/72/79/1061977279.db2.gz ABRKQPFGNGRVBN-QHCPKHFHSA-N 0 3 468.646 2.737 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(Cc3cccnc3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001287040947 1062008508 /nfs/dbraw/zinc/00/85/08/1062008508.db2.gz BKNPHUYFYJKKBE-UHFFFAOYSA-N 0 3 467.540 2.501 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(CC3CCCC3)n2CCCNS(C)(=O)=O)CC1 ZINC001287042115 1062011298 /nfs/dbraw/zinc/01/12/98/1062011298.db2.gz ZRRPXJIOSQDKHG-UHFFFAOYSA-N 0 3 454.685 2.508 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(-c3ccccc3Cl)n2CCC(=O)N2CCOCC2)CC1 ZINC001287042508 1062012789 /nfs/dbraw/zinc/01/27/89/1062012789.db2.gz BHQGOLYFVIYBFO-UHFFFAOYSA-N 0 3 461.010 2.768 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(Cc3ccccc3F)n2CC(=O)NCC(F)(F)F)CC1 ZINC001287044583 1062020147 /nfs/dbraw/zinc/02/01/47/1062020147.db2.gz USSHCSDITWTLND-UHFFFAOYSA-N 0 3 456.488 2.607 20 0 JFADHN CC(C)OCCN1CCC(NC(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CC1 ZINC001294501887 1062037647 /nfs/dbraw/zinc/03/76/47/1062037647.db2.gz ADTLSPJMBJPISG-GOSISDBHSA-N 0 3 451.995 2.573 20 0 JFADHN C[C@H](C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC001290321200 1062046994 /nfs/dbraw/zinc/04/69/94/1062046994.db2.gz YEUGATXKRNCNNQ-HSZRJFAPSA-N 0 3 454.659 2.876 20 0 JFADHN CCCN(CC)CCn1c(-c2cnccn2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC001294515200 1062050871 /nfs/dbraw/zinc/05/08/71/1062050871.db2.gz FISZUECJCOAPIW-UHFFFAOYSA-N 0 3 483.642 2.910 20 0 JFADHN Cc1csc(N2CCN(c3nnc(CC(C)(C)C)n3CCN3CCN(C)C(C)(C)C3)CC2)n1 ZINC001290353126 1062064412 /nfs/dbraw/zinc/06/44/12/1062064412.db2.gz GRUPJVYXVBNSPT-UHFFFAOYSA-N 0 3 474.723 2.984 20 0 JFADHN CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@](C)(O)C1CC1 ZINC001287056394 1062076523 /nfs/dbraw/zinc/07/65/23/1062076523.db2.gz GTVOGKCKAUVICB-KBMIEXCESA-N 0 3 492.665 2.668 20 0 JFADHN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@](C)(O)C1CC1 ZINC001287056392 1062076587 /nfs/dbraw/zinc/07/65/87/1062076587.db2.gz GTVOGKCKAUVICB-DFBJGRDBSA-N 0 3 492.665 2.668 20 0 JFADHN CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCCO1 ZINC001287057018 1062079589 /nfs/dbraw/zinc/07/95/89/1062079589.db2.gz NXQNVBPPZXKGFC-RTBURBONSA-N 0 3 478.638 2.686 20 0 JFADHN O=C(CCCN1CCN(c2ccccc2)CC1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC001290400529 1062102162 /nfs/dbraw/zinc/10/21/62/1062102162.db2.gz JISAGCXHLHEIBL-VWLOTQADSA-N 0 3 454.590 2.918 20 0 JFADHN CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001294611881 1062120841 /nfs/dbraw/zinc/12/08/41/1062120841.db2.gz DAHXYPGGYPWVEA-LJQANCHMSA-N 0 3 462.639 2.961 20 0 JFADHN Cc1nc(Cc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H](c2cccs2)N(C)C)cs1 ZINC001290410435 1062127238 /nfs/dbraw/zinc/12/72/38/1062127238.db2.gz CWIJHBKBFFPVED-IIBYNOLFSA-N 0 3 459.645 2.700 20 0 JFADHN CC(C)(C)OC(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001287069836 1062186420 /nfs/dbraw/zinc/18/64/20/1062186420.db2.gz MEHSBGXZMCYRJT-UHFFFAOYSA-N 0 3 499.660 2.727 20 0 JFADHN Cc1nc(Cc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H](c2cccc(F)c2)N(C)C)cs1 ZINC001290430982 1062188608 /nfs/dbraw/zinc/18/86/08/1062188608.db2.gz GOEYLJQUFXOZTJ-QRWLVFNGSA-N 0 3 471.606 2.743 20 0 JFADHN CC(C)(C)OC(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001287070942 1062197168 /nfs/dbraw/zinc/19/71/68/1062197168.db2.gz SXEUAQJLEWGONV-UHFFFAOYSA-N 0 3 491.662 2.715 20 0 JFADHN CCCN1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC001294661000 1062210926 /nfs/dbraw/zinc/21/09/26/1062210926.db2.gz HYNDZBPVBGOQNG-FPOVZHCZSA-N 0 3 463.623 2.753 20 0 JFADHN CCCN1CC[C@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001294662438 1062214442 /nfs/dbraw/zinc/21/44/42/1062214442.db2.gz NAFFZGRAHNGJDO-OALUTQOASA-N 0 3 472.659 2.951 20 0 JFADHN CCCN1CCC(N(C)c2nnc([C@@H]3COc4ccccc4O3)n2CC[S@@](=O)CC)CC1 ZINC001294684180 1062243953 /nfs/dbraw/zinc/24/39/53/1062243953.db2.gz SWQNNHOTLCGXCG-MNAQKMTRSA-N 0 3 461.632 2.870 20 0 JFADHN CN(C)CCn1c2cc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCCC3)ccc2[nH]c1=O ZINC001290473463 1062263369 /nfs/dbraw/zinc/26/33/69/1062263369.db2.gz VIPGHYAYEGMZMC-UHFFFAOYSA-N 0 3 450.543 2.645 20 0 JFADHN CC(C)(O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001287099702 1062308240 /nfs/dbraw/zinc/30/82/40/1062308240.db2.gz LUXAXBZJYGXLTN-OAHLLOKOSA-N 0 3 482.398 2.776 20 0 JFADHN CCCN1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1=O ZINC001294733190 1062314176 /nfs/dbraw/zinc/31/41/76/1062314176.db2.gz LBRUHQHFDKLAPM-FCHUYYIVSA-N 0 3 454.619 2.842 20 0 JFADHN CCN(CC)[C@H](CNC(=O)c1cnn(C)c1I)c1cccc(OC)c1 ZINC001290520928 1062320406 /nfs/dbraw/zinc/32/04/06/1062320406.db2.gz RNOVDNPIVVXQSG-MRXNPFEDSA-N 0 3 456.328 2.846 20 0 JFADHN CCCN1CCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCCS(C)(=O)=O ZINC001294751502 1062340977 /nfs/dbraw/zinc/34/09/77/1062340977.db2.gz XMNDDNZQZRLFAJ-KRWDZBQOSA-N 0 3 455.028 2.739 20 0 JFADHN CCCn1nc(-c2nnc(N3C[C@@H](C)N(CC)C[C@H]3C)n2CC(=O)NC(C)C)c2ccccc2c1=O ZINC001294768370 1062362839 /nfs/dbraw/zinc/36/28/39/1062362839.db2.gz NPYZCRJTZAWZRN-RTBURBONSA-N 0 3 494.644 2.509 20 0 JFADHN CCCNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)c1 ZINC001294770398 1062368474 /nfs/dbraw/zinc/36/84/74/1062368474.db2.gz FTHXHNWUFSUTBK-OALUTQOASA-N 0 3 469.634 2.523 20 0 JFADHN CCCNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)c1 ZINC001294771165 1062370114 /nfs/dbraw/zinc/37/01/14/1062370114.db2.gz NRWVMKIRYYFLQX-PMACEKPBSA-N 0 3 481.645 2.621 20 0 JFADHN CC(C)C(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001287124292 1062381499 /nfs/dbraw/zinc/38/14/99/1062381499.db2.gz HMNRCLCGZRWWME-YADHBBJMSA-N 0 3 489.709 2.534 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC2(N(C)C)CCCCC2)n1 ZINC001290586680 1062396651 /nfs/dbraw/zinc/39/66/51/1062396651.db2.gz OSDSAUWBCPMBTN-UXHICEINSA-N 0 3 479.695 2.662 20 0 JFADHN CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001294797297 1062432251 /nfs/dbraw/zinc/43/22/51/1062432251.db2.gz SBZXEGFLRMECBV-DNVJHFABSA-N 0 3 495.672 2.837 20 0 JFADHN CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001294799479 1062439746 /nfs/dbraw/zinc/43/97/46/1062439746.db2.gz GEXWJMPUIPDZGJ-VSKRKVRLSA-N 0 3 454.619 2.828 20 0 JFADHN CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001294799477 1062439880 /nfs/dbraw/zinc/43/98/80/1062439880.db2.gz GEXWJMPUIPDZGJ-BHIFYINESA-N 0 3 454.619 2.828 20 0 JFADHN CC(C)[C@@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(C(C)(C)C)CC1 ZINC001287148341 1062516140 /nfs/dbraw/zinc/51/61/40/1062516140.db2.gz MTXJAUYYZALJEI-VWLOTQADSA-N 0 3 467.618 2.520 20 0 JFADHN CCCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001294833339 1062522418 /nfs/dbraw/zinc/52/24/18/1062522418.db2.gz YYXJNKWNVBDSIJ-HSZRJFAPSA-N 0 3 495.672 2.754 20 0 JFADHN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN2CC=CCC2)CC1 ZINC001287151403 1062522988 /nfs/dbraw/zinc/52/29/88/1062522988.db2.gz ARHGTMAVCGTXLV-HXUWFJFHSA-N 0 3 451.619 2.979 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCCC[C@H](C)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)n1 ZINC001290640134 1062526388 /nfs/dbraw/zinc/52/63/88/1062526388.db2.gz RSQCVBZQMXHNJW-UGKGYDQZSA-N 0 3 470.666 2.709 20 0 JFADHN CCCNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001294838398 1062528998 /nfs/dbraw/zinc/52/89/98/1062528998.db2.gz LNZWAVWBRZSPMO-UHFFFAOYSA-N 0 3 490.612 2.554 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCN(C4CCOCC4)C[C@H]3C)n2CCCOCC(C)C)n1 ZINC001290645054 1062533691 /nfs/dbraw/zinc/53/36/91/1062533691.db2.gz DIKJXNYLJFLEDB-JOCHJYFZSA-N 0 3 473.666 2.892 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2CCCNC(=O)c2occc2C)n1 ZINC001290647691 1062542404 /nfs/dbraw/zinc/54/24/04/1062542404.db2.gz YQSFAKNUXDIPRJ-UHFFFAOYSA-N 0 3 482.633 2.639 20 0 JFADHN CCCNC(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001294858491 1062558837 /nfs/dbraw/zinc/55/88/37/1062558837.db2.gz CRRFGDIBQSDBLU-UHFFFAOYSA-N 0 3 480.661 2.991 20 0 JFADHN CC(C)c1ncc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCC2)cn1 ZINC001287173177 1062595217 /nfs/dbraw/zinc/59/52/17/1062595217.db2.gz HULYDZNAXIMWPQ-IBGZPJMESA-N 0 3 475.663 2.604 20 0 JFADHN CC(C)c1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001287173402 1062595783 /nfs/dbraw/zinc/59/57/83/1062595783.db2.gz BZJGBOFFCHQZKK-OAQYLSRUSA-N 0 3 489.734 2.999 20 0 JFADHN Cc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001290709437 1062642901 /nfs/dbraw/zinc/64/29/01/1062642901.db2.gz PYINSOQTHWNMFT-UHFFFAOYSA-N 0 3 484.649 2.951 20 0 JFADHN Cc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001290708573 1062642934 /nfs/dbraw/zinc/64/29/34/1062642934.db2.gz GYCPOLRRVCYIDV-UHFFFAOYSA-N 0 3 479.633 2.962 20 0 JFADHN Cc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001290710067 1062642946 /nfs/dbraw/zinc/64/29/46/1062642946.db2.gz UMBNTTBZMLIXJW-SFHVURJKSA-N 0 3 460.627 2.639 20 0 JFADHN CC(C)c1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001287205247 1062650037 /nfs/dbraw/zinc/65/00/37/1062650037.db2.gz BCLXJSXESOLLAF-VSKRKVRLSA-N 0 3 460.667 2.987 20 0 JFADHN CC(C)c1nnc(N2CCC=C(Br)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001287208530 1062654922 /nfs/dbraw/zinc/65/49/22/1062654922.db2.gz UQUFIBILISINCN-QGZVFWFLSA-N 0 3 453.429 2.833 20 0 JFADHN CC(C)c1nnc(N2CCC=C(Br)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001287208529 1062654953 /nfs/dbraw/zinc/65/49/53/1062654953.db2.gz UQUFIBILISINCN-KRWDZBQOSA-N 0 3 453.429 2.833 20 0 JFADHN CCCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)CC1 ZINC001294920986 1062687859 /nfs/dbraw/zinc/68/78/59/1062687859.db2.gz UCNLDXMFPVLBKQ-IBGZPJMESA-N 0 3 477.654 2.654 20 0 JFADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)COc1cccc(I)c1 ZINC001294923659 1062692325 /nfs/dbraw/zinc/69/23/25/1062692325.db2.gz UXAKOOGZQNUHFB-UHFFFAOYSA-N 0 3 454.308 2.966 20 0 JFADHN CC(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC001287216922 1062695131 /nfs/dbraw/zinc/69/51/31/1062695131.db2.gz WGASBHFRWHBKJG-UHFFFAOYSA-N 0 3 453.635 2.671 20 0 JFADHN CC(C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001287220687 1062705892 /nfs/dbraw/zinc/70/58/92/1062705892.db2.gz ZQWBZFIHVRRNLZ-UYAOXDASSA-N 0 3 488.599 2.744 20 0 JFADHN Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3CN(Cc4ccccc4)CCO3)CC2)c1 ZINC001290806801 1062709338 /nfs/dbraw/zinc/70/93/38/1062709338.db2.gz YEIDRICYCDZZGU-SANMLTNESA-N 0 3 450.627 2.914 20 0 JFADHN CC(C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCNC(=O)c1ccccc1F ZINC001287223602 1062710299 /nfs/dbraw/zinc/71/02/99/1062710299.db2.gz NYOQHEFFRTYXTM-UHFFFAOYSA-N 0 3 458.582 2.519 20 0 JFADHN CN1CCN(CCCNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@@H](c2ccccc2)C1 ZINC001290819212 1062715274 /nfs/dbraw/zinc/71/52/74/1062715274.db2.gz CWUZEUNSESDFMM-WMZHIEFXSA-N 0 3 456.537 2.813 20 0 JFADHN Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@H](c1ccco1)N1CCCCC1 ZINC001290824120 1062717998 /nfs/dbraw/zinc/71/79/98/1062717998.db2.gz MUBZUZQZDVFMEQ-WOJBJXKFSA-N 0 3 464.636 2.515 20 0 JFADHN CC(C)[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2N(C)CCCC2(C)C)CCO1 ZINC001287273859 1062746871 /nfs/dbraw/zinc/74/68/71/1062746871.db2.gz GJJCBYAQJFUNKN-MOPGFXCFSA-N 0 3 455.607 2.907 20 0 JFADHN CCN1CCN(CCCNC(=O)c2c(Cl)ccc(I)c2F)CC1 ZINC001290867708 1062750165 /nfs/dbraw/zinc/75/01/65/1062750165.db2.gz BYFRDABTBVLTQA-UHFFFAOYSA-N 0 3 453.727 2.841 20 0 JFADHN CCN1CCN(CCCNC(=O)[C@@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)CC1 ZINC001290867846 1062750899 /nfs/dbraw/zinc/75/08/99/1062750899.db2.gz DOENWFJECMDKQO-JOCHJYFZSA-N 0 3 457.619 2.748 20 0 JFADHN CC(C)[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCC2)CCO1 ZINC001287277497 1062754715 /nfs/dbraw/zinc/75/47/15/1062754715.db2.gz RKDWTUHTLHJWBU-FQEVSTJZSA-N 0 3 461.632 2.694 20 0 JFADHN Cc1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)n1CCN(C)Cc1ccccc1 ZINC001290870822 1062756876 /nfs/dbraw/zinc/75/68/76/1062756876.db2.gz YDBFUKWURKBGIH-URXFXBBRSA-N 0 3 467.662 2.535 20 0 JFADHN Cc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC001290872043 1062757536 /nfs/dbraw/zinc/75/75/36/1062757536.db2.gz PXVVLBCUIQEUGV-MOPGFXCFSA-N 0 3 465.568 2.870 20 0 JFADHN CCCOc1ncccc1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001294976867 1062760953 /nfs/dbraw/zinc/76/09/53/1062760953.db2.gz DMWLWUUTZAYTSZ-TZIWHRDSSA-N 0 3 469.634 2.767 20 0 JFADHN Cc1nnc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001290887420 1062766260 /nfs/dbraw/zinc/76/62/60/1062766260.db2.gz FAWHIEFKMFEMQW-NHCUHLMSSA-N 0 3 479.000 2.900 20 0 JFADHN Cc1nnc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001290887421 1062766456 /nfs/dbraw/zinc/76/64/56/1062766456.db2.gz FAWHIEFKMFEMQW-RTWAWAEBSA-N 0 3 479.000 2.900 20 0 JFADHN CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N(C)C ZINC001287321574 1062798753 /nfs/dbraw/zinc/79/87/53/1062798753.db2.gz JQVNKWFWGIYXKU-MSOLQXFVSA-N 0 3 469.055 2.983 20 0 JFADHN CC(C)C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1)[NH+](C)C ZINC001287327806 1062801827 /nfs/dbraw/zinc/80/18/27/1062801827.db2.gz BCQUEEQFSRJJOA-IBGZPJMESA-N 0 3 465.602 2.918 20 0 JFADHN CC(C)Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 ZINC001287356019 1062826286 /nfs/dbraw/zinc/82/62/86/1062826286.db2.gz JVTGNGGSOBIGCF-FCHUYYIVSA-N 0 3 459.660 2.665 20 0 JFADHN CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC2CC2)CC1 ZINC001295044921 1062843641 /nfs/dbraw/zinc/84/36/41/1062843641.db2.gz DUNVKJXPINBWIV-UYAOXDASSA-N 0 3 462.639 2.960 20 0 JFADHN CC(C)Cc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001287403581 1062846365 /nfs/dbraw/zinc/84/63/65/1062846365.db2.gz OBTJWRHKXXWLPK-GAJHUEQPSA-N 0 3 473.647 2.656 20 0 JFADHN CC(C)Cc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001287403584 1062846754 /nfs/dbraw/zinc/84/67/54/1062846754.db2.gz OBTJWRHKXXWLPK-UZUQRXQVSA-N 0 3 473.647 2.656 20 0 JFADHN CCN(C)C(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001295052606 1062855731 /nfs/dbraw/zinc/85/57/31/1062855731.db2.gz BUSURYUEVOMWMW-RBUKOAKNSA-N 0 3 455.607 2.544 20 0 JFADHN CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001287445496 1062879760 /nfs/dbraw/zinc/87/97/60/1062879760.db2.gz AUIPWUIEDIDNCS-SFTDATJTSA-N 0 3 489.709 2.550 20 0 JFADHN CCN(C)C(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001295068019 1062888053 /nfs/dbraw/zinc/88/80/53/1062888053.db2.gz YLVJAAZTKYRALF-UHFFFAOYSA-N 0 3 456.591 2.505 20 0 JFADHN CC(C)O[C@@]1(c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCOC1 ZINC001291002500 1062899926 /nfs/dbraw/zinc/89/99/26/1062899926.db2.gz VMINUOSMSZRGNO-SRCYTUNASA-N 0 3 490.693 2.744 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C(=O)C(C)C)CC2)n1CCCN1CCN(c2ccccc2)CC1 ZINC001287463404 1062905552 /nfs/dbraw/zinc/90/55/52/1062905552.db2.gz ZBDZMZMUIZAAJZ-UHFFFAOYSA-N 0 3 481.689 2.994 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001287464934 1062909817 /nfs/dbraw/zinc/90/98/17/1062909817.db2.gz TXWDZLWCZBXODW-QPPBQGQZSA-N 0 3 460.667 2.672 20 0 JFADHN CC(C)Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001287466118 1062914115 /nfs/dbraw/zinc/91/41/15/1062914115.db2.gz WHBGJYBVMLBMHU-NZQKXSOJSA-N 0 3 467.662 2.569 20 0 JFADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001291022730 1062941969 /nfs/dbraw/zinc/94/19/69/1062941969.db2.gz KXAOQIMLTGVQSM-QRVBRYPASA-N 0 3 482.695 2.547 20 0 JFADHN CCN(c1nnc(C(=O)NC(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C)C1CCCCC1 ZINC001295133853 1062951087 /nfs/dbraw/zinc/95/10/87/1062951087.db2.gz BBMVNHTVBDRYPJ-FQEVSTJZSA-N 0 3 461.655 2.518 20 0 JFADHN CC(C)Cc1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001287506459 1062954755 /nfs/dbraw/zinc/95/47/55/1062954755.db2.gz SNZCOVJKXUBZHY-MSOLQXFVSA-N 0 3 464.565 2.940 20 0 JFADHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1csc(I)c1 ZINC001295145924 1062966735 /nfs/dbraw/zinc/96/67/35/1062966735.db2.gz HRJSYPGARFRYCW-HOTGVXAUSA-N 0 3 456.349 2.966 20 0 JFADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc(I)cc1 ZINC001295145558 1062967133 /nfs/dbraw/zinc/96/71/33/1062967133.db2.gz FUBNQVBMKJQYFQ-PKOBYXMFSA-N 0 3 450.320 2.904 20 0 JFADHN CC(C)CC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001287547200 1062979990 /nfs/dbraw/zinc/97/99/90/1062979990.db2.gz JMXKOFJVIHWGEU-SANMLTNESA-N 0 3 470.662 3.000 20 0 JFADHN CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295169339 1062992725 /nfs/dbraw/zinc/99/27/25/1062992725.db2.gz FKVHQAWGLQCQCA-SFHVURJKSA-N 0 3 467.039 2.883 20 0 JFADHN CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295193550 1063013680 /nfs/dbraw/zinc/01/36/80/1063013680.db2.gz IQTFEDPGAKEXFM-FPOVZHCZSA-N 0 3 460.648 2.782 20 0 JFADHN CC(C)CCOc1ccc(-c2nnc(N3CCN(C4CCOCC4)CC3)n2CC(=O)N(C)C)cc1 ZINC001287636387 1063015790 /nfs/dbraw/zinc/01/57/90/1063015790.db2.gz OXMUMGMYXIZVFO-UHFFFAOYSA-N 0 3 484.645 2.759 20 0 JFADHN CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295215890 1063029027 /nfs/dbraw/zinc/02/90/27/1063029027.db2.gz BIXIKGUVRZFRHJ-ZWKOTPCHSA-N 0 3 481.613 2.892 20 0 JFADHN CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295236201 1063057275 /nfs/dbraw/zinc/05/72/75/1063057275.db2.gz HKKZTLJNFNWPBF-IEBWSBKVSA-N 0 3 451.662 2.676 20 0 JFADHN CCN(c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295243897 1063063126 /nfs/dbraw/zinc/06/31/26/1063063126.db2.gz ICFZOPHOCCRXNO-FQEVSTJZSA-N 0 3 472.659 2.882 20 0 JFADHN CC(C)CN1CCC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001287739967 1063064224 /nfs/dbraw/zinc/06/42/24/1063064224.db2.gz BYQWMMOACFNWCA-SIKLNZKXSA-N 0 3 493.649 2.988 20 0 JFADHN CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC001287742520 1063069819 /nfs/dbraw/zinc/06/98/19/1063069819.db2.gz UVGVCKZTGVDADK-UHFFFAOYSA-N 0 3 482.608 2.762 20 0 JFADHN CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295264976 1063081500 /nfs/dbraw/zinc/08/15/00/1063081500.db2.gz ZWEMKXXJEIGICW-XRXFAXGQSA-N 0 3 481.707 2.942 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCCO2)CC1 ZINC001287768888 1063095193 /nfs/dbraw/zinc/09/51/93/1063095193.db2.gz LKUMTHSRCCBSFR-SFTDATJTSA-N 0 3 492.665 2.934 20 0 JFADHN CCN(CC(C)C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001295285449 1063131986 /nfs/dbraw/zinc/13/19/86/1063131986.db2.gz RHJKPEVODDOPPX-FCHUYYIVSA-N 0 3 492.690 2.705 20 0 JFADHN C[C@@H]1CCCN(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(CO)CC2)C1 ZINC001291126798 1063156840 /nfs/dbraw/zinc/15/68/40/1063156840.db2.gz SXGGEKAXKSMKDQ-GOSISDBHSA-N 0 3 475.037 2.802 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCN1CCC[C@H](C)C1 ZINC001291127112 1063160319 /nfs/dbraw/zinc/16/03/19/1063160319.db2.gz YXALBVUYHAZGNZ-HRAATJIYSA-N 0 3 474.572 2.678 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CCN1CCC[C@@H](C)C1 ZINC001291127098 1063160340 /nfs/dbraw/zinc/16/03/40/1063160340.db2.gz YQFRHIMKEPQEDB-RTWAWAEBSA-N 0 3 481.645 2.638 20 0 JFADHN CCN(CC)C(=O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)cc1 ZINC001295303095 1063163116 /nfs/dbraw/zinc/16/31/16/1063163116.db2.gz QNXZEDIYVJWZBH-SFTDATJTSA-N 0 3 495.672 2.963 20 0 JFADHN C[C@@H]1CCCN1CCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001291136391 1063191980 /nfs/dbraw/zinc/19/19/80/1063191980.db2.gz VVHUBUMWQVTVCK-QGZVFWFLSA-N 0 3 474.009 2.727 20 0 JFADHN C[C@H]1CCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291136566 1063193476 /nfs/dbraw/zinc/19/34/76/1063193476.db2.gz ZLMSKSNQRHWTNG-ROUUACIJSA-N 0 3 484.605 2.513 20 0 JFADHN CC(C)NC(=O)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1C[C@@H](C)N1CCC(C)CC1 ZINC001291140983 1063212937 /nfs/dbraw/zinc/21/29/37/1063212937.db2.gz HKMYUAPPGBJRRJ-LJQANCHMSA-N 0 3 462.639 2.659 20 0 JFADHN C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)N1CCC(C)CC1 ZINC001291142145 1063218988 /nfs/dbraw/zinc/21/89/88/1063218988.db2.gz YWDRLEASWLTBPT-OALUTQOASA-N 0 3 485.599 2.707 20 0 JFADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001291147531 1063233846 /nfs/dbraw/zinc/23/38/46/1063233846.db2.gz AASHNASUSVGHRZ-BRWVUGGUSA-N 0 3 452.650 2.633 20 0 JFADHN CCN(CC)C(=O)CN1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001295334984 1063246288 /nfs/dbraw/zinc/24/62/88/1063246288.db2.gz KZZJGDCZLKETNN-QFIPXVFZSA-N 0 3 455.651 2.695 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCC(O)(Cc3ccc(F)cc3)CC2)n1CCN1CCC(C)CC1 ZINC001291183028 1063279145 /nfs/dbraw/zinc/27/91/45/1063279145.db2.gz DBXIOMRJYGSHKR-UHFFFAOYSA-N 0 3 486.636 2.861 20 0 JFADHN CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001295351944 1063299013 /nfs/dbraw/zinc/29/90/13/1063299013.db2.gz TZXNYIDWDMXHRC-VXKWHMMOSA-N 0 3 469.634 2.669 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001295369298 1063334335 /nfs/dbraw/zinc/33/43/35/1063334335.db2.gz CMABGKFYJBIAAH-WZONZLPQSA-N 0 3 461.632 2.699 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001295379518 1063351013 /nfs/dbraw/zinc/35/10/13/1063351013.db2.gz MJYBHCFMUOYBRW-RBUKOAKNSA-N 0 3 467.680 2.839 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001295380025 1063352412 /nfs/dbraw/zinc/35/24/12/1063352412.db2.gz OFWPWKOPPVKTMQ-ZWKOTPCHSA-N 0 3 496.628 2.515 20 0 JFADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 ZINC001295383649 1063357004 /nfs/dbraw/zinc/35/70/04/1063357004.db2.gz DKPFCINQCXERAQ-HNNXBMFYSA-N 0 3 459.182 2.590 20 0 JFADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)CC1 ZINC001295384266 1063359209 /nfs/dbraw/zinc/35/92/09/1063359209.db2.gz IQNNGHBOYSFFGP-HNNXBMFYSA-N 0 3 453.768 2.962 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001295385574 1063361492 /nfs/dbraw/zinc/36/14/92/1063361492.db2.gz MZXHIVBWJKJYEB-PZJWPPBQSA-N 0 3 463.648 2.828 20 0 JFADHN CCN(CC)[C@H](Cn1c(C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1)c1ccsc1 ZINC001295395902 1063382232 /nfs/dbraw/zinc/38/22/32/1063382232.db2.gz ANCLUWGDDZHVMG-DYESRHJHSA-N 0 3 459.664 2.520 20 0 JFADHN CCN(CC)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)CC1)c1ccco1 ZINC001295403096 1063388236 /nfs/dbraw/zinc/38/82/36/1063388236.db2.gz BZBRRLUDAXUOJY-IBGZPJMESA-N 0 3 499.641 2.614 20 0 JFADHN CCN(CC)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)NC)CC1)c1ccco1 ZINC001295407057 1063397587 /nfs/dbraw/zinc/39/75/87/1063397587.db2.gz PBCQIEDHCBPEDO-AZUAARDMSA-N 0 3 459.595 2.657 20 0 JFADHN CCN(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccco1 ZINC001295407711 1063399718 /nfs/dbraw/zinc/39/97/18/1063399718.db2.gz XOXVYFWFBBMZDI-SFTDATJTSA-N 0 3 458.607 2.953 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2Cc2ccccc2OC2CCCC2)CC1 ZINC001295479570 1063488341 /nfs/dbraw/zinc/48/83/41/1063488341.db2.gz FGVMNFAQHWUGGF-UHFFFAOYSA-N 0 3 454.619 2.947 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(CN3CCCC3=O)cc2)CC1 ZINC001295479743 1063489499 /nfs/dbraw/zinc/48/94/99/1063489499.db2.gz INUGFWBWCQBLPM-UHFFFAOYSA-N 0 3 495.672 2.563 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCC2(C)C)CC1 ZINC001295479982 1063489548 /nfs/dbraw/zinc/48/95/48/1063489548.db2.gz JGQOMQONONIRML-HXUWFJFHSA-N 0 3 496.660 2.742 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(OC)cc2OC)CC1 ZINC001295481279 1063492732 /nfs/dbraw/zinc/49/27/32/1063492732.db2.gz SXAJWPKVAXVNST-UHFFFAOYSA-N 0 3 486.661 2.826 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001295482213 1063497869 /nfs/dbraw/zinc/49/78/69/1063497869.db2.gz GGHNGJXENGFKLG-GOSISDBHSA-N 0 3 461.561 2.766 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCc2c(F)cccc2F)CC1 ZINC001295482294 1063498954 /nfs/dbraw/zinc/49/89/54/1063498954.db2.gz IOEYKQKURJFYQA-UHFFFAOYSA-N 0 3 483.567 2.851 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCCO2)CC1 ZINC001295482316 1063499915 /nfs/dbraw/zinc/49/99/15/1063499915.db2.gz JTVZMXVRSDABKD-LJQANCHMSA-N 0 3 476.025 2.553 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCC[C@@H]2OC)CC1 ZINC001295482363 1063500520 /nfs/dbraw/zinc/50/05/20/1063500520.db2.gz LLTBXGJVPPANKE-UNMCSNQZSA-N 0 3 484.645 2.759 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2cc(F)ccc2F)CC1 ZINC001295482372 1063500558 /nfs/dbraw/zinc/50/05/58/1063500558.db2.gz LVOZMLRLZLPOKT-UHFFFAOYSA-N 0 3 469.540 2.657 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCOc2ccc(F)c(F)c2)CC1 ZINC001295482566 1063502245 /nfs/dbraw/zinc/50/22/45/1063502245.db2.gz TWTCDDKSIWURBH-UHFFFAOYSA-N 0 3 499.566 2.688 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC[C@@](C)(O)c2ccccc2)CC1 ZINC001295482594 1063502816 /nfs/dbraw/zinc/50/28/16/1063502816.db2.gz UOUIUJZLXIONNC-HHHXNRCGSA-N 0 3 491.640 2.628 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)c2ncc(C)s2)CC1 ZINC001295482620 1063503629 /nfs/dbraw/zinc/50/36/29/1063503629.db2.gz VJDNDJLTFQIXLH-SFHVURJKSA-N 0 3 482.658 2.899 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)Oc2cccc(C)c2)CC1 ZINC001295482983 1063505874 /nfs/dbraw/zinc/50/58/74/1063505874.db2.gz ADEIOMGQBXQATR-NRFANRHFSA-N 0 3 492.628 2.501 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H](SC)C(C)(C)C)CC1 ZINC001295483459 1063507663 /nfs/dbraw/zinc/50/76/63/1063507663.db2.gz FLXUWZAQLMBCQU-IBGZPJMESA-N 0 3 474.679 2.503 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccccc2OC)CC1 ZINC001295484287 1063509859 /nfs/dbraw/zinc/50/98/59/1063509859.db2.gz KZEBNOHKTCGFQT-UHFFFAOYSA-N 0 3 465.602 2.515 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCC2CCC(OC)CC2)CC1 ZINC001295484411 1063511213 /nfs/dbraw/zinc/51/12/13/1063511213.db2.gz NEMXXIZMUYYUHI-OOMBGRCJSA-N 0 3 490.693 2.758 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2Cc2cc(F)cc(OC)c2)CC1 ZINC001295484736 1063513327 /nfs/dbraw/zinc/51/33/27/1063513327.db2.gz QWWUDWKJCDYEQR-UHFFFAOYSA-N 0 3 458.582 2.732 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(F)cc2Cl)CC1 ZINC001295485852 1063514991 /nfs/dbraw/zinc/51/49/91/1063514991.db2.gz ZCMILKSKSVZCLI-LJQANCHMSA-N 0 3 493.027 2.808 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001295490901 1063519323 /nfs/dbraw/zinc/51/93/23/1063519323.db2.gz IMQCMSDLYSROAY-UHFFFAOYSA-N 0 3 481.567 2.843 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC2(O)CCCCC2)CC1 ZINC001295491017 1063520759 /nfs/dbraw/zinc/52/07/59/1063520759.db2.gz MVGCGONFPZGWEY-UHFFFAOYSA-N 0 3 482.673 2.863 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C)nc2)CC1 ZINC001295491338 1063522289 /nfs/dbraw/zinc/52/22/89/1063522289.db2.gz SQMGJBFQEBKPBS-UHFFFAOYSA-N 0 3 453.635 2.753 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(C)C)CC1 ZINC001295491275 1063522483 /nfs/dbraw/zinc/52/24/83/1063522483.db2.gz RDCQLFQBOSETNF-UHFFFAOYSA-N 0 3 451.619 2.997 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CC=CCO2)CC1 ZINC001295491253 1063522578 /nfs/dbraw/zinc/52/25/78/1063522578.db2.gz RAALRSSADFJFNF-HSZRJFAPSA-N 0 3 496.656 2.809 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)c2ncc(C)s2)CC1 ZINC001295491617 1063523677 /nfs/dbraw/zinc/52/36/77/1063523677.db2.gz WGEQUPHPTSYXEM-IBGZPJMESA-N 0 3 496.685 2.823 20 0 JFADHN C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC(C)(C)C1 ZINC001291249343 1063525702 /nfs/dbraw/zinc/52/57/02/1063525702.db2.gz CXDRPMCFOIVWAV-HBMCJLEFSA-N 0 3 460.667 2.987 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCC2CCC(OC)CC2)CC1 ZINC001295494481 1063529492 /nfs/dbraw/zinc/52/94/92/1063529492.db2.gz PSSCZKBGBASCGT-LZBANZJXSA-N 0 3 476.666 2.715 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001295553730 1063587063 /nfs/dbraw/zinc/58/70/63/1063587063.db2.gz JWPVSQCXLYOUMG-WZONZLPQSA-N 0 3 461.632 2.699 20 0 JFADHN C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCN(C)Cc2ccccc2)C[C@H](C(F)(F)F)O1 ZINC001291276868 1063588422 /nfs/dbraw/zinc/58/84/22/1063588422.db2.gz TWQBXCMQHKOWDV-PKOBYXMFSA-N 0 3 480.535 2.689 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001295562897 1063596096 /nfs/dbraw/zinc/59/60/96/1063596096.db2.gz IMTCMMOBJTXWEL-AQNXPRMDSA-N 0 3 492.665 2.765 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001295563501 1063597042 /nfs/dbraw/zinc/59/70/42/1063597042.db2.gz MLSHATXGUQVSRD-OPYAIIAOSA-N 0 3 477.631 2.534 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001295567254 1063601855 /nfs/dbraw/zinc/60/18/55/1063601855.db2.gz YUGDSEBOUWKCIF-OAGGEKHMSA-N 0 3 451.559 2.689 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001295572100 1063609092 /nfs/dbraw/zinc/60/90/92/1063609092.db2.gz FYYOAQRKEQULBW-FCGDIQPGSA-N 0 3 455.669 2.550 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001295573687 1063612210 /nfs/dbraw/zinc/61/22/10/1063612210.db2.gz ZZVYYBJTMAACBR-IYWMVGAKSA-N 0 3 469.696 2.940 20 0 JFADHN C[C@H]1CN(CCCn2c(-c3ccc(Br)cc3)nnc2N2CCS(=O)CC2)CCCO1 ZINC001291289548 1063657429 /nfs/dbraw/zinc/65/74/29/1063657429.db2.gz MDGXKMSTOUPWSY-KRWDZBQOSA-N 0 3 496.475 2.777 20 0 JFADHN CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C)o2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001295650892 1063693087 /nfs/dbraw/zinc/69/30/87/1063693087.db2.gz BTXVRMLFMKWVLJ-FQEVSTJZSA-N 0 3 468.606 2.549 20 0 JFADHN CCN(Cc1cnn(C)c1)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccs1)N(C)C ZINC001295663396 1063706633 /nfs/dbraw/zinc/70/66/33/1063706633.db2.gz SNKRAASUYRSHHH-SFHVURJKSA-N 0 3 456.620 2.525 20 0 JFADHN CCN(C[C@H]1CCCO1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001295713671 1063731992 /nfs/dbraw/zinc/73/19/92/1063731992.db2.gz GZZCQMWPTLQBBY-PKTZIBPZSA-N 0 3 484.645 2.713 20 0 JFADHN CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001291342658 1063826395 /nfs/dbraw/zinc/82/63/95/1063826395.db2.gz XUSCKUPWPTUETA-FSSWDIPSSA-N 0 3 481.645 2.590 20 0 JFADHN CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001291343245 1063828375 /nfs/dbraw/zinc/82/83/75/1063828375.db2.gz JDVGAUZPGFAUMC-NRSPTQNISA-N 0 3 458.582 2.719 20 0 JFADHN CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)CCC(F)(F)F ZINC001295829333 1063841058 /nfs/dbraw/zinc/84/10/58/1063841058.db2.gz HOZYGTCGCAAIAY-JKSUJKDBSA-N 0 3 485.942 2.983 20 0 JFADHN CCC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001291345753 1063841301 /nfs/dbraw/zinc/84/13/01/1063841301.db2.gz CYXSOXSMISOHOV-DHIUTWEWSA-N 0 3 495.672 2.761 20 0 JFADHN CCN(CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1)CCC(F)(F)F ZINC001295836222 1063852367 /nfs/dbraw/zinc/85/23/67/1063852367.db2.gz POVLLKWCXRNBGD-UTKZUKDTSA-N 0 3 468.524 2.999 20 0 JFADHN CCN(CCn1c(-c2ccccc2OC)nnc1N1CCN2CCOC[C@H]2C1)CCC(F)(F)F ZINC001295836228 1063852470 /nfs/dbraw/zinc/85/24/70/1063852470.db2.gz PRZCYTKBDWRXBL-GOSISDBHSA-N 0 3 482.551 2.749 20 0 JFADHN CCN(CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1)CCC(F)(F)F ZINC001295836223 1063852702 /nfs/dbraw/zinc/85/27/02/1063852702.db2.gz POVLLKWCXRNBGD-UWJYYQICSA-N 0 3 468.524 2.999 20 0 JFADHN CCN(CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1)CCC(F)(F)F ZINC001295837650 1063855596 /nfs/dbraw/zinc/85/55/96/1063855596.db2.gz ASWLIRMBSJEAHF-SFHVURJKSA-N 0 3 480.539 2.958 20 0 JFADHN CCN(CCn1c(-c2cccnc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1)CCC(F)(F)F ZINC001295838638 1063857230 /nfs/dbraw/zinc/85/72/30/1063857230.db2.gz KXAAZCVSXONHAN-OALUTQOASA-N 0 3 468.524 2.999 20 0 JFADHN CCN(CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(F)cn2)CC1)CCC(F)(F)F ZINC001295842604 1063862936 /nfs/dbraw/zinc/86/29/36/1063862936.db2.gz YUZIMUWUAOBMCY-UHFFFAOYSA-N 0 3 495.529 2.814 20 0 JFADHN COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3C[C@H](SC)[C@@H]([NH+](C)C)C3)c2)c1 ZINC001295851108 1063875211 /nfs/dbraw/zinc/87/52/11/1063875211.db2.gz CGAKLHBIGMDXQJ-FPOVZHCZSA-N 0 3 459.568 2.779 20 0 JFADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COc2ccccc2)C1)C(C)C ZINC001295852620 1063877322 /nfs/dbraw/zinc/87/73/22/1063877322.db2.gz KAZSSPOXNCXDTM-LEWJYISDSA-N 0 3 475.659 2.816 20 0 JFADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)C(C)C ZINC001295857527 1063888513 /nfs/dbraw/zinc/88/85/13/1063888513.db2.gz SBWVTMRXFQAWFK-OWCLPIDISA-N 0 3 451.559 2.545 20 0 JFADHN CCN(CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC001295867559 1063902717 /nfs/dbraw/zinc/90/27/17/1063902717.db2.gz VIISKUVMIPHRBQ-RTBURBONSA-N 0 3 477.654 2.576 20 0 JFADHN COc1ccc(CN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)[C@H](CO)C(C)C)cc1 ZINC001295871736 1063908961 /nfs/dbraw/zinc/90/89/61/1063908961.db2.gz PSCASOHBMVUBGV-HSZRJFAPSA-N 0 3 454.571 2.971 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCN(CC(C)C)C1 ZINC001295880418 1063924810 /nfs/dbraw/zinc/92/48/10/1063924810.db2.gz BOLHYNIOYXSXCU-VQTJNVASSA-N 0 3 455.669 2.759 20 0 JFADHN CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001291389535 1063939686 /nfs/dbraw/zinc/93/96/86/1063939686.db2.gz MRVFQDDQZHRKMO-KBMIEXCESA-N 0 3 474.625 2.872 20 0 JFADHN CCn1cc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccc(C)cc2)N(C)C)cn1 ZINC001295902897 1063957730 /nfs/dbraw/zinc/95/77/30/1063957730.db2.gz WALRDKGJAUMOFK-JOCHJYFZSA-N 0 3 464.618 2.978 20 0 JFADHN CC[C@H](C)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)OC ZINC001291411025 1063986783 /nfs/dbraw/zinc/98/67/83/1063986783.db2.gz FMHDMBZLLCPSJM-VJBMBRPKSA-N 0 3 484.645 2.758 20 0 JFADHN CC[C@@H](C)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1C[C@H]1CCCN(C(C)=O)C1 ZINC001291434182 1064014464 /nfs/dbraw/zinc/01/44/64/1064014464.db2.gz JWNUJFGOCVUPAI-IRLDBZIGSA-N 0 3 470.666 2.847 20 0 JFADHN CC[C@@H](C)c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@@H](c1ccccc1OC)N1CCCC1 ZINC001291436128 1064017120 /nfs/dbraw/zinc/01/71/20/1064017120.db2.gz PKQPJAVWOXNNDV-IRLDBZIGSA-N 0 3 484.645 2.932 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)Nc2ccccc2)C[C@@H]1C ZINC001295975518 1064020397 /nfs/dbraw/zinc/02/03/97/1064020397.db2.gz CSVKUGJLCADHSX-OALUTQOASA-N 0 3 476.585 2.873 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)NCc2ccccc2)C[C@H]1C ZINC001295976049 1064021181 /nfs/dbraw/zinc/02/11/81/1064021181.db2.gz CBNBSDBYYTYIAW-VHSZZVNMSA-N 0 3 498.672 2.944 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(Br)c3)n2Cc2nncn2C)C[C@@H]1C ZINC001295976071 1064021647 /nfs/dbraw/zinc/02/16/47/1064021647.db2.gz CFQPPBFATWELGK-GJZGRUSLSA-N 0 3 459.396 2.803 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC001295977313 1064023015 /nfs/dbraw/zinc/02/30/15/1064023015.db2.gz KDKZQANHOCOHOM-IRXDYDNUSA-N 0 3 480.548 2.622 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2c(C)nn(C)c2C)C[C@@H]1C ZINC001295977245 1064023033 /nfs/dbraw/zinc/02/30/33/1064023033.db2.gz NXVULBPQXDITLG-DLBZAZTESA-N 0 3 485.658 2.666 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(OC)c3)n2CCN2CCOC(C)(C)C2)C[C@H]1C ZINC001295977595 1064024329 /nfs/dbraw/zinc/02/43/29/1064024329.db2.gz OTUVDTMCCIENDF-UXHICEINSA-N 0 3 456.635 2.983 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)N(C)C)C[C@H]1C ZINC001295977874 1064024897 /nfs/dbraw/zinc/02/48/97/1064024897.db2.gz QHKGHFWRVGQICH-HUUCEWRRSA-N 0 3 466.428 2.823 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccn(C)n2)C[C@@H]1C ZINC001295978700 1064026077 /nfs/dbraw/zinc/02/60/77/1064026077.db2.gz SOTOZSSCSKPMMB-IRXDYDNUSA-N 0 3 469.590 2.672 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCOCCS(C)(=O)=O)C[C@H]1C ZINC001295979133 1064027619 /nfs/dbraw/zinc/02/76/19/1064027619.db2.gz UWTSWQJDAISSLK-SJORKVTESA-N 0 3 470.039 2.579 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)C[C@@H]1C ZINC001295980174 1064029533 /nfs/dbraw/zinc/02/95/33/1064029533.db2.gz QVMDUSVTEUKKIL-FKBYEOEOSA-N 0 3 497.688 2.604 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(C)CCCO2)C[C@@H]1C ZINC001295980344 1064030050 /nfs/dbraw/zinc/03/00/50/1064030050.db2.gz YQBJKLSKZCOZCN-AXHZCLLHSA-N 0 3 490.674 2.683 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1(COC)CCC1 ZINC001291470380 1064031438 /nfs/dbraw/zinc/03/14/38/1064031438.db2.gz PGBPJOQPYUPHOM-ONTIZHBOSA-N 0 3 460.667 2.987 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)c2cccc(OC)c2)C[C@H]1C ZINC001295980886 1064031631 /nfs/dbraw/zinc/03/16/31/1064031631.db2.gz PYSKXPWXWOBAQX-CEXWTWQISA-N 0 3 492.690 2.794 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CC(=O)Nc1ccc(F)cc1 ZINC001291470774 1064031982 /nfs/dbraw/zinc/03/19/82/1064031982.db2.gz VDTDPMWOSWCFPN-YYDVJCTNSA-N 0 3 499.635 2.948 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2C[C@@](C)(O)c2ccsc2)C[C@@H]1C ZINC001295981286 1064032111 /nfs/dbraw/zinc/03/21/11/1064032111.db2.gz RATJUFVLRIMZHR-VDNWNZSNSA-N 0 3 451.637 2.890 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2C[C@](C)(O)c2ccsc2)C[C@@H]1C ZINC001295981285 1064032237 /nfs/dbraw/zinc/03/22/37/1064032237.db2.gz RATJUFVLRIMZHR-ORGXJRBJSA-N 0 3 451.637 2.890 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1(C)CCOCC1 ZINC001291471092 1064033385 /nfs/dbraw/zinc/03/33/85/1064033385.db2.gz YWPJVZTVBLRQJC-ONTIZHBOSA-N 0 3 460.667 2.987 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2cnn(C)n2)C[C@@H]1C ZINC001295982286 1064034793 /nfs/dbraw/zinc/03/47/93/1064034793.db2.gz DCELPSBGNOMLJV-ZWKOTPCHSA-N 0 3 468.606 2.643 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCCn2ccnn2)C[C@@H]1C ZINC001295983909 1064040162 /nfs/dbraw/zinc/04/01/62/1064040162.db2.gz XQJKZKGGHNPXLG-JKSUJKDBSA-N 0 3 476.427 2.647 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc4cccnc43)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001295984431 1064041821 /nfs/dbraw/zinc/04/18/21/1064041821.db2.gz MRONBGSVJFPIOP-HZPDHXFCSA-N 0 3 457.529 2.794 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccc(C)c(F)c2)C[C@@H]1C ZINC001295992680 1064047319 /nfs/dbraw/zinc/04/73/19/1064047319.db2.gz FCLZWIRBNWNIKD-ROUUACIJSA-N 0 3 466.565 2.532 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCOC2)C[C@@H]1C ZINC001295993033 1064047965 /nfs/dbraw/zinc/04/79/65/1064047965.db2.gz BUEINEOCDPOXNW-MUGJNUQGSA-N 0 3 478.638 2.542 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)C(C)C)C[C@@H]1C ZINC001295993488 1064048966 /nfs/dbraw/zinc/04/89/66/1064048966.db2.gz HVJCVUMMHRLLTK-VQTJNVASSA-N 0 3 464.618 2.822 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCCO3)n2CC2(OCCOC)CCOCC2)C[C@H]1C ZINC001295993560 1064049317 /nfs/dbraw/zinc/04/93/17/1064049317.db2.gz DBLDQAIIUXXABW-QHAWAJNXSA-N 0 3 465.639 2.651 20 0 JFADHN CCN(CCCn1c(-c2ccccc2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C)S(C)(=O)=O ZINC001295994668 1064050615 /nfs/dbraw/zinc/05/06/15/1064050615.db2.gz VURZKUFIVWVXCQ-VQTJNVASSA-N 0 3 462.664 2.844 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cnccn3)n2CCc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC001295996817 1064052764 /nfs/dbraw/zinc/05/27/64/1064052764.db2.gz NSOGWSCBTBSAHP-MSOLQXFVSA-N 0 3 481.601 2.923 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOC)C[C@H]1C ZINC001295996941 1064053087 /nfs/dbraw/zinc/05/30/87/1064053087.db2.gz NSYVTKFXVRWOEK-MSOLQXFVSA-N 0 3 450.628 2.958 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)C[C@@H]1C ZINC001295997409 1064053231 /nfs/dbraw/zinc/05/32/31/1064053231.db2.gz QQLOJENOMGGUBS-MPGHIAIKSA-N 0 3 465.524 2.805 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCOC)C[C@@H]1C ZINC001295997507 1064053594 /nfs/dbraw/zinc/05/35/94/1064053594.db2.gz RGECSJGLUIRZSO-SLFFLAALSA-N 0 3 480.654 2.932 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC(F)F)C[C@@H]1C ZINC001295998992 1064056203 /nfs/dbraw/zinc/05/62/03/1064056203.db2.gz YHSDKEMYQPLPBA-ZWKOTPCHSA-N 0 3 478.592 2.653 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCC(N3CCCC3=O)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001291508429 1064060004 /nfs/dbraw/zinc/06/00/04/1064060004.db2.gz MCNBHQLMOUNRRH-LEWJYISDSA-N 0 3 459.683 2.656 20 0 JFADHN CC[C@@H](C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1Cc1cccc(C(=O)NC)c1 ZINC001291509491 1064060286 /nfs/dbraw/zinc/06/02/86/1064060286.db2.gz FCMHBFNAGPPPSP-NFBKMPQASA-N 0 3 467.662 2.804 20 0 JFADHN CC[C@@H](C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCNC(=O)c1cccc(OC)c1 ZINC001291510194 1064061697 /nfs/dbraw/zinc/06/16/97/1064061697.db2.gz QUEVKMCMPWBFOY-GGAORHGYSA-N 0 3 497.688 2.835 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCC(NC(=O)COC)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001291510947 1064062749 /nfs/dbraw/zinc/06/27/49/1064062749.db2.gz HHGLTVAATMPBOK-DYESRHJHSA-N 0 3 460.598 2.965 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(C(N)=O)c2)C[C@@H]1C ZINC001296008836 1064062993 /nfs/dbraw/zinc/06/29/93/1064062993.db2.gz BSYOJRUAPQOBTI-ROUUACIJSA-N 0 3 495.653 2.530 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001296009391 1064064335 /nfs/dbraw/zinc/06/43/35/1064064335.db2.gz FURBZMCVJSUZTI-SFTDATJTSA-N 0 3 492.690 2.721 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2ccc(OC)cc2)C[C@@H]1C ZINC001296009327 1064064365 /nfs/dbraw/zinc/06/43/65/1064064365.db2.gz JUGIKQZGTRTXSE-UFYCRDLUSA-N 0 3 470.618 2.796 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCO[C@H]2C)C[C@@H]1C ZINC001296009408 1064064507 /nfs/dbraw/zinc/06/45/07/1064064507.db2.gz GADOHKFVPISREY-AIFLQVKLSA-N 0 3 457.619 2.933 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001296009389 1064064532 /nfs/dbraw/zinc/06/45/32/1064064532.db2.gz FURBZMCVJSUZTI-NHCUHLMSSA-N 0 3 492.690 2.721 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001296009479 1064064866 /nfs/dbraw/zinc/06/48/66/1064064866.db2.gz GSINKCPVGOMQQV-SFTDATJTSA-N 0 3 492.690 2.721 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CC2(C(N)=O)CCOCC2)C[C@H]1C ZINC001296009626 1064065833 /nfs/dbraw/zinc/06/58/33/1064065833.db2.gz HTZORYGPYDWSKW-RTWAWAEBSA-N 0 3 484.645 2.675 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001296009922 1064067459 /nfs/dbraw/zinc/06/74/59/1064067459.db2.gz NVBDUFSHGDYFGY-CNNODRBYSA-N 0 3 475.707 2.910 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CCN1CC=CCC1 ZINC001291517697 1064070392 /nfs/dbraw/zinc/07/03/92/1064070392.db2.gz ZPGOQZLEKWGZBW-GOSISDBHSA-N 0 3 453.591 2.595 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCOC[C@H]2CCOC2)C[C@@H]1C ZINC001296011682 1064071595 /nfs/dbraw/zinc/07/15/95/1064071595.db2.gz QEZKSDQBFJJOFF-FDFHNCONSA-N 0 3 459.639 2.502 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2ccc(F)cc2)C[C@@H]1C ZINC001296013134 1064074006 /nfs/dbraw/zinc/07/40/06/1064074006.db2.gz MHILNJZRMGEOBP-LLDSLBOVSA-N 0 3 475.609 2.968 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(F)cc3)n2Cc2cnn(CCOC)c2)C[C@H]1C ZINC001296014584 1064076366 /nfs/dbraw/zinc/07/63/66/1064076366.db2.gz YOBMUJTUVUBBCB-RTBURBONSA-N 0 3 471.581 2.806 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](F)COC)C[C@@H]1C ZINC001296016846 1064078060 /nfs/dbraw/zinc/07/80/60/1064078060.db2.gz VPTYATMEIUUTOH-VPAKFMSCSA-N 0 3 468.618 2.952 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001296017262 1064078778 /nfs/dbraw/zinc/07/87/78/1064078778.db2.gz XDNDXMMQPORKAC-OALUTQOASA-N 0 3 491.658 2.609 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1cc(F)cc(OC)c1 ZINC001291578190 1064103185 /nfs/dbraw/zinc/10/31/85/1064103185.db2.gz CHSWLAKSHHGKLQ-UWJYYQICSA-N 0 3 458.582 2.730 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1ccc(NC(C)=O)cc1 ZINC001291579682 1064106604 /nfs/dbraw/zinc/10/66/04/1064106604.db2.gz KHYRKLLMHVTAEZ-PGRDOPGGSA-N 0 3 467.618 2.541 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1ccc(NC(C)=O)cc1 ZINC001291579681 1064106635 /nfs/dbraw/zinc/10/66/35/1064106635.db2.gz KHYRKLLMHVTAEZ-GCJKJVERSA-N 0 3 467.618 2.541 20 0 JFADHN CCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001296057204 1064119107 /nfs/dbraw/zinc/11/91/07/1064119107.db2.gz UAJQODGGXZBFTD-NRFANRHFSA-N 0 3 482.633 2.691 20 0 JFADHN CCN1CCC[C@@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O ZINC001296060411 1064125268 /nfs/dbraw/zinc/12/52/68/1064125268.db2.gz ARZQRFGFDBUJKL-GOSISDBHSA-N 0 3 458.632 2.792 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291592313 1064127336 /nfs/dbraw/zinc/12/73/36/1064127336.db2.gz LMSWDYIPZHQJOT-SFTDATJTSA-N 0 3 491.681 2.649 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001296081202 1064148716 /nfs/dbraw/zinc/14/87/16/1064148716.db2.gz QPGYUQQKEKSWGP-QUCCMNQESA-N 0 3 489.020 2.735 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCc1cccc(C(=O)NC)c1 ZINC001291638870 1064186001 /nfs/dbraw/zinc/18/60/01/1064186001.db2.gz KBBVZVJYFXKBED-FPOVZHCZSA-N 0 3 454.619 2.552 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC001291644325 1064197827 /nfs/dbraw/zinc/19/78/27/1064197827.db2.gz OBCWXWCEEVVUAO-UGKGYDQZSA-N 0 3 490.674 2.719 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1C[C@@H](c1ccccc1)N(C)C ZINC001291652431 1064205554 /nfs/dbraw/zinc/20/55/54/1064205554.db2.gz SFWMIZYFGQEOOG-IHPCNDPISA-N 0 3 453.591 2.567 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001296119870 1064206791 /nfs/dbraw/zinc/20/67/91/1064206791.db2.gz BULMQOZRZHGUJV-ZGXWSNOMSA-N 0 3 472.625 2.756 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCN(c3nc(C)c(C)s3)CC2)CC1 ZINC001296120372 1064209477 /nfs/dbraw/zinc/20/94/77/1064209477.db2.gz IFCUGVTVSZNACT-SFHVURJKSA-N 0 3 460.696 2.827 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@H](OC)C2)CC1 ZINC001296120560 1064210600 /nfs/dbraw/zinc/21/06/00/1064210600.db2.gz JLZQRDAGVPVMRL-KNKQGSTJSA-N 0 3 460.598 2.808 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296120563 1064210631 /nfs/dbraw/zinc/21/06/31/1064210631.db2.gz JOQDHXTWRXCZNC-FUHWJXTLSA-N 0 3 480.455 2.677 20 0 JFADHN CC[C@H](C)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001291672384 1064213972 /nfs/dbraw/zinc/21/39/72/1064213972.db2.gz QVHVLUKGDZZUBV-WMZHIEFXSA-N 0 3 468.646 2.970 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001296122348 1064214517 /nfs/dbraw/zinc/21/45/17/1064214517.db2.gz VXNAINAMJUSWDV-RBUKOAKNSA-N 0 3 474.053 2.682 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296122265 1064214666 /nfs/dbraw/zinc/21/46/66/1064214666.db2.gz UXXYOSXIORRAMS-WOJBJXKFSA-N 0 3 463.671 2.873 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296122307 1064214688 /nfs/dbraw/zinc/21/46/88/1064214688.db2.gz VMWFNQNCXCPLKO-DYQZNNLLSA-N 0 3 474.625 2.790 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296122564 1064215095 /nfs/dbraw/zinc/21/50/95/1064215095.db2.gz XTMPBYDRNBDXNL-DCLXLUIPSA-N 0 3 486.661 2.850 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3C)nnc2N2C[C@H](COC)O[C@@H](C)C2)CC1 ZINC001296124878 1064217922 /nfs/dbraw/zinc/21/79/22/1064217922.db2.gz KFENFFLPIPZVHN-BHIFYINESA-N 0 3 456.635 2.520 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@@H](OCCOC)C2)CC1 ZINC001296125561 1064219101 /nfs/dbraw/zinc/21/91/01/1064219101.db2.gz MSTKVHZNGKERFY-SIKLNZKXSA-N 0 3 477.053 2.866 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@@H](OCCOC)C2)CC1 ZINC001296125559 1064219177 /nfs/dbraw/zinc/21/91/77/1064219177.db2.gz MSTKVHZNGKERFY-DENIHFKCSA-N 0 3 477.053 2.866 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001296126454 1064220566 /nfs/dbraw/zinc/22/05/66/1064220566.db2.gz QHRWTYSHVMHQPH-MOPGFXCFSA-N 0 3 467.618 2.536 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC001296126886 1064221360 /nfs/dbraw/zinc/22/13/60/1064221360.db2.gz SNQWNFIOTOKFKP-IBGZPJMESA-N 0 3 479.629 2.869 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296127358 1064221618 /nfs/dbraw/zinc/22/16/18/1064221618.db2.gz UXZYBVLBDKKSBI-CCLHPLFOSA-N 0 3 481.689 2.970 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCC(CCCO)CC2)CC1 ZINC001296128354 1064222499 /nfs/dbraw/zinc/22/24/99/1064222499.db2.gz YNXUQEPTJFJIAF-OAQYLSRUSA-N 0 3 470.662 2.969 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCC(CCCO)CC2)CC1 ZINC001296128353 1064222522 /nfs/dbraw/zinc/22/25/22/1064222522.db2.gz YNXUQEPTJFJIAF-NRFANRHFSA-N 0 3 470.662 2.969 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC(C)C)CC1 ZINC001296131434 1064225967 /nfs/dbraw/zinc/22/59/67/1064225967.db2.gz KQLOVDNSUQPFKG-NHCUHLMSSA-N 0 3 493.697 2.705 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C3=NCC(C)(C)S3)CC2)CC1 ZINC001296131766 1064226896 /nfs/dbraw/zinc/22/68/96/1064226896.db2.gz MXRLCEHNIIYVJJ-HXUWFJFHSA-N 0 3 490.766 2.896 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296131767 1064227009 /nfs/dbraw/zinc/22/70/09/1064227009.db2.gz MYXJNUWHZLZCOE-IBGZPJMESA-N 0 3 473.632 2.967 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296131837 1064227448 /nfs/dbraw/zinc/22/74/48/1064227448.db2.gz OGOCCRXPUSUIBW-DXIQSLLYSA-N 0 3 461.054 2.755 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296132249 1064229477 /nfs/dbraw/zinc/22/94/77/1064229477.db2.gz ABJUMGUQSPGXAW-PQNGQFLHSA-N 0 3 486.661 2.753 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(N3CCN(C(=O)C4CCCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001296132594 1064230838 /nfs/dbraw/zinc/23/08/38/1064230838.db2.gz BVDZRVQYTWUYHV-OAQYLSRUSA-N 0 3 473.710 2.831 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001296132875 1064232120 /nfs/dbraw/zinc/23/21/20/1064232120.db2.gz XDFYJIYBJAKCGP-QYZOEREBSA-N 0 3 462.589 2.787 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(N3CC[C@@](O)(c4cccc(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001296133185 1064232676 /nfs/dbraw/zinc/23/26/76/1064232676.db2.gz GMKVHNFFSKUSHE-CLOONOSVSA-N 0 3 458.626 2.839 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC(C)(OC)C2)CC1 ZINC001296133211 1064233178 /nfs/dbraw/zinc/23/31/78/1064233178.db2.gz GZPAFSWLVZTYFG-PMACEKPBSA-N 0 3 491.681 2.601 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001296133931 1064234953 /nfs/dbraw/zinc/23/49/53/1064234953.db2.gz LKDCYHHTYKGXIK-FQEVSTJZSA-N 0 3 457.667 2.609 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@@H]2CCOC2)CC1 ZINC001296133882 1064234995 /nfs/dbraw/zinc/23/49/95/1064234995.db2.gz LFUIVPHROTZRNH-PKTZIBPZSA-N 0 3 470.662 2.973 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CCCc2ccccn2)CC1 ZINC001296134299 1064235248 /nfs/dbraw/zinc/23/52/48/1064235248.db2.gz XYUCCZYGMOHPHP-FCHUYYIVSA-N 0 3 455.651 2.662 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001296134377 1064235868 /nfs/dbraw/zinc/23/58/68/1064235868.db2.gz OJZLZSOAXGWMAM-MOPGFXCFSA-N 0 3 491.731 2.627 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001296134379 1064235926 /nfs/dbraw/zinc/23/59/26/1064235926.db2.gz OJZLZSOAXGWMAM-RBUKOAKNSA-N 0 3 491.731 2.627 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001296134692 1064236185 /nfs/dbraw/zinc/23/61/85/1064236185.db2.gz PIXMCJUHMCSDIL-HXUWFJFHSA-N 0 3 454.623 2.704 20 0 JFADHN CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001296134669 1064236200 /nfs/dbraw/zinc/23/62/00/1064236200.db2.gz ZMTRTGVPNBPYOX-LAUBAEHRSA-N 0 3 475.588 2.560 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3noc4c3COCC4)nnc2N(CC(C)C)C(C)C)CC1 ZINC001296134561 1064236242 /nfs/dbraw/zinc/23/62/42/1064236242.db2.gz YNFWLSOAOWDVAD-IBGZPJMESA-N 0 3 459.639 2.903 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001296134783 1064236564 /nfs/dbraw/zinc/23/65/64/1064236564.db2.gz QIUPWIZVEXXFRY-FGZHOGPDSA-N 0 3 456.635 2.807 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001296134833 1064237048 /nfs/dbraw/zinc/23/70/48/1064237048.db2.gz RATWMNQJDPXHJE-OAQYLSRUSA-N 0 3 473.710 2.732 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(N3CCC(C(=O)N(C)C(C)C)CC3)nnc2C(C)(C)C)CC1 ZINC001296135184 1064238350 /nfs/dbraw/zinc/23/83/50/1064238350.db2.gz XBMHIBSSGADHMZ-FQEVSTJZSA-N 0 3 461.699 2.685 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(N3CCC[C@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296135134 1064238514 /nfs/dbraw/zinc/23/85/14/1064238514.db2.gz WMBLJYMYDCCQCH-RXVVDRJESA-N 0 3 457.671 2.651 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(N(C)Cc3ccco3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296135220 1064238791 /nfs/dbraw/zinc/23/87/91/1064238791.db2.gz XKCYAJFOAPBAEE-RDPSFJRHSA-N 0 3 460.623 2.574 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)c2cc(OC)cc(OC)c2)CC1 ZINC001296135462 1064239615 /nfs/dbraw/zinc/23/96/15/1064239615.db2.gz YUWXXSFGKFAOIC-NRFANRHFSA-N 0 3 496.660 2.951 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001296135479 1064239632 /nfs/dbraw/zinc/23/96/32/1064239632.db2.gz ZCNHNMFPBAIVRV-OAQYLSRUSA-N 0 3 485.677 2.542 20 0 JFADHN CC[C@H](C)N(C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001291766692 1064248497 /nfs/dbraw/zinc/24/84/97/1064248497.db2.gz FKKFSJHQPUTEKV-PKOBYXMFSA-N 0 3 477.631 2.808 20 0 JFADHN CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCn2ccnc2C)C[C@@H]1C ZINC001296145162 1064255492 /nfs/dbraw/zinc/25/54/92/1064255492.db2.gz XEMDRRDJEPBSHQ-KRWDZBQOSA-N 0 3 469.590 2.706 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001291772827 1064256369 /nfs/dbraw/zinc/25/63/69/1064256369.db2.gz CPSVCJITDIZBCS-ROUUACIJSA-N 0 3 496.628 2.515 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC001291772999 1064257424 /nfs/dbraw/zinc/25/74/24/1064257424.db2.gz DFPXTBPPPRBUCV-RBBKRZOGSA-N 0 3 480.723 2.613 20 0 JFADHN CCN1CCN(c2nnc(-c3ccccc3Br)n2CCN2CCOC[C@H]2C)C[C@H]1C ZINC001296154357 1064264301 /nfs/dbraw/zinc/26/43/01/1064264301.db2.gz LRERJYNECUQUTI-QZTJIDSGSA-N 0 3 477.451 2.959 20 0 JFADHN CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001291778410 1064266404 /nfs/dbraw/zinc/26/64/04/1064266404.db2.gz JHOWJNGERPAOKN-HXUWFJFHSA-N 0 3 477.613 2.662 20 0 JFADHN CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001291778410 1064266414 /nfs/dbraw/zinc/26/64/14/1064266414.db2.gz JHOWJNGERPAOKN-HXUWFJFHSA-N 0 3 477.613 2.662 20 0 JFADHN CC[C@@H](C)N(C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001291782288 1064270481 /nfs/dbraw/zinc/27/04/81/1064270481.db2.gz CKIPCUPATMQJRM-APWZRJJASA-N 0 3 470.039 2.864 20 0 JFADHN CC[C@@H](C)N(C)CCn1c(COc2ccc(C)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291783943 1064278408 /nfs/dbraw/zinc/27/84/08/1064278408.db2.gz PPFSYVCRABMTSN-LJQANCHMSA-N 0 3 463.648 2.909 20 0 JFADHN 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CC[C@H](c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@](C)(O)CC)c1ccccc1 ZINC001291887908 1064509724 /nfs/dbraw/zinc/50/97/24/1064509724.db2.gz KSEFYSGCIAYKKC-BKMJKUGQSA-N 0 3 468.646 2.725 20 0 JFADHN CC[C@@H](c1nnc(N2CCN(C(C)(C)C)CC2)n1CCS(=O)(=O)N(C)C)c1ccccc1 ZINC001291888640 1064512496 /nfs/dbraw/zinc/51/24/96/1064512496.db2.gz WAOXHSBVPUDRIJ-HXUWFJFHSA-N 0 3 462.664 2.632 20 0 JFADHN CC[C@@H](c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@](C)(O)CC)c1ccccc1 ZINC001291889143 1064513629 /nfs/dbraw/zinc/51/36/29/1064513629.db2.gz RNCJWXFTAHKRRG-TVZXLZGTSA-N 0 3 468.646 2.724 20 0 JFADHN CC[C@@H](c1nnc(N2CCN(C3CCOCC3)CC2)n1CC(=O)NC(C)C)c1ccccc1 ZINC001291891140 1064516659 /nfs/dbraw/zinc/51/66/59/1064516659.db2.gz DCYPTCMXRKYWHN-JOCHJYFZSA-N 0 3 454.619 2.646 20 0 JFADHN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001291930841 1064548336 /nfs/dbraw/zinc/54/83/36/1064548336.db2.gz DQINTZZZYSDXLE-WWNPGLIZSA-N 0 3 490.693 2.756 20 0 JFADHN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)OC ZINC001291934854 1064554018 /nfs/dbraw/zinc/55/40/18/1064554018.db2.gz YSCHNGQTIPIYEO-FQEVSTJZSA-N 0 3 489.690 2.582 20 0 JFADHN CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccsc2)N(CC)CC)CC1 ZINC001296284282 1064556319 /nfs/dbraw/zinc/55/63/19/1064556319.db2.gz WCLYGEPIVXUYEE-HXUWFJFHSA-N 0 3 475.707 2.978 20 0 JFADHN CCN(C(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001291945578 1064560403 /nfs/dbraw/zinc/56/04/03/1064560403.db2.gz MIPQXQPCXAXSDN-IPJJNNNSSA-N 0 3 459.612 2.643 20 0 JFADHN C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)cc1 ZINC001291948699 1064560836 /nfs/dbraw/zinc/56/08/36/1064560836.db2.gz JURZPYYJYOKZNZ-XXBNENTESA-N 0 3 459.612 2.549 20 0 JFADHN CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N(C)C ZINC001291963818 1064577564 /nfs/dbraw/zinc/57/75/64/1064577564.db2.gz STMKMOKSSMFQMZ-AZUAARDMSA-N 0 3 450.653 2.663 20 0 JFADHN CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N(C)C ZINC001291963825 1064577644 /nfs/dbraw/zinc/57/76/44/1064577644.db2.gz STMKMOKSSMFQMZ-QUCCMNQESA-N 0 3 450.653 2.663 20 0 JFADHN CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cnn(C)c1)N(C)C ZINC001291968820 1064584862 /nfs/dbraw/zinc/58/48/62/1064584862.db2.gz RWTMXENLSNTMDL-JBACZVJFSA-N 0 3 477.679 2.622 20 0 JFADHN CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)S[C@@H](C)C1)N(C)C ZINC001291969713 1064586005 /nfs/dbraw/zinc/58/60/05/1064586005.db2.gz YBCZAIKMFSJZTL-NBMJBFSESA-N 0 3 457.710 2.877 20 0 JFADHN CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001291973328 1064587992 /nfs/dbraw/zinc/58/79/92/1064587992.db2.gz GLSKCGDUMGAGQC-MOPGFXCFSA-N 0 3 453.678 2.920 20 0 JFADHN CCC(CC)[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001291975069 1064589676 /nfs/dbraw/zinc/58/96/76/1064589676.db2.gz QHBSJSHGIVSHMC-RTWAWAEBSA-N 0 3 487.674 2.506 20 0 JFADHN CCNC(=O)N1CCN(c2nnc(C3CCC3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 ZINC001296310960 1064591259 /nfs/dbraw/zinc/59/12/59/1064591259.db2.gz OWHNROOAIDQHEW-OAQYLSRUSA-N 0 3 455.607 2.709 20 0 JFADHN CCC(CC)c1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCC3)CC2)on1 ZINC001291979330 1064594345 /nfs/dbraw/zinc/59/43/45/1064594345.db2.gz ZRRBQJKRLJIEPP-QGZVFWFLSA-N 0 3 493.678 2.893 20 0 JFADHN Cc1cc(=O)c(C(=O)NCCCN2CCCO[C@H](C)C2)nn1-c1ccccc1C(F)(F)F ZINC001296323245 1064605868 /nfs/dbraw/zinc/60/58/68/1064605868.db2.gz NYTJDFYNJNOYNW-MRXNPFEDSA-N 0 3 452.477 2.790 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1C[C@H](c1ccccc1)N(C)C ZINC001292018728 1064654857 /nfs/dbraw/zinc/65/48/57/1064654857.db2.gz YIXOGHBBFFMDDC-TUACAJSNSA-N 0 3 497.688 2.656 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CCNC(=O)c1ccccc1F ZINC001292020473 1064659450 /nfs/dbraw/zinc/65/94/50/1064659450.db2.gz HQSKIWUHQLYHIC-ROUUACIJSA-N 0 3 487.624 2.685 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1C[C@@]1(N(C)C)CCSC1 ZINC001292053899 1064719124 /nfs/dbraw/zinc/71/91/24/1064719124.db2.gz UMYUDWBJBBNKMB-CYFREDJKSA-N 0 3 478.707 2.887 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1Cc1ccc(F)cc1 ZINC001292063466 1064737094 /nfs/dbraw/zinc/73/70/94/1064737094.db2.gz UJIHGATZIKWSJX-HSZRJFAPSA-N 0 3 485.652 2.989 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@H]1CC1(C)C ZINC001292063671 1064737788 /nfs/dbraw/zinc/73/77/88/1064737788.db2.gz XKIBCBYLUYIWIQ-CTNGQTDRSA-N 0 3 459.683 2.847 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H]1CCCN1CC ZINC001292067712 1064747302 /nfs/dbraw/zinc/74/73/02/1064747302.db2.gz XYIBOLNMDITALB-MRXNPFEDSA-N 0 3 460.545 2.574 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001292077141 1064759056 /nfs/dbraw/zinc/75/90/56/1064759056.db2.gz WPVDIUIZWAHQSI-QFQXNSOFSA-N 0 3 481.645 2.524 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1CCN1CCC[C@@H]1C ZINC001292094957 1064786056 /nfs/dbraw/zinc/78/60/56/1064786056.db2.gz RNDRPJHKISZUJJ-FUHWJXTLSA-N 0 3 458.611 2.756 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@@H]1CCCCN1CC ZINC001292109205 1064806909 /nfs/dbraw/zinc/80/69/09/1064806909.db2.gz GESBKPPTSXHQBK-GGAORHGYSA-N 0 3 489.709 2.620 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1C[C@H]1CCCN1CC ZINC001292110868 1064817648 /nfs/dbraw/zinc/81/76/48/1064817648.db2.gz OCVGFBJHNKSRBE-JOCHJYFZSA-N 0 3 499.635 2.782 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C)CC2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001292121662 1064852370 /nfs/dbraw/zinc/85/23/70/1064852370.db2.gz DREGYXZHTCOGKE-HXUWFJFHSA-N 0 3 497.692 2.742 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1Cc1nnc(C)s1 ZINC001292125117 1064867829 /nfs/dbraw/zinc/86/78/29/1064867829.db2.gz HYLDGVLMLJGCKX-UHFFFAOYSA-N 0 3 460.652 2.859 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CC(C)(C)SC ZINC001292125377 1064869382 /nfs/dbraw/zinc/86/93/82/1064869382.db2.gz CENVXEHFHASDJR-UHFFFAOYSA-N 0 3 466.696 2.887 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1cccs1 ZINC001292126391 1064875071 /nfs/dbraw/zinc/87/50/71/1064875071.db2.gz OHCDIUSPNBYDFP-QGZVFWFLSA-N 0 3 460.648 2.996 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCC1(O)CCOCC1 ZINC001292126631 1064876375 /nfs/dbraw/zinc/87/63/75/1064876375.db2.gz MVDXSBKHVAASJE-UHFFFAOYSA-N 0 3 478.682 2.686 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001292126874 1064878089 /nfs/dbraw/zinc/87/80/89/1064878089.db2.gz QWNGTXXSKBHOFK-JTHBVZDNSA-N 0 3 490.693 2.806 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@H](C)SC ZINC001292127143 1064880537 /nfs/dbraw/zinc/88/05/37/1064880537.db2.gz XULVLHVXDHTEGY-SJORKVTESA-N 0 3 452.669 2.638 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001292145273 1064919098 /nfs/dbraw/zinc/91/90/98/1064919098.db2.gz SZDFLSSHMZBEIN-FCEUIQTBSA-N 0 3 476.666 2.701 20 0 JFADHN CCC(CC)NC(=O)c1nnc(Nc2ccn(C)n2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001292160948 1064944851 /nfs/dbraw/zinc/94/48/51/1064944851.db2.gz WSXQELOEYWBLKB-OAQYLSRUSA-N 0 3 480.617 2.965 20 0 JFADHN CCC(CC)NC(=O)c1nnc(Nc2ccn(C)n2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001292160947 1064944888 /nfs/dbraw/zinc/94/48/88/1064944888.db2.gz WSXQELOEYWBLKB-NRFANRHFSA-N 0 3 480.617 2.965 20 0 JFADHN CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1)Oc1ccccc1F ZINC001292162959 1064948694 /nfs/dbraw/zinc/94/86/94/1064948694.db2.gz LQOOUBHVYCXSAM-VQTJNVASSA-N 0 3 488.608 2.572 20 0 JFADHN CC[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001292178672 1064969056 /nfs/dbraw/zinc/96/90/56/1064969056.db2.gz GHLAMOSITKWPDF-DENIHFKCSA-N 0 3 491.658 2.850 20 0 JFADHN CC[C@@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001292178674 1064969154 /nfs/dbraw/zinc/96/91/54/1064969154.db2.gz GHLAMOSITKWPDF-SIKLNZKXSA-N 0 3 491.658 2.850 20 0 JFADHN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@H]2CCOC2)CC1)OC ZINC001292181243 1064971816 /nfs/dbraw/zinc/97/18/16/1064971816.db2.gz SEXNDNTXMBFDTN-WBVHZDCISA-N 0 3 467.412 2.619 20 0 JFADHN CC[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001292186920 1064978780 /nfs/dbraw/zinc/97/87/80/1064978780.db2.gz UDJCBYJQPSAWDC-PZJWPPBQSA-N 0 3 461.632 2.842 20 0 JFADHN CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1)c1ccccc1 ZINC001292226985 1065014799 /nfs/dbraw/zinc/01/47/99/1065014799.db2.gz VAJQJHSNYDJFCI-GMAHTHKFSA-N 0 3 468.646 2.966 20 0 JFADHN CCC(O)(CC)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(C)C)CC1 ZINC001292280719 1065055564 /nfs/dbraw/zinc/05/55/64/1065055564.db2.gz XFHUFFPFNQCJBK-UHFFFAOYSA-N 0 3 477.679 2.567 20 0 JFADHN O=C(C[C@@H](n1ccnc1)C(F)(F)F)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001292309958 1065078216 /nfs/dbraw/zinc/07/82/16/1065078216.db2.gz ZYBMQLQMMZWREP-RBUKOAKNSA-N 0 3 450.509 2.832 20 0 JFADHN CCC1(Cn2c([C@H](C)OCCOC)nnc2N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)CC1 ZINC001292413980 1065148470 /nfs/dbraw/zinc/14/84/70/1065148470.db2.gz PNRGOSQXHNTZEJ-ONTIZHBOSA-N 0 3 476.666 2.571 20 0 JFADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001292439295 1065166896 /nfs/dbraw/zinc/16/68/96/1065166896.db2.gz DHIQGMPTHMTBLX-UHFFFAOYSA-N 0 3 456.374 2.979 20 0 JFADHN CCOC(=O)c1cnn(-c2ccc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)cc2)c1C ZINC001292440492 1065167408 /nfs/dbraw/zinc/16/74/08/1065167408.db2.gz VVAPDVHTNAZLKQ-UHFFFAOYSA-N 0 3 458.559 2.703 20 0 JFADHN CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3noc(C)n3)C2)N(C)C)cc1 ZINC001292457710 1065179532 /nfs/dbraw/zinc/17/95/32/1065179532.db2.gz LIDNAGWRRDLYDX-LEWJYISDSA-N 0 3 496.616 2.551 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H]2CCCOC2)N(C)C)cc1 ZINC001292458324 1065180895 /nfs/dbraw/zinc/18/08/95/1065180895.db2.gz ORTVHVCQHKEMCU-FCEUIQTBSA-N 0 3 454.619 2.957 20 0 JFADHN CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(cc[nH]c3=O)C2)N(C)C)cc1 ZINC001292458307 1065180940 /nfs/dbraw/zinc/18/09/40/1065180940.db2.gz OOCYJXSOPGCPMK-JOCHJYFZSA-N 0 3 477.613 2.945 20 0 JFADHN CCc1ccc([C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(CC)Cc2cnn(C)c2)N(C)C)cc1 ZINC001292458449 1065182245 /nfs/dbraw/zinc/18/22/45/1065182245.db2.gz OYSVKEHNWMLQAQ-FCHUYYIVSA-N 0 3 464.618 2.855 20 0 JFADHN CCc1ccc([C@@H](Cn2c(C3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)N(C)C)cc1 ZINC001292458695 1065182964 /nfs/dbraw/zinc/18/29/64/1065182964.db2.gz AOWFXKAPQWYHNS-JOCHJYFZSA-N 0 3 474.675 2.883 20 0 JFADHN CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCOC3(CCOCC3)C2)N(C)C)cc1 ZINC001292459435 1065184797 /nfs/dbraw/zinc/18/47/97/1065184797.db2.gz VAXFGFGEJWMIAJ-QFIPXVFZSA-N 0 3 484.645 2.667 20 0 JFADHN CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(=O)NC3CC3)C2)N(C)C)cc1 ZINC001292460431 1065187807 /nfs/dbraw/zinc/18/78/07/1065187807.db2.gz XDSSFYIVFJRJSF-JTHBVZDNSA-N 0 3 495.672 2.777 20 0 JFADHN CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C(=O)NC3CC3)C2)N(C)C)cc1 ZINC001292460428 1065187849 /nfs/dbraw/zinc/18/78/49/1065187849.db2.gz XDSSFYIVFJRJSF-FYYLOGMGSA-N 0 3 495.672 2.777 20 0 JFADHN CCc1ccc([C@H](Cn2c(CC(C)C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)N(C)C)cc1 ZINC001292461018 1065189678 /nfs/dbraw/zinc/18/96/78/1065189678.db2.gz KYWUVFUYPHTCDP-DEOSSOPVSA-N 0 3 497.688 2.916 20 0 JFADHN CCc1ccc([C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@H](C(N)=O)C2)N(C)C)cc1 ZINC001292461529 1065190976 /nfs/dbraw/zinc/19/09/76/1065190976.db2.gz OOLDGPMBFLVCIW-XZOQPEGZSA-N 0 3 461.614 2.831 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](C)(C(=O)NC)C2)N(C)C)cc1 ZINC001292462117 1065191051 /nfs/dbraw/zinc/19/10/51/1065191051.db2.gz QZNNYCMQYYPMQP-FAWUNYRSSA-N 0 3 498.672 2.830 20 0 JFADHN CCc1ccc([C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](C)(C(=O)NC)C2)N(C)C)cc1 ZINC001292462119 1065191061 /nfs/dbraw/zinc/19/10/61/1065191061.db2.gz QZNNYCMQYYPMQP-GIRPNKPCSA-N 0 3 498.672 2.830 20 0 JFADHN CCc1ccc([C@@H](Cn2c([C@H]3CCOC3)nnc2N2CCC(CC(=O)NC)CC2)N(C)C)cc1 ZINC001292462393 1065191482 /nfs/dbraw/zinc/19/14/82/1065191482.db2.gz RXSVMNUYORSNRY-XZOQPEGZSA-N 0 3 468.646 3.000 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(CC(=O)N[C@@H](C)CC)CC3)n2CCN2CCSCC2)cc1 ZINC001292518726 1065243532 /nfs/dbraw/zinc/24/35/32/1065243532.db2.gz WUVNHJKGZZWMCM-NRFANRHFSA-N 0 3 499.729 2.593 20 0 JFADHN CCc1nnc(N2CCO[C@@H](c3ccc(CC)cc3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001292542992 1065264876 /nfs/dbraw/zinc/26/48/76/1065264876.db2.gz ZNQDIGKAZDVBEZ-XZOQPEGZSA-N 0 3 468.646 2.924 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CCOC(C)(C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001292615047 1065346954 /nfs/dbraw/zinc/34/69/54/1065346954.db2.gz QRMPPRAVNCZTBH-JOCHJYFZSA-N 0 3 498.672 2.977 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001292619888 1065356603 /nfs/dbraw/zinc/35/66/03/1065356603.db2.gz RANWDDAPWNIKEC-PUHATCMVSA-N 0 3 498.672 2.569 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CCS(=O)(=O)CC2)n1C[C@H]1CCCN(C(C)C)C1 ZINC001292620236 1065357361 /nfs/dbraw/zinc/35/73/61/1065357361.db2.gz ZYBGWZWKERMSPS-FQEVSTJZSA-N 0 3 475.659 2.775 20 0 JFADHN CN(C)CCN1C[C@H](C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC001292636180 1065374030 /nfs/dbraw/zinc/37/40/30/1065374030.db2.gz RABCDIPTOSEPCI-KDOFPFPSSA-N 0 3 455.386 2.723 20 0 JFADHN CCc1nc(C)c(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)o1 ZINC001292678060 1065417033 /nfs/dbraw/zinc/41/70/33/1065417033.db2.gz CBHMWGUYGTUHFO-HZPDHXFCSA-N 0 3 452.563 2.751 20 0 JFADHN CCc1nc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCC2)cs1 ZINC001292728003 1065488244 /nfs/dbraw/zinc/48/82/44/1065488244.db2.gz CUSCEPDEXYIIJK-INIZCTEOSA-N 0 3 466.677 2.710 20 0 JFADHN CCc1nc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCC2)cs1 ZINC001292728004 1065488936 /nfs/dbraw/zinc/48/89/36/1065488936.db2.gz CUSCEPDEXYIIJK-MRXNPFEDSA-N 0 3 466.677 2.710 20 0 JFADHN CCc1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001292813642 1065563666 /nfs/dbraw/zinc/56/36/66/1065563666.db2.gz MWIDNTHDBYUMQN-JOCHJYFZSA-N 0 3 481.689 2.855 20 0 JFADHN CC(C)(C)OC(=O)NC1(CC(=O)N2CCNC(=O)C2(C)C)CCN(Cc2ccccc2)CC1 ZINC001292831967 1065569811 /nfs/dbraw/zinc/56/98/11/1065569811.db2.gz ZINKVECQIDNFBZ-UHFFFAOYSA-N 0 3 458.603 2.673 20 0 JFADHN CCc1nnc(N(CCO)Cc2ccc(Br)s2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001292888136 1065585444 /nfs/dbraw/zinc/58/54/44/1065585444.db2.gz FPUSKQSEHWQRLA-MRXNPFEDSA-N 0 3 485.496 2.689 20 0 JFADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC[C@@](C)(O)c1ccccc1 ZINC001292892226 1065589244 /nfs/dbraw/zinc/58/92/44/1065589244.db2.gz AYZUGLYUNCJEFX-VAPDBKPJSA-N 0 3 468.646 2.517 20 0 JFADHN CCc1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001292914975 1065604472 /nfs/dbraw/zinc/60/44/72/1065604472.db2.gz AUKNDPXTVUWTTC-JOCHJYFZSA-N 0 3 452.603 2.783 20 0 JFADHN CCc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001292922621 1065609368 /nfs/dbraw/zinc/60/93/68/1065609368.db2.gz FGIANYOTVDNROJ-RDJZCZTQSA-N 0 3 456.488 2.787 20 0 JFADHN CCc1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001292924805 1065617524 /nfs/dbraw/zinc/61/75/24/1065617524.db2.gz QXSNNFNRZHLZIS-NRFANRHFSA-N 0 3 499.679 2.786 20 0 JFADHN CCc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001292934150 1065624021 /nfs/dbraw/zinc/62/40/21/1065624021.db2.gz LFLBHCAZVXXWMH-HSZRJFAPSA-N 0 3 458.626 2.956 20 0 JFADHN CCN1CCN([C@H](C)CNC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC001292986387 1065671018 /nfs/dbraw/zinc/67/10/18/1065671018.db2.gz KQGAEABUBJOYPE-AUSIDOKSSA-N 0 3 453.587 2.721 20 0 JFADHN CCc1nnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001292986600 1065671761 /nfs/dbraw/zinc/67/17/61/1065671761.db2.gz FAHIHIJFZRYIGW-SQJMNOBHSA-N 0 3 489.064 2.621 20 0 JFADHN COC(=O)C1CCN(CCCNC(=O)[C@H](C)c2ccc(I)cc2)CC1 ZINC001292987254 1065673214 /nfs/dbraw/zinc/67/32/14/1065673214.db2.gz VMHZWGVDCWZBAR-CQSZACIVSA-N 0 3 458.340 2.786 20 0 JFADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1ccc(OC)cc1C(F)(F)F ZINC001293085479 1065735171 /nfs/dbraw/zinc/73/51/71/1065735171.db2.gz DTWXJSCYBFAGAH-UHFFFAOYSA-N 0 3 480.535 2.661 20 0 JFADHN CCc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001293120187 1065768869 /nfs/dbraw/zinc/76/88/69/1065768869.db2.gz DPPNFRPITIFGFC-HSZRJFAPSA-N 0 3 467.662 2.714 20 0 JFADHN CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCN(CC)CC1 ZINC001293250078 1065915339 /nfs/dbraw/zinc/91/53/39/1065915339.db2.gz FTGHBTREXHLSGL-WOJBJXKFSA-N 0 3 454.623 2.578 20 0 JFADHN CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001293298737 1065939791 /nfs/dbraw/zinc/93/97/91/1065939791.db2.gz QWPRIAVXHRXMQR-GMLUQMLDSA-N 0 3 478.663 2.825 20 0 JFADHN O=C(COc1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC001293362921 1065966696 /nfs/dbraw/zinc/96/66/96/1065966696.db2.gz PQFVIOHBZLLFBH-IBGZPJMESA-N 0 3 450.377 2.516 20 0 JFADHN CC[C@H]1CCCCN1CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCCS(C)(=O)=O ZINC001293365112 1065969769 /nfs/dbraw/zinc/96/97/69/1065969769.db2.gz JVGOVYZPXOAGFE-FQEVSTJZSA-N 0 3 491.658 2.852 20 0 JFADHN CC[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCN(CC)CC2)C1 ZINC001293388046 1065989052 /nfs/dbraw/zinc/98/90/52/1065989052.db2.gz XXVJAXXICWTYNL-RDGATRHJSA-N 0 3 462.683 2.973 20 0 JFADHN CC[C@@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001293432595 1066004855 /nfs/dbraw/zinc/00/48/55/1066004855.db2.gz WOIQHISTLUGSBU-VSKRKVRLSA-N 0 3 490.674 2.601 20 0 JFADHN CC[C@@H]1CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001293432593 1066004884 /nfs/dbraw/zinc/00/48/84/1066004884.db2.gz WOIQHISTLUGSBU-BHIFYINESA-N 0 3 490.674 2.601 20 0 JFADHN CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCN(CC)CC2)CC1 ZINC001293451224 1066011004 /nfs/dbraw/zinc/01/10/04/1066011004.db2.gz WKYMFXIIPCSUHI-UHFFFAOYSA-N 0 3 454.623 2.579 20 0 JFADHN CC(C)N1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)C1 ZINC001293491042 1066025195 /nfs/dbraw/zinc/02/51/95/1066025195.db2.gz IBPURGQOKTZVAZ-MRXNPFEDSA-N 0 3 457.604 2.784 20 0 JFADHN CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)CN2CCN(CC)CC2)CCS1 ZINC001293508844 1066033243 /nfs/dbraw/zinc/03/32/43/1066033243.db2.gz FTBMBZGQJSBAIJ-UXHICEINSA-N 0 3 486.690 2.531 20 0 JFADHN CC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCN2CCN(CC)CC2)CCO1 ZINC001293511507 1066037713 /nfs/dbraw/zinc/03/77/13/1066037713.db2.gz WRSJLMVENCOANL-HSZRJFAPSA-N 0 3 483.661 2.790 20 0 JFADHN CC[C@@H]1CN(c2nnc([C@@H](C)OCCOC)n2CC2(N3CCSCC3)CCCC2)CCO1 ZINC001293525855 1066047099 /nfs/dbraw/zinc/04/70/99/1066047099.db2.gz QVZHTYMDIYQZHL-WOJBJXKFSA-N 0 3 467.680 2.979 20 0 JFADHN CC[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCN(CC)CC2)CCS1 ZINC001293530413 1066049899 /nfs/dbraw/zinc/04/98/99/1066049899.db2.gz FGKGXTXXWZBGNB-ZJSXRUAMSA-N 0 3 480.723 2.678 20 0 JFADHN CC[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCN(C)C(C)(C)C2)CCS1 ZINC001293531125 1066050940 /nfs/dbraw/zinc/05/09/40/1066050940.db2.gz KQSQIUXPXWCHOR-GBXCKJPGSA-N 0 3 480.723 2.677 20 0 JFADHN CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCOCC2(C)C)CCN1CCOC ZINC001293556357 1066070744 /nfs/dbraw/zinc/07/07/44/1066070744.db2.gz HYPOEPQHRZTHLP-JOCHJYFZSA-N 0 3 486.661 2.612 20 0 JFADHN CN(C(=O)OC(C)(C)C)C1CC(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC001293558238 1066071829 /nfs/dbraw/zinc/07/18/29/1066071829.db2.gz IIHQLTOZPNOPDO-UHFFFAOYSA-N 0 3 458.603 2.774 20 0 JFADHN CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC001293558449 1066072041 /nfs/dbraw/zinc/07/20/41/1066072041.db2.gz MSVJSYWXEPOWCX-RUZDIDTESA-N 0 3 458.603 2.776 20 0 JFADHN CC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCCN2CCOCC2)CCN1CCOC ZINC001293565342 1066077230 /nfs/dbraw/zinc/07/72/30/1066077230.db2.gz LLWNWUAWVIZXGA-FQEVSTJZSA-N 0 3 477.053 2.868 20 0 JFADHN CC[C@@H]1CN(c2nnc(CC(C)C)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@H]1N1CCOCC1 ZINC001293606053 1066121885 /nfs/dbraw/zinc/12/18/85/1066121885.db2.gz FHJOQJUBXHFEFO-MYDTUXCISA-N 0 3 462.683 2.523 20 0 JFADHN CC[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H](C)CN2CCN(CC)CC2)CCO1 ZINC001293643796 1066159179 /nfs/dbraw/zinc/15/91/79/1066159179.db2.gz HIBWPWGERZNEPI-SFTDATJTSA-N 0 3 474.625 2.885 20 0 JFADHN CC/C=C\Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001293667772 1066170195 /nfs/dbraw/zinc/17/01/95/1066170195.db2.gz QSSXXUJDKPEMCH-OOFWQKGWSA-N 0 3 490.450 2.755 20 0 JFADHN CC/C=C/Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001293683464 1066174015 /nfs/dbraw/zinc/17/40/15/1066174015.db2.gz QIDATRZUYROAPC-IRUYWQDXSA-N 0 3 468.602 2.671 20 0 JFADHN CCCC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCc3ccccc3C2)C1 ZINC001293735491 1066193334 /nfs/dbraw/zinc/19/33/34/1066193334.db2.gz FFWSDSJJBHCGBC-QHCPKHFHSA-N 0 3 495.672 2.750 20 0 JFADHN CCCC(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 ZINC001293760983 1066244467 /nfs/dbraw/zinc/24/44/67/1066244467.db2.gz FCDHRDTUCPMLEC-FQEVSTJZSA-N 0 3 496.660 2.931 20 0 JFADHN O=C(c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)N(CCN1CCCC1)c1ccccc1 ZINC001293771570 1066260866 /nfs/dbraw/zinc/26/08/66/1066260866.db2.gz WHYPOVQKNAAWKG-QFIPXVFZSA-N 0 3 457.596 2.887 20 0 JFADHN CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001293817569 1066324853 /nfs/dbraw/zinc/32/48/53/1066324853.db2.gz ISCIPWINULAEFB-OFVILXPXSA-N 0 3 455.651 2.804 20 0 JFADHN CCC[C@@](C)(O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001293821880 1066329823 /nfs/dbraw/zinc/32/98/23/1066329823.db2.gz SINUFGZXWQNSFD-HHHXNRCGSA-N 0 3 495.672 2.978 20 0 JFADHN CCC[C@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001293835088 1066339725 /nfs/dbraw/zinc/33/97/25/1066339725.db2.gz KXAOJVILEAJDPY-AMGIVPHBSA-N 0 3 498.672 2.768 20 0 JFADHN CCC[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N(C)C ZINC001293920385 1066400659 /nfs/dbraw/zinc/40/06/59/1066400659.db2.gz AOUQJAGAIZVDPW-OKZBNKHCSA-N 0 3 484.692 2.600 20 0 JFADHN CCC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)OC ZINC001293981438 1066484470 /nfs/dbraw/zinc/48/44/70/1066484470.db2.gz HGHPMRYIZGOJBZ-GOTSBHOMSA-N 0 3 455.651 2.684 20 0 JFADHN CCC[C@@H]1CN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(N(C)C)CCSC2)CCO1 ZINC001294054439 1066526258 /nfs/dbraw/zinc/52/62/58/1066526258.db2.gz GVUNJLNBMMDNHI-GCJKJVERSA-N 0 3 452.669 2.639 20 0 JFADHN CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)CCN1CCOC ZINC001294058527 1066530810 /nfs/dbraw/zinc/53/08/10/1066530810.db2.gz RGFSVZZVVLWGHR-MOPGFXCFSA-N 0 3 476.588 2.602 20 0 JFADHN CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)CCN1CCOC ZINC001294058581 1066531359 /nfs/dbraw/zinc/53/13/59/1066531359.db2.gz SCWOPYQNHYTEHM-BDTNDASRSA-N 0 3 496.722 2.543 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H]2COCCO2)CCN1CCOC ZINC001294066394 1066536273 /nfs/dbraw/zinc/53/62/73/1066536273.db2.gz HSUJGIKOUOTVRO-WOJBJXKFSA-N 0 3 479.025 2.736 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccccc3)n2CCN2CCOC[C@@H]2C)CCN1CCOC ZINC001294065907 1066536472 /nfs/dbraw/zinc/53/64/72/1066536472.db2.gz FIZUSSCKFMXMHD-GMAHTHKFSA-N 0 3 456.635 2.603 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(C)COCCO2)CCN1CCOC ZINC001294066830 1066536831 /nfs/dbraw/zinc/53/68/31/1066536831.db2.gz FFRMPNHIQLALKG-BWKNWUBXSA-N 0 3 473.618 2.696 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2CCc2nccnc2C)CCN1CCOC ZINC001294076340 1066545500 /nfs/dbraw/zinc/54/55/00/1066545500.db2.gz IHHITHIQCNPGEH-OAQYLSRUSA-N 0 3 450.591 2.618 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(F)c2)CCN1CCOC ZINC001294077466 1066546820 /nfs/dbraw/zinc/54/68/20/1066546820.db2.gz PJLJSXCQPKJVDV-LJQANCHMSA-N 0 3 469.565 2.868 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CCCC2(C)C)CCN1CCOC ZINC001294077886 1066547339 /nfs/dbraw/zinc/54/73/39/1066547339.db2.gz TYQRNSJPIILTTC-NTKDMRAZSA-N 0 3 457.623 2.613 20 0 JFADHN C[C@@H]1CCN(C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CCN1Cc1ccccc1 ZINC001294090866 1066561294 /nfs/dbraw/zinc/56/12/94/1066561294.db2.gz WPNSWJZNMLDQMV-OAQYLSRUSA-N 0 3 455.624 2.654 20 0 JFADHN COc1ccc(N2C(=O)CC[C@H](C(=O)NCCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004756730 524387636 /nfs/dbraw/zinc/38/76/36/524387636.db2.gz MWDQIXBSIKJNCK-RDPSFJRHSA-N 0 3 455.555 2.875 20 0 JFADHN COC[C@@H]1CN(CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)C2 ZINC001164813271 720205495 /nfs/dbraw/zinc/20/54/95/720205495.db2.gz NXEZKSXZYXSWGA-QFBILLFUSA-N 0 3 463.978 2.868 20 0 JFADHN O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164724332 720361971 /nfs/dbraw/zinc/36/19/71/720361971.db2.gz JROPQNDERSRKPI-VXKWHMMOSA-N 0 3 460.563 2.917 20 0 JFADHN O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nc21 ZINC001164729313 720428242 /nfs/dbraw/zinc/42/82/42/720428242.db2.gz GWQGTYONFRENCA-FCHUYYIVSA-N 0 3 460.563 2.917 20 0 JFADHN COC(=O)c1cc2c([n-]1)nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164836343 720564307 /nfs/dbraw/zinc/56/43/07/720564307.db2.gz JPMXXGMUZZSMBD-IIDMSEBBSA-N 0 3 457.966 2.972 20 0 JFADHN COC(=O)c1cc2c([n-]1)nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164836343 720564320 /nfs/dbraw/zinc/56/43/20/720564320.db2.gz JPMXXGMUZZSMBD-IIDMSEBBSA-N 0 3 457.966 2.972 20 0 JFADHN FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741222 720841687 /nfs/dbraw/zinc/84/16/87/720841687.db2.gz DUCLNVFEOASIEP-RRFJBIMHSA-N 0 3 455.966 2.935 20 0 JFADHN FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741222 720841688 /nfs/dbraw/zinc/84/16/88/720841688.db2.gz DUCLNVFEOASIEP-RRFJBIMHSA-N 0 3 455.966 2.935 20 0 JFADHN c1ccc(CN2CCc3ncnc(N4CCN5C[C@@H](OCc6cccnc6)C[C@H]5C4)c3C2)cc1 ZINC001164868631 721058336 /nfs/dbraw/zinc/05/83/36/721058336.db2.gz OVAJASQLBKQOJP-ZEQRLZLVSA-N 0 3 456.594 2.910 20 0 JFADHN c1ccc(CN2CCc3c(ncnc3N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)C2)cc1 ZINC001164866396 721078614 /nfs/dbraw/zinc/07/86/14/721078614.db2.gz TURZOYZDAPKFMB-RPWUZVMVSA-N 0 3 456.594 2.910 20 0 JFADHN CC[C@@H]1C(=O)N(C)c2cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164867338 721088090 /nfs/dbraw/zinc/08/80/90/721088090.db2.gz YDBQQKCSMPWVLX-DNVJHFABSA-N 0 3 491.640 2.855 20 0 JFADHN CCOC(Cc1c(Cl)ncnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1)OCC ZINC001164866346 721088662 /nfs/dbraw/zinc/08/86/62/721088662.db2.gz SODBSDSUVWOYOL-MOPGFXCFSA-N 0 3 461.994 2.946 20 0 JFADHN COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864859 721091973 /nfs/dbraw/zinc/09/19/73/721091973.db2.gz GXIRSNNKXDTWDR-MSOLQXFVSA-N 0 3 453.930 2.945 20 0 JFADHN Cc1cc2c(ncnc2N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1S(=O)(=O)c1ccccc1 ZINC001164772708 721093850 /nfs/dbraw/zinc/09/38/50/721093850.db2.gz VWBURWQRYRAFSD-RTWAWAEBSA-N 0 3 491.621 2.669 20 0 JFADHN Cc1cc2c(ncnc2N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1S(=O)(=O)c1ccccc1 ZINC001164772709 721094751 /nfs/dbraw/zinc/09/47/51/721094751.db2.gz VWBURWQRYRAFSD-SFTDATJTSA-N 0 3 491.621 2.669 20 0 JFADHN Cc1cc2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164863531 721109115 /nfs/dbraw/zinc/10/91/15/721109115.db2.gz CSMQYVTVBKJYPV-UXHICEINSA-N 0 3 466.611 2.711 20 0 JFADHN CS(=O)(=O)c1ccc(Oc2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164875465 721126281 /nfs/dbraw/zinc/12/62/81/721126281.db2.gz LQTIYMJLRYSDRO-CTNGQTDRSA-N 0 3 481.578 2.547 20 0 JFADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c4ncn5[C@@H]4CCCCO4)C[C@@H]3C2)cn1 ZINC001164774078 721128418 /nfs/dbraw/zinc/12/84/18/721128418.db2.gz ZUODLXPRUWZHHA-SQNIBIBYSA-N 0 3 456.982 2.871 20 0 JFADHN c1ccc(N2CCN(c3ccc(N4CCN5C[C@H](OCc6cccnc6)C[C@@H]5C4)nn3)CC2)cc1 ZINC001164877002 721146552 /nfs/dbraw/zinc/14/65/52/721146552.db2.gz NPKYDEKHIKQJQZ-JWQCQUIFSA-N 0 3 471.609 2.678 20 0 JFADHN Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164765711 721199058 /nfs/dbraw/zinc/19/90/58/721199058.db2.gz IDHJBGLVFYRTLZ-LEWJYISDSA-N 0 3 481.670 2.832 20 0 JFADHN COc1ccc(-c2ccc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)c(OC)c1OC ZINC001164765536 721226831 /nfs/dbraw/zinc/22/68/31/721226831.db2.gz RWJPBVOTOMPXEZ-MOPGFXCFSA-N 0 3 464.570 2.861 20 0 JFADHN CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC[C@@]4(C3)COCCN(Cc3c(C)noc3C)C4)c12 ZINC001164776473 721340686 /nfs/dbraw/zinc/34/06/86/721340686.db2.gz BYMUDMSNDDHRRM-XMMPIXPASA-N 0 3 468.558 2.858 20 0 JFADHN CCOC(=O)c1c[nH]c2ncnc(N3CCC[C@@]4(C3)COCCN(Cc3c(C)noc3C)C4)c12 ZINC001164776473 721340689 /nfs/dbraw/zinc/34/06/89/721340689.db2.gz BYMUDMSNDDHRRM-XMMPIXPASA-N 0 3 468.558 2.858 20 0 JFADHN COc1cc2nc(C)nc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2cc1OC ZINC001164887124 721412720 /nfs/dbraw/zinc/41/27/20/721412720.db2.gz LBQIIASIWTYONG-CLOONOSVSA-N 0 3 455.603 2.721 20 0 JFADHN COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164897345 721427125 /nfs/dbraw/zinc/42/71/25/721427125.db2.gz SZDXFTBMEUYNMV-BJBPREMXSA-N 0 3 453.587 2.515 20 0 JFADHN COC(=O)C[C@H](c1ccnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1)C1CC1 ZINC001164891552 721431026 /nfs/dbraw/zinc/43/10/26/721431026.db2.gz GWJDZSIVYKSXTM-JCYRPKCISA-N 0 3 456.631 2.904 20 0 JFADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)C3)O2)CC1 ZINC001164898427 721442485 /nfs/dbraw/zinc/44/24/85/721442485.db2.gz VYZNTDVKFQFCSR-LSYYVWMOSA-N 0 3 491.684 2.569 20 0 JFADHN COc1ccc(CN(C)c2ccnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)n2)cc1 ZINC001164891584 721445693 /nfs/dbraw/zinc/44/56/93/721445693.db2.gz HBONGOYWEXIJSW-RPLLCQBOSA-N 0 3 480.657 2.887 20 0 JFADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CCN3C2)c1 ZINC001164904629 721552457 /nfs/dbraw/zinc/55/24/57/721552457.db2.gz DZJVINFESPGYLA-PZJWPPBQSA-N 0 3 453.566 2.553 20 0 JFADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CCN3C2)c1 ZINC001164904625 721552809 /nfs/dbraw/zinc/55/28/09/721552809.db2.gz DZJVINFESPGYLA-CTNGQTDRSA-N 0 3 453.566 2.553 20 0 JFADHN CCOC(=O)c1cnc([S@](C)=O)nc1N1C[C@@H]2CCC[C@H](N(C)Cc3ccccn3)[C@H]2C1 ZINC001165027063 721822652 /nfs/dbraw/zinc/82/26/52/721822652.db2.gz RNTRDTOUURMJHS-JFZQVSNESA-N 0 3 457.600 2.523 20 0 JFADHN CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC001164931016 721883979 /nfs/dbraw/zinc/88/39/79/721883979.db2.gz DZHOCZZUTQRIAP-RBUKOAKNSA-N 0 3 467.998 2.890 20 0 JFADHN CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC001164931016 721883980 /nfs/dbraw/zinc/88/39/80/721883980.db2.gz DZHOCZZUTQRIAP-RBUKOAKNSA-N 0 3 467.998 2.890 20 0 JFADHN CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980303 722133433 /nfs/dbraw/zinc/13/34/33/722133433.db2.gz MPLCKHQILDRGBQ-UGKGYDQZSA-N 0 3 453.587 2.681 20 0 JFADHN NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983846 722136489 /nfs/dbraw/zinc/13/64/89/722136489.db2.gz VRURBASIQXQLLW-YJBOKZPZSA-N 0 3 451.905 2.501 20 0 JFADHN COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164976134 722137550 /nfs/dbraw/zinc/13/75/50/722137550.db2.gz HJPPWULXDOUWGA-WBVHZDCISA-N 0 3 456.934 2.520 20 0 JFADHN COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164976133 722137607 /nfs/dbraw/zinc/13/76/07/722137607.db2.gz HJPPWULXDOUWGA-RDJZCZTQSA-N 0 3 456.934 2.520 20 0 JFADHN CS(=O)(=O)c1cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164973015 722158776 /nfs/dbraw/zinc/15/87/76/722158776.db2.gz JXLPUHJPQMHYJG-WMZOPIPTSA-N 0 3 486.972 2.806 20 0 JFADHN CO[C@]1(C)CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001299742390 1059577583 /nfs/dbraw/zinc/57/75/83/1059577583.db2.gz DKGPJUOMLPVDEE-GREBRCKQSA-N 0 3 478.663 2.505 20 0 JFADHN CO[C@]1(C)CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001299742396 1059580252 /nfs/dbraw/zinc/58/02/52/1059580252.db2.gz DKGPJUOMLPVDEE-QMHWCDLVSA-N 0 3 478.663 2.505 20 0 JFADHN CC(=O)N1C[C@@H](C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)Oc2ccccc21 ZINC001265247643 1059805864 /nfs/dbraw/zinc/80/58/64/1059805864.db2.gz PALQDRQWCGSUSK-OFNKIYASSA-N 0 3 450.539 2.605 20 0 JFADHN CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC(=O)N(CCOc4ccccc4)C3)cc2)CC1 ZINC001265423746 1059855999 /nfs/dbraw/zinc/85/59/99/1059855999.db2.gz XKOMFAWJJVADDR-QFIPXVFZSA-N 0 3 450.583 2.627 20 0 JFADHN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)c1 ZINC001279601255 1059985834 /nfs/dbraw/zinc/98/58/34/1059985834.db2.gz GKBLACGBFDZGMF-LJQANCHMSA-N 0 3 451.633 2.741 20 0 JFADHN CC(=O)N(C)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001286841947 1061109307 /nfs/dbraw/zinc/10/93/07/1061109307.db2.gz KWJIAYKMWASOKP-QFIPXVFZSA-N 0 3 468.581 2.568 20 0 JFADHN CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccncc3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001286849274 1061170833 /nfs/dbraw/zinc/17/08/33/1061170833.db2.gz ALFRWQJCCNBMQD-LEWJYISDSA-N 0 3 467.643 2.933 20 0 JFADHN CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccncc3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001286849278 1061170882 /nfs/dbraw/zinc/17/08/82/1061170882.db2.gz ALFRWQJCCNBMQD-NHCUHLMSSA-N 0 3 467.643 2.933 20 0 JFADHN CC(=O)N1CCN(c2nnc(C(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC12CCCCC2 ZINC001286869789 1061262846 /nfs/dbraw/zinc/26/28/46/1061262846.db2.gz HKOOLIUCFYIEAA-QFIPXVFZSA-N 0 3 487.693 2.716 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccccc4C)n3CCC(=O)NC(C)C)C[C@@H]2C)CC1 ZINC001286870485 1061265934 /nfs/dbraw/zinc/26/59/34/1061265934.db2.gz IPPCZPOCXWOCPS-XUZZJYLKSA-N 0 3 495.672 2.547 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccc[nH]4)n3CCCOCC(C)C)C[C@H]2C)CC1 ZINC001286870832 1061267840 /nfs/dbraw/zinc/26/78/40/1061267840.db2.gz KQXXABDSYKIAJG-OFNKIYASSA-N 0 3 471.650 2.715 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cnccn4)n3CCCOCCC(C)C)C[C@H]2C)CC1 ZINC001286871159 1061270336 /nfs/dbraw/zinc/27/03/36/1061270336.db2.gz MJMVVDHDEYFCQN-QPPBQGQZSA-N 0 3 498.676 2.567 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccc(C)o4)n3CCCOCC(F)F)C[C@@H]2C)CC1 ZINC001286872143 1061276557 /nfs/dbraw/zinc/27/65/57/1061276557.db2.gz SITBMRXEDXFZIT-PXNSSMCTSA-N 0 3 494.587 2.897 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3cccc(O)c3)C[C@H]2C)CC1 ZINC001286872948 1061283131 /nfs/dbraw/zinc/28/31/31/1061283131.db2.gz ZEWBJKJCNJRTFR-AUSIDOKSSA-N 0 3 468.646 3.000 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3cccc(O)c3)C[C@@H]2C)CC1 ZINC001286872949 1061283180 /nfs/dbraw/zinc/28/31/80/1061283180.db2.gz ZEWBJKJCNJRTFR-CVDCTZTESA-N 0 3 468.646 3.000 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccccn4)n3CCSC(C)C)C[C@H]2C)CC1 ZINC001286872969 1061283792 /nfs/dbraw/zinc/28/37/92/1061283792.db2.gz ZLBVUXLEZNYKJX-KNQAVFIVSA-N 0 3 471.675 2.861 20 0 JFADHN Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(CC(C)C)CC2)cn1 ZINC001289692984 1061303515 /nfs/dbraw/zinc/30/35/15/1061303515.db2.gz FZPXODYAKOHPLL-UHFFFAOYSA-N 0 3 453.616 2.799 20 0 JFADHN CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](c3cccs3)N(C)C)C[C@H]2C)CC1 ZINC001286886260 1061328184 /nfs/dbraw/zinc/32/81/84/1061328184.db2.gz BQJPBPQBCXUOEM-NRSPTQNISA-N 0 3 487.718 2.929 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N(C)CCS(C)(=O)=O)n2C[C@H](C)CN2CCCCC2)cc1C ZINC001289727386 1061336091 /nfs/dbraw/zinc/33/60/91/1061336091.db2.gz OQXUJBAFQFDEOM-GOSISDBHSA-N 0 3 490.674 2.750 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H]2N(C)CCCC2(C)C)cc1C ZINC001289740748 1061355124 /nfs/dbraw/zinc/35/51/24/1061355124.db2.gz PEZMXAWGYSCVRW-FPOVZHCZSA-N 0 3 481.645 2.935 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H]2N(C)CCCC2(C)C)cc1C ZINC001289740750 1061355222 /nfs/dbraw/zinc/35/52/22/1061355222.db2.gz PEZMXAWGYSCVRW-TZIWHRDSSA-N 0 3 481.645 2.935 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H](C)N2CCC(C)CC2)cc1C ZINC001289741468 1061357008 /nfs/dbraw/zinc/35/70/08/1061357008.db2.gz YNDQCQQVUPWYMY-NHCUHLMSSA-N 0 3 481.645 2.969 20 0 JFADHN CC(=O)Nc1ccc(CCn2c(N3CCN(C(=O)CN4CCCC4)CC3)nnc2C(C)(C)C)cc1 ZINC001286893996 1061370916 /nfs/dbraw/zinc/37/09/16/1061370916.db2.gz ZVUAQMKWDSUUCD-UHFFFAOYSA-N 0 3 481.645 2.521 20 0 JFADHN Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@@H]2C)cc1 ZINC001289750678 1061371972 /nfs/dbraw/zinc/37/19/72/1061371972.db2.gz JUOZYAKBWBVUDB-IBGZPJMESA-N 0 3 476.585 2.793 20 0 JFADHN Cc1ccc(O[C@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC001289759337 1061381253 /nfs/dbraw/zinc/38/12/53/1061381253.db2.gz LGSZKEVRWGFYJO-OAQYLSRUSA-N 0 3 454.619 2.922 20 0 JFADHN CC(=O)N[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001286914759 1061486417 /nfs/dbraw/zinc/48/64/17/1061486417.db2.gz ZGFFWWUJLKADGS-PKTZIBPZSA-N 0 3 482.608 2.687 20 0 JFADHN CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC001286921669 1061518150 /nfs/dbraw/zinc/51/81/50/1061518150.db2.gz IQMLTNFUGYSENQ-UPVQGACJSA-N 0 3 495.672 2.914 20 0 JFADHN CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001286926849 1061541674 /nfs/dbraw/zinc/54/16/74/1061541674.db2.gz HJNZPSYDZMRYLC-LADGPHEKSA-N 0 3 461.614 2.919 20 0 JFADHN CCC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001294093451 1061572007 /nfs/dbraw/zinc/57/20/07/1061572007.db2.gz DQHUFJMIIACOQX-LEWJYISDSA-N 0 3 489.690 2.582 20 0 JFADHN Cc1cccc(C(=O)NCCn2c(CC(C)C)nnc2N2CC[C@H](N3CCN(C(C)C)CC3)C2)c1 ZINC001289890995 1061576987 /nfs/dbraw/zinc/57/69/87/1061576987.db2.gz ZNAYBQIRMSDCRR-DEOSSOPVSA-N 0 3 481.689 2.820 20 0 JFADHN Cc1cccc(C(=O)NCCn2c(N3CCN(C(C)(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001289893320 1061578088 /nfs/dbraw/zinc/57/80/88/1061578088.db2.gz HMORZHTVZIDOCO-HHHXNRCGSA-N 0 3 498.672 2.978 20 0 JFADHN CN(CCNC(=O)C1CCN(C(=O)c2ncccc2Br)CC1)Cc1ccccc1 ZINC001294103713 1061583630 /nfs/dbraw/zinc/58/36/30/1061583630.db2.gz QLHOCPVQMFUAJR-UHFFFAOYSA-N 0 3 459.388 2.945 20 0 JFADHN Cc1cccc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)n1 ZINC001289908204 1061596255 /nfs/dbraw/zinc/59/62/55/1061596255.db2.gz FAGUBMDVMHPUCF-NHCUHLMSSA-N 0 3 476.629 2.559 20 0 JFADHN CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001294117349 1061599298 /nfs/dbraw/zinc/59/92/98/1061599298.db2.gz WOJVKSQAILLYCX-DENIHFKCSA-N 0 3 475.682 2.766 20 0 JFADHN CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001294136492 1061619751 /nfs/dbraw/zinc/61/97/51/1061619751.db2.gz GUGZKHMCNGDJCL-XVAXZDLZSA-N 0 3 482.695 2.502 20 0 JFADHN CCCCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN2CC=CCC2)CC1 ZINC001294164882 1061656033 /nfs/dbraw/zinc/65/60/33/1061656033.db2.gz FPWUHWKVVTVAJZ-UHFFFAOYSA-N 0 3 452.607 2.520 20 0 JFADHN Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H](c2cccc(F)c2)N(C)C)n1 ZINC001289965831 1061671669 /nfs/dbraw/zinc/67/16/69/1061671669.db2.gz UFPABOSJFVLDQP-RXVVDRJESA-N 0 3 451.550 2.792 20 0 JFADHN Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H](c2cccc(F)c2)N(C)C)n1 ZINC001289965832 1061671741 /nfs/dbraw/zinc/67/17/41/1061671741.db2.gz UFPABOSJFVLDQP-WIYYLYMNSA-N 0 3 451.550 2.792 20 0 JFADHN CC(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCc2ccccc2)CC1 ZINC001286950810 1061683967 /nfs/dbraw/zinc/68/39/67/1061683967.db2.gz MVQYEPBJBHPALO-UHFFFAOYSA-N 0 3 468.005 2.884 20 0 JFADHN CCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001294195300 1061702990 /nfs/dbraw/zinc/70/29/90/1061702990.db2.gz AUDKHHPLWRNASX-DENIHFKCSA-N 0 3 470.618 2.970 20 0 JFADHN CC(=O)NCCCn1c(COc2ccccc2F)nnc1N1CCN(C2CCCCC2)CC1 ZINC001286955142 1061708201 /nfs/dbraw/zinc/70/82/01/1061708201.db2.gz MITAEYUXBFOAMO-UHFFFAOYSA-N 0 3 458.582 2.977 20 0 JFADHN Cc1cccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2CCCO)c1 ZINC001289997491 1061721178 /nfs/dbraw/zinc/72/11/78/1061721178.db2.gz FVVOTPNCNLRBLL-FGZHOGPDSA-N 0 3 454.619 2.913 20 0 JFADHN CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cccnc2)n1CCN1CC=CCC1 ZINC001286958133 1061723904 /nfs/dbraw/zinc/72/39/04/1061723904.db2.gz IDVZKICDPJTBOW-UHFFFAOYSA-N 0 3 451.600 2.806 20 0 JFADHN CCCCN(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001294216999 1061726611 /nfs/dbraw/zinc/72/66/11/1061726611.db2.gz NLLGEFAEOWILLB-SFHVURJKSA-N 0 3 489.564 2.848 20 0 JFADHN CCCCN(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1c1nncn1C ZINC001294218027 1061729833 /nfs/dbraw/zinc/72/98/33/1061729833.db2.gz XGUQLOIGIDNFLV-FQEVSTJZSA-N 0 3 486.646 2.551 20 0 JFADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3oc4ccccc4c3CN(C)C)CC2)cc1 ZINC001290054649 1061774147 /nfs/dbraw/zinc/77/41/47/1061774147.db2.gz XCZSXULYGHQQJW-UHFFFAOYSA-N 0 3 457.552 2.650 20 0 JFADHN CCCCN1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001294309612 1061799994 /nfs/dbraw/zinc/79/99/94/1061799994.db2.gz CBEQXKWVKIALHN-OALUTQOASA-N 0 3 450.653 2.808 20 0 JFADHN Cc1cccc(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@@]2(O)CCOC2)c1 ZINC001290073507 1061801733 /nfs/dbraw/zinc/80/17/33/1061801733.db2.gz IJHXTXPEGMFPRQ-VWLOTQADSA-N 0 3 457.619 2.875 20 0 JFADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CC(C)(C)CN1CCCC1 ZINC001286979359 1061805501 /nfs/dbraw/zinc/80/55/01/1061805501.db2.gz YNFHXJKOGIOGQB-OALUTQOASA-N 0 3 462.664 2.644 20 0 JFADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CC(C)(C)CN1CCCC1 ZINC001286979363 1061805737 /nfs/dbraw/zinc/80/57/37/1061805737.db2.gz YNFHXJKOGIOGQB-RTBURBONSA-N 0 3 462.664 2.644 20 0 JFADHN Cc1cccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H](C(C)C)N2CCCC2)c1 ZINC001290078044 1061807855 /nfs/dbraw/zinc/80/78/55/1061807855.db2.gz QDURBRXDYWKQJW-OAQYLSRUSA-N 0 3 461.632 2.521 20 0 JFADHN CC(C)(C)C(=O)NCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC2CC2)CC1 ZINC001286985364 1061853590 /nfs/dbraw/zinc/85/35/90/1061853590.db2.gz ZCRQAXJQWXGCIH-UHFFFAOYSA-N 0 3 478.439 2.730 20 0 JFADHN CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCN2CC=CCC2)C1 ZINC001294349193 1061913884 /nfs/dbraw/zinc/91/38/84/1061913884.db2.gz NWDSHIQPTWTLLM-JOCHJYFZSA-N 0 3 451.619 2.659 20 0 JFADHN Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)CC2)n1CC1CCS(=O)(=O)CC1 ZINC001290173272 1061918501 /nfs/dbraw/zinc/91/85/01/1061918501.db2.gz DRBPIKYRYBMXSL-UHFFFAOYSA-N 0 3 459.660 2.780 20 0 JFADHN Cc1ccccc1Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001290177075 1061925402 /nfs/dbraw/zinc/92/54/02/1061925402.db2.gz RNUVPQBMDVKHCA-UHFFFAOYSA-N 0 3 493.622 2.888 20 0 JFADHN CCCCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001294359381 1061931112 /nfs/dbraw/zinc/93/11/12/1061931112.db2.gz PMIZXFJRPHVHMP-OALUTQOASA-N 0 3 487.674 2.726 20 0 JFADHN CC(C)(C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1cccnc1OCC(F)F ZINC001287010204 1061940895 /nfs/dbraw/zinc/94/08/95/1061940895.db2.gz HKQSUGMWSMNEMG-KRWDZBQOSA-N 0 3 464.561 2.821 20 0 JFADHN CCCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001294402450 1061970028 /nfs/dbraw/zinc/97/00/28/1061970028.db2.gz TZXOVOAECKHNPU-NRFANRHFSA-N 0 3 470.618 2.513 20 0 JFADHN CC1=CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001290230330 1061978803 /nfs/dbraw/zinc/97/88/03/1061978803.db2.gz YKPYCNFFMJFFLK-QFIPXVFZSA-N 0 3 452.603 2.864 20 0 JFADHN CC1=CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccs2)N2CCCC2)CC1 ZINC001290250108 1061988687 /nfs/dbraw/zinc/98/86/87/1061988687.db2.gz DZITWEXRODCHSC-MSOLQXFVSA-N 0 3 464.661 2.943 20 0 JFADHN CC(C)(C)Cc1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1CCN1CC=CCC1 ZINC001287033891 1061992815 /nfs/dbraw/zinc/99/28/15/1061992815.db2.gz AWLKQFPVPUINBM-UHFFFAOYSA-N 0 3 465.646 2.889 20 0 JFADHN CC1=CCN(c2nnc(CCOc3ccccc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001290265584 1061996016 /nfs/dbraw/zinc/99/60/16/1061996016.db2.gz YMSIVBJCPYJFGI-HSZRJFAPSA-N 0 3 466.630 2.999 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCSCC2)CC1 ZINC001287039289 1062005934 /nfs/dbraw/zinc/00/59/34/1062005934.db2.gz CGMNWZOPJPKVFE-UHFFFAOYSA-N 0 3 486.690 2.532 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(CCc3ccccc3)n2CCCn2cnnn2)CC1 ZINC001287041798 1062010552 /nfs/dbraw/zinc/01/05/52/1062010552.db2.gz RNSWLVMEXBTYBS-UHFFFAOYSA-N 0 3 451.623 2.698 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001287042110 1062011217 /nfs/dbraw/zinc/01/12/17/1062011217.db2.gz ZOTCJCGUBGYPKN-HXUWFJFHSA-N 0 3 453.635 2.737 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCOCCS(C)(=O)=O)CC1 ZINC001287043361 1062014786 /nfs/dbraw/zinc/01/47/86/1062014786.db2.gz ZZPVEJBYOYGYBP-UHFFFAOYSA-N 0 3 489.686 2.730 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001287043842 1062016938 /nfs/dbraw/zinc/01/69/38/1062016938.db2.gz NYEWEKNKVTUZEZ-UHFFFAOYSA-N 0 3 456.488 2.607 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(COc3ccccc3F)n2CCNC(=O)c2ccco2)CC1 ZINC001287044247 1062019273 /nfs/dbraw/zinc/01/92/73/1062019273.db2.gz HHARJCNUKYGMOG-UHFFFAOYSA-N 0 3 470.549 2.940 20 0 JFADHN CC(C)OCCN1CCC(NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC001294503882 1062039287 /nfs/dbraw/zinc/03/92/87/1062039287.db2.gz WPLTUZDRGMDNIJ-KRWDZBQOSA-N 0 3 452.393 2.808 20 0 JFADHN COc1cc(C(=O)NCC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC001294508808 1062046650 /nfs/dbraw/zinc/04/66/50/1062046650.db2.gz AEVNTBMSMYLLFB-FQEVSTJZSA-N 0 3 455.555 2.565 20 0 JFADHN Cc1csc(N2CCN(c3nnc(C(C)(C)C)n3CCCN3CCC[C@H]3C(=O)N(C)C)CC2)n1 ZINC001290354374 1062065932 /nfs/dbraw/zinc/06/59/32/1062065932.db2.gz RMBGBAYDYIMDOX-IBGZPJMESA-N 0 3 488.706 2.610 20 0 JFADHN Cc1nc(Cc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@H](C)C2)cs1 ZINC001290385125 1062088367 /nfs/dbraw/zinc/08/83/67/1062088367.db2.gz HGSIDDVKHMTRBG-FUHIMQAGSA-N 0 3 480.704 2.625 20 0 JFADHN Cc1nc(Cc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@@H](C)C2)cs1 ZINC001290385128 1062088411 /nfs/dbraw/zinc/08/84/11/1062088411.db2.gz HGSIDDVKHMTRBG-MBOZVWFJSA-N 0 3 480.704 2.625 20 0 JFADHN O=C(CCCN1CCN(c2ccccc2)CC1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC001290400527 1062101935 /nfs/dbraw/zinc/10/19/35/1062101935.db2.gz JISAGCXHLHEIBL-RUZDIDTESA-N 0 3 454.590 2.918 20 0 JFADHN CCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001294602345 1062112536 /nfs/dbraw/zinc/11/25/36/1062112536.db2.gz MLDQRPTUXVKXAW-SFHVURJKSA-N 0 3 491.434 2.869 20 0 JFADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1cc(N2CCNC2=O)ccc1Cl ZINC001290416169 1062136407 /nfs/dbraw/zinc/13/64/07/1062136407.db2.gz OIEVPVUVDWEMOA-UHFFFAOYSA-N 0 3 455.990 2.807 20 0 JFADHN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC001290416385 1062137669 /nfs/dbraw/zinc/13/76/69/1062137669.db2.gz SRMZYXBNYJJWQT-YTFSRNRJSA-N 0 3 456.631 2.814 20 0 JFADHN Cc1nc(Cc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H](c2cccs2)N(C)C)cs1 ZINC001290428921 1062182667 /nfs/dbraw/zinc/18/26/67/1062182667.db2.gz UWEISOHMFFHZQN-DOTOQJQBSA-N 0 3 459.645 2.700 20 0 JFADHN Cc1nc(Cc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H](c2cccc(F)c2)N(C)C)cs1 ZINC001290430980 1062188762 /nfs/dbraw/zinc/18/87/62/1062188762.db2.gz GOEYLJQUFXOZTJ-FOIQADDNSA-N 0 3 471.606 2.743 20 0 JFADHN Cc1nc(Cc2nnc(N3CCN(CC(C)C)CC3)n2CCNC(=O)OC(C)(C)C)cs1 ZINC001290431606 1062192067 /nfs/dbraw/zinc/19/20/67/1062192067.db2.gz HUECDCFKOAVTRW-UHFFFAOYSA-N 0 3 463.652 2.937 20 0 JFADHN CCCN1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CC)Cc2ccc(OC)cc2)C1 ZINC001294655719 1062200199 /nfs/dbraw/zinc/20/01/99/1062200199.db2.gz BZCSKJPMMLXXJV-RTWAWAEBSA-N 0 3 475.659 2.947 20 0 JFADHN CC(C)C(=O)N1CCCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001287108897 1062320584 /nfs/dbraw/zinc/32/05/84/1062320584.db2.gz GJIQHLIJJMMIDN-HXUWFJFHSA-N 0 3 468.631 2.794 20 0 JFADHN CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001287119140 1062357884 /nfs/dbraw/zinc/35/78/84/1062357884.db2.gz KDMOUJQAGATEEN-RTBURBONSA-N 0 3 470.647 2.784 20 0 JFADHN CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001287124286 1062380874 /nfs/dbraw/zinc/38/08/74/1062380874.db2.gz HMNRCLCGZRWWME-FCHUYYIVSA-N 0 3 489.709 2.534 20 0 JFADHN Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCN3CCC(C)CC3)C2)n1 ZINC001290582344 1062389096 /nfs/dbraw/zinc/38/90/96/1062389096.db2.gz ULDVBMAHYYAZIJ-OAQYLSRUSA-N 0 3 456.639 2.803 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)cc3)n2CCN2CCN(C)C(C)(C)C2)n1 ZINC001290598744 1062424418 /nfs/dbraw/zinc/42/44/18/1062424418.db2.gz WPKFWDHXDWZAMO-UHFFFAOYSA-N 0 3 468.625 2.941 20 0 JFADHN CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001294797548 1062433598 /nfs/dbraw/zinc/43/35/98/1062433598.db2.gz UESLHIAJHJYGEY-UGKGYDQZSA-N 0 3 480.592 2.920 20 0 JFADHN CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001294797298 1062433648 /nfs/dbraw/zinc/43/36/48/1062433648.db2.gz SBZXEGFLRMECBV-VJBWXMMDSA-N 0 3 495.672 2.837 20 0 JFADHN CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3OC)n2CCN2CC=CCC2)C1 ZINC001294806609 1062459625 /nfs/dbraw/zinc/45/96/25/1062459625.db2.gz WVUFHGQYGNHBLI-QFIPXVFZSA-N 0 3 466.630 2.882 20 0 JFADHN CCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001294821973 1062504919 /nfs/dbraw/zinc/50/49/19/1062504919.db2.gz CCZUJHKEWACINF-JOCHJYFZSA-N 0 3 480.592 2.920 20 0 JFADHN CC(C)[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001287144794 1062509617 /nfs/dbraw/zinc/50/96/17/1062509617.db2.gz IJYYJVMZQYUIEY-VGOFRKELSA-N 0 3 495.466 2.612 20 0 JFADHN CC(C)[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001287153242 1062530989 /nfs/dbraw/zinc/53/09/89/1062530989.db2.gz MCAWMZSMPDWDRS-CYFREDJKSA-N 0 3 461.582 2.562 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2CCCc2nnc(C)s2)n1 ZINC001290645206 1062534299 /nfs/dbraw/zinc/53/42/99/1062534299.db2.gz FSGCQCWYRJAVLN-UHFFFAOYSA-N 0 3 457.652 2.710 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCN(CC4CC4)CC3)n2CCCCNC(=O)OC(C)(C)C)n1 ZINC001290647839 1062542928 /nfs/dbraw/zinc/54/29/28/1062542928.db2.gz PUUFULWPINBMAO-UHFFFAOYSA-N 0 3 486.665 2.977 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCN(CC(F)F)CC3)n2C[C@H](c2ccc(F)cc2)N(C)C)n1 ZINC001290648715 1062545417 /nfs/dbraw/zinc/54/54/17/1062545417.db2.gz UXEOYAVZYFNMDN-OAQYLSRUSA-N 0 3 490.578 2.969 20 0 JFADHN CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CN2CCOCC2)CC1)N1CCOCC1 ZINC001287157988 1062549194 /nfs/dbraw/zinc/54/91/94/1062549194.db2.gz BHXGEHBEYPNDRR-HSZRJFAPSA-N 0 3 476.710 2.772 20 0 JFADHN Cc1nnc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(CC3CCCCC3)CC2)s1 ZINC001290679558 1062590836 /nfs/dbraw/zinc/59/08/36/1062590836.db2.gz ZMMCQRFZUZQAIA-UHFFFAOYSA-N 0 3 474.679 2.911 20 0 JFADHN Cc1nnc(CCCn2c(CC(C)C)nnc2N2CC[C@@H](N3CCN(C(C)C)CC3)C2)s1 ZINC001290679763 1062591956 /nfs/dbraw/zinc/59/19/56/1062591956.db2.gz KXPALYAABJHBIG-HXUWFJFHSA-N 0 3 460.696 2.874 20 0 JFADHN CCCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001294884865 1062599157 /nfs/dbraw/zinc/59/91/57/1062599157.db2.gz WPNSNTXVFBZTCD-UHFFFAOYSA-N 0 3 492.571 2.621 20 0 JFADHN CC(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001287213593 1062671772 /nfs/dbraw/zinc/67/17/72/1062671772.db2.gz BTJZHHXQVJIMOS-UHFFFAOYSA-N 0 3 465.524 2.608 20 0 JFADHN CCCOc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@@H]3C)n2CCn2cncn2)cc1OC ZINC001294922604 1062689024 /nfs/dbraw/zinc/68/90/24/1062689024.db2.gz CVFASOBUKZZCTO-MOPGFXCFSA-N 0 3 468.606 2.953 20 0 JFADHN CC(C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001287222733 1062709624 /nfs/dbraw/zinc/70/96/24/1062709624.db2.gz IOPKYTAROIAKEI-FQEVSTJZSA-N 0 3 455.607 2.702 20 0 JFADHN Cc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H](c1ccco1)N1CCCCC1 ZINC001290824117 1062718117 /nfs/dbraw/zinc/71/81/17/1062718117.db2.gz MUBZUZQZDVFMEQ-PMACEKPBSA-N 0 3 464.636 2.515 20 0 JFADHN CCCOc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@@H](C)N2CCN(CC)CC2)cc1OC ZINC001294941198 1062727232 /nfs/dbraw/zinc/72/72/32/1062727232.db2.gz XBVZRNMBUMXOPP-NHCUHLMSSA-N 0 3 486.661 2.994 20 0 JFADHN O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCCn2ncnc21 ZINC001290846220 1062732382 /nfs/dbraw/zinc/73/23/82/1062732382.db2.gz CFEQJUFHZWQCIS-LJQANCHMSA-N 0 3 450.509 2.893 20 0 JFADHN Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001290853017 1062738197 /nfs/dbraw/zinc/73/81/97/1062738197.db2.gz UKONINRUMSPEFS-QFIPXVFZSA-N 0 3 497.644 2.919 20 0 JFADHN CCN1CCN(Cc2ccc(NC(=O)c3cccn(CC(=O)OC(C)(C)C)c3=O)cc2)CC1 ZINC001290859565 1062743672 /nfs/dbraw/zinc/74/36/72/1062743672.db2.gz DNALKUAIGSMIDB-UHFFFAOYSA-N 0 3 454.571 2.580 20 0 JFADHN Cc1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n1CCN(C)Cc1ccccc1 ZINC001290870820 1062756968 /nfs/dbraw/zinc/75/69/68/1062756968.db2.gz YDBFUKWURKBGIH-QPPBQGQZSA-N 0 3 467.662 2.535 20 0 JFADHN CCCOc1ncccc1Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001294976866 1062760905 /nfs/dbraw/zinc/76/09/05/1062760905.db2.gz DMWLWUUTZAYTSZ-PZJWPPBQSA-N 0 3 469.634 2.767 20 0 JFADHN Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC001290898284 1062771806 /nfs/dbraw/zinc/77/18/06/1062771806.db2.gz VOSUCGGFFUQLJT-FPOVZHCZSA-N 0 3 469.634 2.901 20 0 JFADHN CCCO[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCC2)CC1 ZINC001295001780 1062787873 /nfs/dbraw/zinc/78/78/73/1062787873.db2.gz GUQJAYWMCSBAJZ-NJDAHSKKSA-N 0 3 467.680 2.698 20 0 JFADHN CCCO[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCC2)CC1 ZINC001295001790 1062787920 /nfs/dbraw/zinc/78/79/20/1062787920.db2.gz GUQJAYWMCSBAJZ-QHAWAJNXSA-N 0 3 467.680 2.698 20 0 JFADHN CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N(C)C ZINC001287321575 1062799224 /nfs/dbraw/zinc/79/92/24/1062799224.db2.gz JQVNKWFWGIYXKU-QZTJIDSGSA-N 0 3 469.055 2.983 20 0 JFADHN CC(C)Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 ZINC001287356026 1062827134 /nfs/dbraw/zinc/82/71/34/1062827134.db2.gz JVTGNGGSOBIGCF-VXKWHMMOSA-N 0 3 459.660 2.665 20 0 JFADHN CC(C)Cc1nnc(N2CCC(CC(N)=O)CC2)n1CCCN1CCN(c2ccccc2)CC1 ZINC001287411216 1062850444 /nfs/dbraw/zinc/85/04/44/1062850444.db2.gz ONSFHTSORIGASA-UHFFFAOYSA-N 0 3 467.662 2.781 20 0 JFADHN CC(C)Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@@](C)(O)c1ccccc1 ZINC001287417636 1062855074 /nfs/dbraw/zinc/85/50/74/1062855074.db2.gz CEQSBWPIZCTAHU-JYFHCDHNSA-N 0 3 454.663 2.989 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001287462906 1062904104 /nfs/dbraw/zinc/90/41/04/1062904104.db2.gz VAYXGTBREFGMHD-BWKNWUBXSA-N 0 3 489.064 2.781 20 0 JFADHN C[C@@H]1C[C@@H](C)CN(CCCn2c(Cc3ccsc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001291015703 1062926479 /nfs/dbraw/zinc/92/64/79/1062926479.db2.gz VGXYAOYQISZPOH-GGPKGHCWSA-N 0 3 465.689 2.922 20 0 JFADHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc(I)cc1 ZINC001295145552 1062965976 /nfs/dbraw/zinc/96/59/76/1062965976.db2.gz FUBNQVBMKJQYFQ-HKUYNNGSSA-N 0 3 450.320 2.904 20 0 JFADHN CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295158660 1062982596 /nfs/dbraw/zinc/98/25/96/1062982596.db2.gz LWIWZQMJXOFHCM-SFHVURJKSA-N 0 3 479.647 2.564 20 0 JFADHN CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295166092 1062990164 /nfs/dbraw/zinc/99/01/64/1062990164.db2.gz DGUSHSKLFREICM-IEBWSBKVSA-N 0 3 482.050 2.961 20 0 JFADHN CC(C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001287620906 1063006329 /nfs/dbraw/zinc/00/63/29/1063006329.db2.gz PINRCBSTHYYZOM-LEWJYISDSA-N 0 3 492.665 2.791 20 0 JFADHN CC(C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001287620907 1063006444 /nfs/dbraw/zinc/00/64/44/1063006444.db2.gz PINRCBSTHYYZOM-NHCUHLMSSA-N 0 3 492.665 2.791 20 0 JFADHN C[C@@H]1CCc2sc(-c3nnc(N4CCN(C(C)(C)C)CC4)n3CCCNS(C)(=O)=O)cc2C1 ZINC001291064355 1063006707 /nfs/dbraw/zinc/00/67/07/1063006707.db2.gz HLBOLVBWPDABPN-QGZVFWFLSA-N 0 3 494.731 2.991 20 0 JFADHN CC(C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001287623854 1063007653 /nfs/dbraw/zinc/00/76/53/1063007653.db2.gz WEXOVHABLGDLOI-UHFFFAOYSA-N 0 3 460.648 2.864 20 0 JFADHN C[C@@H]1CCC[C@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccn2)(N(C)C)C1 ZINC001291067400 1063013884 /nfs/dbraw/zinc/01/38/84/1063013884.db2.gz AMCCNCSKTWXQBE-PWHSHALESA-N 0 3 460.648 2.722 20 0 JFADHN CCN(c1nnc(Cc2ccccn2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295230378 1063053256 /nfs/dbraw/zinc/05/32/56/1063053256.db2.gz XPLCYJJMXIOPQU-FPOVZHCZSA-N 0 3 460.648 2.542 20 0 JFADHN C[C@@H]1CCCCN1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnn(C)c1 ZINC001291097883 1063061172 /nfs/dbraw/zinc/06/11/72/1063061172.db2.gz DJAYOXIZGHAOOH-LJQANCHMSA-N 0 3 485.658 2.983 20 0 JFADHN C[C@H]1CCCCN1CCCn1c(Cc2c(F)cccc2F)nnc1N(C)CCS(C)(=O)=O ZINC001291099372 1063065342 /nfs/dbraw/zinc/06/53/42/1063065342.db2.gz FZACQCOVVQCDMN-KRWDZBQOSA-N 0 3 469.602 2.892 20 0 JFADHN CC(C)CN1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2nccs2)C1 ZINC001287743555 1063070862 /nfs/dbraw/zinc/07/08/62/1063070862.db2.gz YKNLAACGHIGKSS-ZWKOTPCHSA-N 0 3 466.677 2.641 20 0 JFADHN C[C@@H]1CCCN(C(C)(C)Cn2c(-c3cnccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291102823 1063079172 /nfs/dbraw/zinc/07/91/72/1063079172.db2.gz TVASCWJJPTVQGC-RTBURBONSA-N 0 3 475.663 2.649 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001287767979 1063093013 /nfs/dbraw/zinc/09/30/13/1063093013.db2.gz IMYWATSJQLHZFG-HSALFYBXSA-N 0 3 489.665 2.653 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCCO2)CC1 ZINC001287768886 1063095008 /nfs/dbraw/zinc/09/50/08/1063095008.db2.gz LKUMTHSRCCBSFR-RTWAWAEBSA-N 0 3 492.665 2.934 20 0 JFADHN CC(C)NC(=O)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCC[C@@H](C)C1 ZINC001291125758 1063149818 /nfs/dbraw/zinc/14/98/18/1063149818.db2.gz ASSKDPYSRMNKMB-GOSISDBHSA-N 0 3 490.052 2.554 20 0 JFADHN CC(C)NC(=O)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CCN1CCC[C@H](C)C1 ZINC001291126368 1063154695 /nfs/dbraw/zinc/15/46/95/1063154695.db2.gz LAMGDTCNEBELIU-HNNXBMFYSA-N 0 3 470.544 2.537 20 0 JFADHN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CCN1CCC[C@H](C)C1 ZINC001291126430 1063155610 /nfs/dbraw/zinc/15/56/10/1063155610.db2.gz MHFPTZOGGLULRT-RBUKOAKNSA-N 0 3 490.674 2.749 20 0 JFADHN CC(C)NC(=O)c1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1CCN1CCC[C@@H](C)C1 ZINC001291126928 1063156737 /nfs/dbraw/zinc/15/67/37/1063156737.db2.gz VSALZEXFEQYQTR-CVCYQNGTSA-N 0 3 460.648 2.522 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CC[C@@H](OCc3ccccc3)C2)n1CCN1CCC[C@@H](C)C1 ZINC001291126954 1063158006 /nfs/dbraw/zinc/15/80/06/1063158006.db2.gz WHDRCDQTKLNQBF-IFMALSPDSA-N 0 3 454.619 2.944 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CC[C@H](OCc3ccccc3)C2)n1CCN1CCC[C@@H](C)C1 ZINC001291126955 1063158099 /nfs/dbraw/zinc/15/80/99/1063158099.db2.gz WHDRCDQTKLNQBF-IRLDBZIGSA-N 0 3 454.619 2.944 20 0 JFADHN CCN(CC)C(=O)CCCn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001295313250 1063182375 /nfs/dbraw/zinc/18/23/75/1063182375.db2.gz JHNJPFPMHAHSOJ-FQEVSTJZSA-N 0 3 458.607 2.654 20 0 JFADHN C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCN2CCCO)C1 ZINC001291146528 1063230990 /nfs/dbraw/zinc/23/09/90/1063230990.db2.gz GMDWEWUZZPUMMH-YLJYHZDGSA-N 0 3 461.010 2.555 20 0 JFADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC(C)CC1 ZINC001291181485 1063275127 /nfs/dbraw/zinc/27/51/27/1063275127.db2.gz JGZHMOSWSVDREA-GOSISDBHSA-N 0 3 477.631 2.665 20 0 JFADHN CC1CCN(CCCn2c(CCOc3ccccc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001291182929 1063279034 /nfs/dbraw/zinc/27/90/34/1063279034.db2.gz AVYHTFJUAOAXNA-QFIPXVFZSA-N 0 3 475.659 2.645 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCN1CCC(C)CC1 ZINC001291183067 1063279594 /nfs/dbraw/zinc/27/95/94/1063279594.db2.gz FGAILJSZYYFLDS-LJQANCHMSA-N 0 3 477.654 2.594 20 0 JFADHN CC1CCN(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCS(=O)CC2)CC1 ZINC001291185985 1063288240 /nfs/dbraw/zinc/28/82/40/1063288240.db2.gz VVRWTSYMERXEDK-IBGZPJMESA-N 0 3 480.679 2.651 20 0 JFADHN CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001295351942 1063298885 /nfs/dbraw/zinc/29/88/85/1063298885.db2.gz TZXNYIDWDMXHRC-FCHUYYIVSA-N 0 3 469.634 2.669 20 0 JFADHN CN(CC(=O)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)[C@@H]1CCC[C@H]1O ZINC001295361091 1063322074 /nfs/dbraw/zinc/32/20/74/1063322074.db2.gz XLPIRTRGMUYMBG-JWQCQUIFSA-N 0 3 451.611 2.782 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001295365316 1063327723 /nfs/dbraw/zinc/32/77/23/1063327723.db2.gz GXLSTPVCXSIVGM-ICSRJNTNSA-N 0 3 485.658 2.806 20 0 JFADHN CC[NH+](CC)[C@@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001295370279 1063335738 /nfs/dbraw/zinc/33/57/38/1063335738.db2.gz MHDJOANBQLYOPM-IBGZPJMESA-N 0 3 463.586 2.738 20 0 JFADHN C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001291198421 1063348619 /nfs/dbraw/zinc/34/86/19/1063348619.db2.gz WUXDNVODEFTJKY-LJQANCHMSA-N 0 3 498.632 2.857 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 ZINC001295379229 1063350340 /nfs/dbraw/zinc/35/03/40/1063350340.db2.gz LKYQJQMXRGPPJL-NXHRZFHOSA-N 0 3 459.607 2.782 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001295379516 1063351088 /nfs/dbraw/zinc/35/10/88/1063351088.db2.gz MJYBHCFMUOYBRW-MOPGFXCFSA-N 0 3 467.680 2.839 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)CC1 ZINC001295379474 1063351127 /nfs/dbraw/zinc/35/11/27/1063351127.db2.gz LZWQTRPTBNEMLS-LEWJYISDSA-N 0 3 474.675 2.546 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001295380022 1063352552 /nfs/dbraw/zinc/35/25/52/1063352552.db2.gz OFWPWKOPPVKTMQ-MSOLQXFVSA-N 0 3 496.628 2.515 20 0 JFADHN C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCCCC2)C[C@H](C)O1 ZINC001291199473 1063353648 /nfs/dbraw/zinc/35/36/48/1063353648.db2.gz OBIPDCYMEUIIIC-ROUUACIJSA-N 0 3 461.010 2.961 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001295382213 1063355514 /nfs/dbraw/zinc/35/55/14/1063355514.db2.gz ZGHPKEGILLSYAO-JKSUJKDBSA-N 0 3 455.575 2.501 20 0 JFADHN C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001295383930 1063357717 /nfs/dbraw/zinc/35/77/17/1063357717.db2.gz FYDRBFZTINAPJT-SESVDKBCSA-N 0 3 458.603 2.654 20 0 JFADHN C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001295383928 1063357759 /nfs/dbraw/zinc/35/77/59/1063357759.db2.gz FYDRBFZTINAPJT-CEWLAPEOSA-N 0 3 458.603 2.654 20 0 JFADHN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)c12 ZINC001295384273 1063359059 /nfs/dbraw/zinc/35/90/59/1063359059.db2.gz ISLDQWYUGREPPC-HXUWFJFHSA-N 0 3 454.619 2.997 20 0 JFADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)CC1 ZINC001295384269 1063359128 /nfs/dbraw/zinc/35/91/28/1063359128.db2.gz IQNNGHBOYSFFGP-OAHLLOKOSA-N 0 3 453.768 2.962 20 0 JFADHN COc1ccc(Nc2ccc(C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)cc2)c(OC)c1 ZINC001295384670 1063359862 /nfs/dbraw/zinc/35/98/62/1063359862.db2.gz LWOVOTBXJYEQKL-JOCHJYFZSA-N 0 3 452.555 2.826 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(COc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001295389660 1063367312 /nfs/dbraw/zinc/36/73/12/1063367312.db2.gz FSPXVVADAQPJNR-KRWDZBQOSA-N 0 3 467.611 2.740 20 0 JFADHN CCN(CC)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1)c1ccsc1 ZINC001295390772 1063370875 /nfs/dbraw/zinc/37/08/75/1063370875.db2.gz AKPQZMUKOTXYGQ-AEFFLSMTSA-N 0 3 484.692 2.648 20 0 JFADHN CCN(CC)[C@H](Cn1c(C(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)c1ccco1 ZINC001295390977 1063372278 /nfs/dbraw/zinc/37/22/78/1063372278.db2.gz CKSZABZSPSVVRG-QGZVFWFLSA-N 0 3 457.579 2.598 20 0 JFADHN CCN(CC)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSCC1)c1ccsc1 ZINC001295391019 1063373112 /nfs/dbraw/zinc/37/31/12/1063373112.db2.gz DALBWNPLEOWUNW-WBVHZDCISA-N 0 3 472.706 2.586 20 0 JFADHN CCN(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC(CC(=O)NC)CC1)c1ccco1 ZINC001295398014 1063384919 /nfs/dbraw/zinc/38/49/19/1063384919.db2.gz AHYVPKXBUJCCAY-HXUWFJFHSA-N 0 3 466.590 2.764 20 0 JFADHN C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291209811 1063385313 /nfs/dbraw/zinc/38/53/13/1063385313.db2.gz RNEQDUMCOLKGKF-SVFBPWRDSA-N 0 3 488.608 2.725 20 0 JFADHN CCN(CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(C)=O)CC1)c1ccco1 ZINC001295404976 1063391818 /nfs/dbraw/zinc/39/18/18/1063391818.db2.gz FFUWPQMNOWFSNX-RTWAWAEBSA-N 0 3 458.607 2.811 20 0 JFADHN CCN(CC)[C@H](Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1C(C)(C)C)c1ccco1 ZINC001295405300 1063392362 /nfs/dbraw/zinc/39/23/62/1063392362.db2.gz PWIQEZZCBQHFNG-QGZVFWFLSA-N 0 3 471.606 2.772 20 0 JFADHN CCN(CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccco1 ZINC001295405222 1063392553 /nfs/dbraw/zinc/39/25/53/1063392553.db2.gz FVJFPTNRUAUVBP-CTNGQTDRSA-N 0 3 458.607 2.905 20 0 JFADHN CC(C)N1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C)C2)C1 ZINC001291215772 1063430566 /nfs/dbraw/zinc/43/05/66/1063430566.db2.gz VNKJIZCNAQXBSU-RTBURBONSA-N 0 3 461.632 2.694 20 0 JFADHN COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(NC4=NCCC4)cc3)CC2)cc1 ZINC001295425279 1063438916 /nfs/dbraw/zinc/43/89/16/1063438916.db2.gz VJSXVHHTUPWGLS-UHFFFAOYSA-N 0 3 456.568 2.836 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(C)COC2)CC1 ZINC001295480497 1063490278 /nfs/dbraw/zinc/49/02/78/1063490278.db2.gz MLZVLSJTUGZAEF-LJQANCHMSA-N 0 3 488.608 2.584 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2C[C@H]2C)CC1 ZINC001295480371 1063490491 /nfs/dbraw/zinc/49/04/91/1063490491.db2.gz LKPCJVYZJKNAPZ-SJORKVTESA-N 0 3 492.466 2.693 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCc2nccnc2C)CC1 ZINC001295482130 1063495786 /nfs/dbraw/zinc/49/57/86/1063495786.db2.gz DRHHKCKFFXUOHL-UHFFFAOYSA-N 0 3 497.047 2.930 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)OC)CC1 ZINC001295482439 1063501509 /nfs/dbraw/zinc/50/15/09/1063501509.db2.gz OFGOXOMZILBHCW-KRWDZBQOSA-N 0 3 493.450 2.733 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)OC)CC1 ZINC001295482440 1063501657 /nfs/dbraw/zinc/50/16/57/1063501657.db2.gz OFGOXOMZILBHCW-QGZVFWFLSA-N 0 3 493.450 2.733 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)c2nc(C)cs2)CC1 ZINC001295482738 1063505764 /nfs/dbraw/zinc/50/57/64/1063505764.db2.gz YYQMSPCFCDGFCV-GOSISDBHSA-N 0 3 484.674 2.843 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCCc2cccc(F)c2)CC1 ZINC001295483170 1063507007 /nfs/dbraw/zinc/50/70/07/1063507007.db2.gz CLMSEVFGPJPDPZ-JOCHJYFZSA-N 0 3 486.636 2.934 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)C(C)C)CC1 ZINC001295483407 1063507113 /nfs/dbraw/zinc/50/71/13/1063507113.db2.gz DTJZSKNLIGMXNB-UHFFFAOYSA-N 0 3 487.649 2.678 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@](C)(O)c2ccccc2)CC1 ZINC001295483777 1063508386 /nfs/dbraw/zinc/50/83/86/1063508386.db2.gz HJECACIACFLCSZ-KCWPFWIISA-N 0 3 498.672 2.808 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCc2c(C)cccc2C)CC1 ZINC001295483855 1063509164 /nfs/dbraw/zinc/50/91/64/1063509164.db2.gz JNQCYMOVUUJEES-JOCHJYFZSA-N 0 3 468.646 2.632 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CC3)n2Cc2ccccc2OC(F)F)CC1 ZINC001295484392 1063510736 /nfs/dbraw/zinc/51/07/36/1063510736.db2.gz NCDRGWVCDNBPKT-UHFFFAOYSA-N 0 3 462.545 2.796 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(CSC)cc2)CC1 ZINC001295484724 1063512502 /nfs/dbraw/zinc/51/25/02/1063512502.db2.gz QQWRQBGCFFVUDJ-UHFFFAOYSA-N 0 3 494.669 2.637 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(F)cc2)CC1 ZINC001295485390 1063513759 /nfs/dbraw/zinc/51/37/59/1063513759.db2.gz VTGNBXPRUDMVRS-UHFFFAOYSA-N 0 3 453.566 2.645 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccnc2)C(C)C)CC1 ZINC001295485528 1063514469 /nfs/dbraw/zinc/51/44/69/1063514469.db2.gz XQTKZEIOPPRQFZ-QHCPKHFHSA-N 0 3 493.660 2.504 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@](C)(O)c2cc(C)oc2C)CC1 ZINC001295490590 1063517068 /nfs/dbraw/zinc/51/70/68/1063517068.db2.gz AHZIENSOLQAYAF-VWLOTQADSA-N 0 3 474.650 2.585 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(C)nc2)CC1 ZINC001295490621 1063517125 /nfs/dbraw/zinc/51/71/25/1063517125.db2.gz BEWUJXQFQUOSFV-UHFFFAOYSA-N 0 3 475.641 2.919 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@](C)(O)C(C)C)CC1 ZINC001295491049 1063521204 /nfs/dbraw/zinc/52/12/04/1063521204.db2.gz NXUDXMHDQBNCSJ-MHZLTWQESA-N 0 3 495.672 2.679 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001295491169 1063521720 /nfs/dbraw/zinc/52/17/20/1063521720.db2.gz QEDKEPPWAZICNU-QFIPXVFZSA-N 0 3 486.636 2.814 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C)s2)CC1 ZINC001295491525 1063522391 /nfs/dbraw/zinc/52/23/91/1063522391.db2.gz SSVRJLSUMNYFMU-UHFFFAOYSA-N 0 3 467.643 2.673 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC=CO2)CC1 ZINC001295491335 1063522456 /nfs/dbraw/zinc/52/24/56/1063522456.db2.gz SMSVWDLVKQUZTA-FQEVSTJZSA-N 0 3 486.592 2.679 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CSCCS2)CC1 ZINC001295491843 1063524478 /nfs/dbraw/zinc/52/44/78/1063524478.db2.gz XCLPKHAOFQEISM-GOSISDBHSA-N 0 3 468.737 2.706 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2C[C@H]2C)CC1 ZINC001295491885 1063524834 /nfs/dbraw/zinc/52/48/34/1063524834.db2.gz YMCBDBMMXICVLD-RTWAWAEBSA-N 0 3 454.619 2.812 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(C)cc2C)CC1 ZINC001295494531 1063529333 /nfs/dbraw/zinc/52/93/33/1063529333.db2.gz QLKXQHXHNWXLTN-HSZRJFAPSA-N 0 3 468.646 2.980 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001295563493 1063596979 /nfs/dbraw/zinc/59/69/79/1063596979.db2.gz MLSHATXGUQVSRD-DBXWQHBBSA-N 0 3 477.631 2.534 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001295566367 1063599870 /nfs/dbraw/zinc/59/98/70/1063599870.db2.gz TUPMCICECGALEO-NVXWUHKLSA-N 0 3 467.039 2.522 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001295571051 1063607512 /nfs/dbraw/zinc/60/75/12/1063607512.db2.gz ZMZOBMKOZILWOC-WOJBJXKFSA-N 0 3 463.648 2.828 20 0 JFADHN CCN(C[C@@H]1CCN(c2nnc(CC3CC3)n2CCN2CCN(C)C(C)(C)C2)C1)CC(F)(F)F ZINC001295768995 1063779537 /nfs/dbraw/zinc/77/95/37/1063779537.db2.gz ZVZYRMLZZYSSKC-FQEVSTJZSA-N 0 3 485.643 2.967 20 0 JFADHN CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001291343246 1063828450 /nfs/dbraw/zinc/82/84/50/1063828450.db2.gz JDVGAUZPGFAUMC-TYPHKJRUSA-N 0 3 458.582 2.719 20 0 JFADHN CCC(=O)N[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CCN2CC=CCC2)C1 ZINC001291345637 1063839853 /nfs/dbraw/zinc/83/98/53/1063839853.db2.gz AYWWCVQGXUJMLX-NRFANRHFSA-N 0 3 452.603 2.657 20 0 JFADHN CCN(CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1)CCC(F)(F)F ZINC001295829418 1063841630 /nfs/dbraw/zinc/84/16/30/1063841630.db2.gz IKIMHEAXVVMQDG-QGZVFWFLSA-N 0 3 488.942 2.824 20 0 JFADHN CCN(CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001295834111 1063849826 /nfs/dbraw/zinc/84/98/26/1063849826.db2.gz QHVWBKLEBYSTAT-IBGZPJMESA-N 0 3 477.631 2.808 20 0 JFADHN CCN(CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)OC)CC1)CCC(F)(F)F ZINC001295834476 1063850509 /nfs/dbraw/zinc/85/05/09/1063850509.db2.gz VLPBIFCZGHUGRN-UHFFFAOYSA-N 0 3 498.506 2.837 20 0 JFADHN CCN(CCn1c(-c2cccnc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)CCC(F)(F)F ZINC001295837648 1063855461 /nfs/dbraw/zinc/85/54/61/1063855461.db2.gz ASUHADDNWJMYBL-SJORKVTESA-N 0 3 467.496 2.549 20 0 JFADHN CCN(CCn1c(C2CCC2)nnc1N1CC[C@@H](CN2CCOCC2)C1)CCC(F)(F)F ZINC001295845145 1063865530 /nfs/dbraw/zinc/86/55/30/1063865530.db2.gz JKPSBEUMKHELAR-SFHVURJKSA-N 0 3 458.573 2.978 20 0 JFADHN CC[C@@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001291361550 1063875585 /nfs/dbraw/zinc/87/55/85/1063875585.db2.gz OMFOHHGHWQUWHU-UZUQRXQVSA-N 0 3 465.545 2.866 20 0 JFADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(Cl)ccn1)C(C)C ZINC001295851151 1063875801 /nfs/dbraw/zinc/87/58/01/1063875801.db2.gz BYRMZHQBBKHBHL-INIZCTEOSA-N 0 3 455.028 2.595 20 0 JFADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(F)c1)C(C)C ZINC001295853785 1063881370 /nfs/dbraw/zinc/88/13/70/1063881370.db2.gz RYVCALQKSCTQFH-SFHVURJKSA-N 0 3 467.611 2.695 20 0 JFADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)=C(Br)C1)C(C)C ZINC001295854093 1063881991 /nfs/dbraw/zinc/88/19/91/1063881991.db2.gz UYIPLLIKZIYPQT-INIZCTEOSA-N 0 3 474.469 2.790 20 0 JFADHN CCN(CCn1c(Cc2ccccc2OC)nnc1N1CCC(S(C)(=O)=O)CC1)C(C)C ZINC001295859367 1063890356 /nfs/dbraw/zinc/89/03/56/1063890356.db2.gz OKDSVPOADHMDFP-UHFFFAOYSA-N 0 3 463.648 2.621 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)CN1CCCCC1 ZINC001295879312 1063922782 /nfs/dbraw/zinc/92/27/82/1063922782.db2.gz YDOWNRVBUXCXCD-LJQANCHMSA-N 0 3 491.658 2.709 20 0 JFADHN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001291387638 1063935781 /nfs/dbraw/zinc/93/57/81/1063935781.db2.gz NKILHXREVPWBPM-KOSHJBKYSA-N 0 3 490.052 2.535 20 0 JFADHN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001291389536 1063939718 /nfs/dbraw/zinc/93/97/18/1063939718.db2.gz MRVFQDDQZHRKMO-UQBPGWFLSA-N 0 3 474.625 2.872 20 0 JFADHN CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001291389534 1063939760 /nfs/dbraw/zinc/93/97/60/1063939760.db2.gz MRVFQDDQZHRKMO-DFBJGRDBSA-N 0 3 474.625 2.872 20 0 JFADHN CCn1cc([C@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)N(C)Cc3ccccc3)CCO2)cn1 ZINC001295896757 1063950199 /nfs/dbraw/zinc/95/01/99/1063950199.db2.gz KDQVSEHMATWWCN-NFBKMPQASA-N 0 3 494.644 2.731 20 0 JFADHN CC[C@@H](C)[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001291396761 1063952124 /nfs/dbraw/zinc/95/21/24/1063952124.db2.gz BWPUHBNHTBTDND-NTKDMRAZSA-N 0 3 450.672 2.654 20 0 JFADHN CC[C@@H](C)[C@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001291400060 1063959879 /nfs/dbraw/zinc/95/98/79/1063959879.db2.gz SRXNHUYDHDZRBJ-FQRUVTKNSA-N 0 3 486.636 2.550 20 0 JFADHN CCn1cc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)cn1 ZINC001295915302 1063967389 /nfs/dbraw/zinc/96/73/89/1063967389.db2.gz MTKNBSDCNTYMAX-IRFCIJBXSA-N 0 3 491.706 2.790 20 0 JFADHN CC[C@H](C)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)OC ZINC001291411023 1063986807 /nfs/dbraw/zinc/98/68/07/1063986807.db2.gz FMHDMBZLLCPSJM-AJSBUHFISA-N 0 3 484.645 2.758 20 0 JFADHN CCn1cc(Cn2c(COc3ccccc3OC)nnc2N2CCN(CC(C)C)CC2)cn1 ZINC001295935267 1063987288 /nfs/dbraw/zinc/98/72/88/1063987288.db2.gz XXWJDDBGAACRGD-UHFFFAOYSA-N 0 3 453.591 2.908 20 0 JFADHN CCn1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C3CCC(C)CC3)CC2)c1=O ZINC001295938306 1063989153 /nfs/dbraw/zinc/98/91/53/1063989153.db2.gz IAAMOWPEXACLMH-WQMHRJNTSA-N 0 3 486.661 2.933 20 0 JFADHN CC[C@H](C)[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1)OC ZINC001291414595 1063991389 /nfs/dbraw/zinc/99/13/89/1063991389.db2.gz ZTUCGUFRAPHLLS-TYJFDUFHSA-N 0 3 485.677 2.724 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)Nc2ccccc2)C[C@H]1C ZINC001295975516 1064019855 /nfs/dbraw/zinc/01/98/55/1064019855.db2.gz CSVKUGJLCADHSX-MOPGFXCFSA-N 0 3 476.585 2.873 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@](C)(O)CCOC)C[C@@H]1C ZINC001295975868 1064020778 /nfs/dbraw/zinc/02/07/78/1064020778.db2.gz FSFZAPKZMXKWBY-XFAGBWLFSA-N 0 3 493.052 2.568 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001295976222 1064021658 /nfs/dbraw/zinc/02/16/58/1064021658.db2.gz GRPTZJQMUHAZQP-IAGOWNOFSA-N 0 3 495.550 2.745 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2cccc(F)c2)N(C)C)C[C@H]1C ZINC001295976265 1064022073 /nfs/dbraw/zinc/02/20/73/1064022073.db2.gz HFBQOMJOAKEVTP-DXIQSLLYSA-N 0 3 471.625 2.875 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001295976841 1064022956 /nfs/dbraw/zinc/02/29/56/1064022956.db2.gz LOXPUHPNZJBXME-ZIAGYGMSSA-N 0 3 472.487 2.847 20 0 JFADHN CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)N1CCOCC1 ZINC001291458468 1064024863 /nfs/dbraw/zinc/02/48/63/1064024863.db2.gz HXAFJFWUZCHVDL-CUDBPUKSSA-N 0 3 472.682 2.765 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCNS(C)(=O)=O)C[C@H]1C ZINC001295978019 1064025456 /nfs/dbraw/zinc/02/54/56/1064025456.db2.gz JMCMGLMSAQACCB-DYXWJJEUSA-N 0 3 492.690 2.893 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1C ZINC001295977949 1064025612 /nfs/dbraw/zinc/02/56/12/1064025612.db2.gz MCNSIEKQXGGFFZ-JKSUJKDBSA-N 0 3 477.009 2.808 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)CCOC)C[C@H]1C ZINC001295979760 1064028566 /nfs/dbraw/zinc/02/85/66/1064028566.db2.gz XDTRMMBNCNXKQS-NXMSCROESA-N 0 3 461.607 2.669 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(C)c(OC)c2)C[C@@H]1C ZINC001295980170 1064029636 /nfs/dbraw/zinc/02/96/36/1064029636.db2.gz QUCIOBDPSOFPLP-VQTJNVASSA-N 0 3 454.619 2.993 20 0 JFADHN CCN(CCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C)S(C)(=O)=O ZINC001295980402 1064030112 /nfs/dbraw/zinc/03/01/12/1064030112.db2.gz YTDWOUFQPHQFOR-RBUKOAKNSA-N 0 3 478.663 2.544 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cccnc2)C[C@H]1C ZINC001295980430 1064030495 /nfs/dbraw/zinc/03/04/95/1064030495.db2.gz ZAWZZFUQHBEIFT-MOPGFXCFSA-N 0 3 468.627 2.905 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)c2cccc(OC)c2)C[C@@H]1C ZINC001295980889 1064031655 /nfs/dbraw/zinc/03/16/55/1064031655.db2.gz PYSKXPWXWOBAQX-FHWLQOOXSA-N 0 3 492.690 2.794 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCc2ccccc2)C[C@@H]1C ZINC001295981350 1064032063 /nfs/dbraw/zinc/03/20/63/1064032063.db2.gz RJPVOENBXIXXLU-UFYCRDLUSA-N 0 3 462.664 2.830 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001295981780 1064032187 /nfs/dbraw/zinc/03/21/87/1064032187.db2.gz RQLHGYWKWYXQQJ-VJANTYMQSA-N 0 3 476.588 2.805 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001295981779 1064032206 /nfs/dbraw/zinc/03/22/06/1064032206.db2.gz RQLHGYWKWYXQQJ-CADBVGFASA-N 0 3 476.588 2.805 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001295981459 1064032792 /nfs/dbraw/zinc/03/27/92/1064032792.db2.gz ACTDTPWPTCHGHR-IAGOWNOFSA-N 0 3 455.994 2.968 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001295981782 1064033202 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/nfs/dbraw/zinc/03/93/90/1064039390.db2.gz WTQIUMDBCUNFGW-ILXRZTDVSA-N 0 3 475.084 2.765 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3cccc(OC)c3)CC2)C[C@@H]1C ZINC001295983884 1064040346 /nfs/dbraw/zinc/04/03/46/1064040346.db2.gz XMZRDRGTOZXWFS-GBESFXJTSA-N 0 3 490.674 2.548 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)N2CCOCC2)C[C@@H]1C ZINC001295984096 1064040764 /nfs/dbraw/zinc/04/07/64/1064040764.db2.gz KXJUAFBWTIELQW-ZCNNSNEGSA-N 0 3 472.634 2.602 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCC(=O)N2)C[C@@H]1C ZINC001295984052 1064040809 /nfs/dbraw/zinc/04/08/09/1064040809.db2.gz KIVRTGVDJFGENU-ZMSDIMECSA-N 0 3 491.434 2.914 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccc(C)c(F)c2)C[C@@H]1C ZINC001295992682 1064047265 /nfs/dbraw/zinc/04/72/65/1064047265.db2.gz FCLZWIRBNWNIKD-ZWKOTPCHSA-N 0 3 466.565 2.532 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2COCCO2)C[C@H]1C ZINC001295992908 1064047873 /nfs/dbraw/zinc/04/78/73/1064047873.db2.gz BKEIWXIGQWKEQT-MHTWAQMVSA-N 0 3 492.665 2.727 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2Cc2ccc(OCCO)c(OC)c2)C[C@H]1C ZINC001295994228 1064050169 /nfs/dbraw/zinc/05/01/69/1064050169.db2.gz VBZIJTBJWBFACV-MOPGFXCFSA-N 0 3 466.586 2.687 20 0 JFADHN CCN(CCCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)S(C)(=O)=O ZINC001295994669 1064050595 /nfs/dbraw/zinc/05/05/95/1064050595.db2.gz VURZKUFIVWVXCQ-WOJBJXKFSA-N 0 3 462.664 2.844 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccc(COCCOC)cc2)C[C@H]1C ZINC001295998206 1064055125 /nfs/dbraw/zinc/05/51/25/1064055125.db2.gz TYVOJAYHSXMIKY-UXHICEINSA-N 0 3 465.602 2.865 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)C[C@H]1C ZINC001295998338 1064055785 /nfs/dbraw/zinc/05/57/85/1064055785.db2.gz VIFUPQCFDDSIHY-SVFBPWRDSA-N 0 3 472.609 2.589 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C[C@H]1C ZINC001296002735 1064057883 /nfs/dbraw/zinc/05/78/83/1064057883.db2.gz NSDYXNNRXZPDMM-SVFBPWRDSA-N 0 3 495.594 2.836 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccc3OC)n2CCN2CCOC(C)(C)C2)C[C@H]1C ZINC001296003317 1064058519 /nfs/dbraw/zinc/05/85/19/1064058519.db2.gz SUXYLFBYIHHJJC-NHCUHLMSSA-N 0 3 470.662 2.907 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001296003321 1064058954 /nfs/dbraw/zinc/05/89/54/1064058954.db2.gz SUXYLFBYIHHJJC-SFTDATJTSA-N 0 3 470.662 2.907 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CCn2cc(Br)cn2)C[C@@H]1C ZINC001296004342 1064059778 /nfs/dbraw/zinc/05/97/78/1064059778.db2.gz YVIKHAXLVWCHPG-DLBZAZTESA-N 0 3 473.423 2.842 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC(N3CCCC3=O)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001291508431 1064059967 /nfs/dbraw/zinc/05/99/67/1064059967.db2.gz MCNBHQLMOUNRRH-RTWAWAEBSA-N 0 3 459.683 2.656 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CC3CCCC3)n2Cc2cccc(S(=O)(=O)NC)c2)C[C@H]1C ZINC001296008388 1064062480 /nfs/dbraw/zinc/06/24/80/1064062480.db2.gz HJYKTHIEDGKPIM-RTBURBONSA-N 0 3 474.675 2.886 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCC(NC(=O)COC)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001291510949 1064062736 /nfs/dbraw/zinc/06/27/36/1064062736.db2.gz HHGLTVAATMPBOK-UTKZUKDTSA-N 0 3 460.598 2.965 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(C(N)=O)c2)C[C@@H]1C ZINC001296008838 1064062886 /nfs/dbraw/zinc/06/28/86/1064062886.db2.gz BSYOJRUAPQOBTI-ZWKOTPCHSA-N 0 3 495.653 2.530 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1C ZINC001296008853 1064062903 /nfs/dbraw/zinc/06/29/03/1064062903.db2.gz BUHCXTQUJKOPIL-IZZGNVEXSA-N 0 3 457.619 2.933 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001296009430 1064064795 /nfs/dbraw/zinc/06/47/95/1064064795.db2.gz GEUHWJUYQVNXDX-RBUKOAKNSA-N 0 3 470.618 2.579 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001296009477 1064064825 /nfs/dbraw/zinc/06/48/25/1064064825.db2.gz GSINKCPVGOMQQV-NHCUHLMSSA-N 0 3 492.690 2.721 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001296009429 1064064900 /nfs/dbraw/zinc/06/49/00/1064064900.db2.gz GEUHWJUYQVNXDX-OALUTQOASA-N 0 3 470.618 2.579 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001296009478 1064064947 /nfs/dbraw/zinc/06/49/47/1064064947.db2.gz GSINKCPVGOMQQV-RTWAWAEBSA-N 0 3 492.690 2.721 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[C@H]2COCCO2)C[C@H]1C ZINC001296009565 1064065485 /nfs/dbraw/zinc/06/54/85/1064065485.db2.gz LNYLBQVIKDUMRK-QTEQDKRBSA-N 0 3 457.619 2.796 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001296010008 1064067417 /nfs/dbraw/zinc/06/74/17/1064067417.db2.gz JQVQLAADWZVIHE-UXHICEINSA-N 0 3 474.654 2.973 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCC(Nc3cccnn3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291514644 1064068027 /nfs/dbraw/zinc/06/80/27/1064068027.db2.gz WSKHFEGCKFUUOJ-TZIWHRDSSA-N 0 3 483.665 2.605 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3ccccc3F)n2CCN2CCSCC2)C[C@H]1C ZINC001296010355 1064068500 /nfs/dbraw/zinc/06/85/00/1064068500.db2.gz BIOUQXKKSRWIGD-RTBURBONSA-N 0 3 462.639 2.964 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3ccccc3F)n2CCN2CCSCC2)C[C@@H]1C ZINC001296010353 1064068692 /nfs/dbraw/zinc/06/86/92/1064068692.db2.gz BIOUQXKKSRWIGD-RBUKOAKNSA-N 0 3 462.639 2.964 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CC3CC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C[C@@H]1C ZINC001296011245 1064070551 /nfs/dbraw/zinc/07/05/51/1064070551.db2.gz UNQAELYSLMEFDD-JENIJYKNSA-N 0 3 458.573 2.803 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2ccc(F)cc2)C[C@H]1C ZINC001296013132 1064074033 /nfs/dbraw/zinc/07/40/33/1064074033.db2.gz MHILNJZRMGEOBP-AWRULXHCSA-N 0 3 475.609 2.968 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296013592 1064074476 /nfs/dbraw/zinc/07/44/76/1064074476.db2.gz OEBRMOIGSFVZGX-PCEJQYDGSA-N 0 3 492.709 2.809 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001296014521 1064075921 /nfs/dbraw/zinc/07/59/21/1064075921.db2.gz YCIVHOHWYKHTTD-QZTJIDSGSA-N 0 3 473.622 2.671 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001296014523 1064075956 /nfs/dbraw/zinc/07/59/56/1064075956.db2.gz YCIVHOHWYKHTTD-ROUUACIJSA-N 0 3 473.622 2.671 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCCOc2cccc(OC)c2)C[C@@H]1C ZINC001296014572 1064076396 /nfs/dbraw/zinc/07/63/96/1064076396.db2.gz YJZIIUGMRBWYJD-VQTJNVASSA-N 0 3 470.618 2.797 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001296015224 1064077105 /nfs/dbraw/zinc/07/71/05/1064077105.db2.gz ZWFOXICTJOVXIO-IRFCIJBXSA-N 0 3 454.619 2.999 20 0 JFADHN CCN(CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)S(C)(=O)=O ZINC001296015310 1064077591 /nfs/dbraw/zinc/07/75/91/1064077591.db2.gz RUMUVZAVVYUVCX-UWHLTILDSA-N 0 3 498.738 2.787 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCSC2)C[C@@H]1C ZINC001296015316 1064077617 /nfs/dbraw/zinc/07/76/17/1064077617.db2.gz RVEKQQCDVVHUMX-BSRJHKFKSA-N 0 3 461.632 2.653 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCSC2)C[C@@H]1C ZINC001296015318 1064077688 /nfs/dbraw/zinc/07/76/88/1064077688.db2.gz RVEKQQCDVVHUMX-IUKKYPGJSA-N 0 3 461.632 2.653 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001291542345 1064085415 /nfs/dbraw/zinc/08/54/15/1064085415.db2.gz PWOXPZMTSWRBPY-CNNODRBYSA-N 0 3 457.671 2.867 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCc1ccc(OC)c(F)c1 ZINC001291578236 1064103195 /nfs/dbraw/zinc/10/31/95/1064103195.db2.gz CNOFNSPRICAOEQ-WIYYLYMNSA-N 0 3 472.609 2.925 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1ccnc(SC)c1 ZINC001291578569 1064103646 /nfs/dbraw/zinc/10/36/46/1064103646.db2.gz FFWHRDAYPLFQEY-HKUYNNGSSA-N 0 3 457.648 2.700 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001291580713 1064109413 /nfs/dbraw/zinc/10/94/13/1064109413.db2.gz ASCJZFPBPFVXPZ-LJQANCHMSA-N 0 3 491.681 2.839 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1CCc1cn2ccccc2n1 ZINC001291581709 1064112322 /nfs/dbraw/zinc/11/23/22/1064112322.db2.gz FDQWXLXZJUUYRZ-HXUWFJFHSA-N 0 3 466.634 2.672 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1ccccc1OC ZINC001291582766 1064114491 /nfs/dbraw/zinc/11/44/91/1064114491.db2.gz LRENVXQBXYZWIV-HXUWFJFHSA-N 0 3 454.619 2.787 20 0 JFADHN CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@H](COC)C1 ZINC001296054415 1064115483 /nfs/dbraw/zinc/11/54/83/1064115483.db2.gz AVIVJUXCKKSDIU-FCEUIQTBSA-N 0 3 470.618 2.872 20 0 JFADHN CCN1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001296056342 1064117529 /nfs/dbraw/zinc/11/75/29/1064117529.db2.gz KXSDQPBIWCDWEL-GPWHBBDMSA-N 0 3 481.626 2.784 20 0 JFADHN CCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001296057144 1064118519 /nfs/dbraw/zinc/11/85/19/1064118519.db2.gz RWVRQRZKSVAPEZ-MOPGFXCFSA-N 0 3 477.654 2.642 20 0 JFADHN CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001296057205 1064119082 /nfs/dbraw/zinc/11/90/82/1064119082.db2.gz UAJQODGGXZBFTD-OAQYLSRUSA-N 0 3 482.633 2.691 20 0 JFADHN CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(O)(Cc2ccccc2F)CC1 ZINC001296057411 1064119587 /nfs/dbraw/zinc/11/95/87/1064119587.db2.gz XXBYAHMKDXSEDF-HXUWFJFHSA-N 0 3 472.609 2.614 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291592312 1064127394 /nfs/dbraw/zinc/12/73/94/1064127394.db2.gz LMSWDYIPZHQJOT-RTWAWAEBSA-N 0 3 491.681 2.649 20 0 JFADHN CCN1CCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS(=O)CC1 ZINC001296063147 1064129276 /nfs/dbraw/zinc/12/92/76/1064129276.db2.gz VJTJBZWQXGGAIQ-OAHLLOKOSA-N 0 3 470.412 2.900 20 0 JFADHN COc1cc(C(=O)NC[C@]2(O)CCN(C)C2)ccc1OCc1ccc(Br)s1 ZINC001296072763 1064137131 /nfs/dbraw/zinc/13/71/31/1064137131.db2.gz LBYFMFSNFOYKGS-LJQANCHMSA-N 0 3 455.374 2.895 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)cc2)CC1 ZINC001296076058 1064144433 /nfs/dbraw/zinc/14/44/33/1064144433.db2.gz SIQSDSJZNQEFNR-NRFANRHFSA-N 0 3 457.598 2.756 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001296081201 1064148739 /nfs/dbraw/zinc/14/87/39/1064148739.db2.gz QPGYUQQKEKSWGP-ICSRJNTNSA-N 0 3 489.020 2.735 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001291616034 1064153184 /nfs/dbraw/zinc/15/31/84/1064153184.db2.gz WGZGZFKHACOWSJ-IBGZPJMESA-N 0 3 469.682 2.551 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCCNC(=O)c1cccc(O)c1 ZINC001291622142 1064162962 /nfs/dbraw/zinc/16/29/62/1064162962.db2.gz UOEOJFCMDVTLEH-LJQANCHMSA-N 0 3 470.618 2.618 20 0 JFADHN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC001291635622 1064184128 /nfs/dbraw/zinc/18/41/28/1064184128.db2.gz USCFNNJXUDBQKE-HOCLYGCPSA-N 0 3 452.495 2.946 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001291641081 1064190469 /nfs/dbraw/zinc/19/04/69/1064190469.db2.gz WUANVPQBDAITPS-NRFANRHFSA-N 0 3 498.672 2.856 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@H](c1ccco1)N(CC)CC ZINC001291643903 1064196477 /nfs/dbraw/zinc/19/64/77/1064196477.db2.gz MABMNHDHBGAFPL-FHWLQOOXSA-N 0 3 466.652 2.938 20 0 JFADHN CCN1CCN(C(=O)CC2CCN(c3nnc(C)n3C[C@H](c3cccc(F)c3)N(C)C)CC2)CC1 ZINC001296118960 1064202688 /nfs/dbraw/zinc/20/26/88/1064202688.db2.gz MJCXOKHXZJZSQJ-XMMPIXPASA-N 0 3 485.652 2.799 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1C[C@H](c1ccccc1)N(C)C ZINC001291652432 1064205526 /nfs/dbraw/zinc/20/55/26/1064205526.db2.gz SFWMIZYFGQEOOG-SXLOBPIMSA-N 0 3 453.591 2.567 20 0 JFADHN CC[C@H](C)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001291654312 1064206340 /nfs/dbraw/zinc/20/63/40/1064206340.db2.gz GTEMDJVSSHFTMN-GHTZIAJQSA-N 0 3 454.619 2.580 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296120225 1064208649 /nfs/dbraw/zinc/20/86/49/1064208649.db2.gz GIHCMCAUEWDJKE-SFHLNBCPSA-N 0 3 460.598 2.808 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCN(c3nc(C)c(C)s3)CC2)CC1 ZINC001296120371 1064209328 /nfs/dbraw/zinc/20/93/28/1064209328.db2.gz IFCUGVTVSZNACT-GOSISDBHSA-N 0 3 460.696 2.827 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296120337 1064209441 /nfs/dbraw/zinc/20/94/41/1064209441.db2.gz HNYITWJQNJBMIR-TXTKFYIRSA-N 0 3 456.635 2.841 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@H](OC)C2)CC1 ZINC001296120559 1064210518 /nfs/dbraw/zinc/21/05/18/1064210518.db2.gz JLZQRDAGVPVMRL-JQVVWYNYSA-N 0 3 460.598 2.808 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(Oc3cncc(Cl)n3)CC2)CC1 ZINC001296121076 1064211696 /nfs/dbraw/zinc/21/16/96/1064211696.db2.gz MRFSCGCALQTIJG-SFHVURJKSA-N 0 3 477.057 2.919 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCC(Oc3cncc(Cl)n3)CC2)CC1 ZINC001296121074 1064211810 /nfs/dbraw/zinc/21/18/10/1064211810.db2.gz MRFSCGCALQTIJG-GOSISDBHSA-N 0 3 477.057 2.919 20 0 JFADHN CC[C@H](C)c1nnc(N2CCO[C@@H](c3noc(C(C)C)n3)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001291669990 1064212782 /nfs/dbraw/zinc/21/27/82/1064212782.db2.gz NDIKMFUQZPHRBO-XUVXKRRUSA-N 0 3 474.654 2.902 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001291672382 1064214144 /nfs/dbraw/zinc/21/41/44/1064214144.db2.gz QVHVLUKGDZZUBV-AUSIDOKSSA-N 0 3 468.646 2.970 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cc(C)nc4ccccc43)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001296122894 1064215753 /nfs/dbraw/zinc/21/57/53/1064215753.db2.gz ZVXRMMPBXQMZEZ-VQTJNVASSA-N 0 3 478.645 2.528 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCC(=O)NC)CC1 ZINC001296123901 1064216092 /nfs/dbraw/zinc/21/60/92/1064216092.db2.gz DLKMIIYYEJZFSO-INIZCTEOSA-N 0 3 482.460 2.850 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296124190 1064216698 /nfs/dbraw/zinc/21/66/98/1064216698.db2.gz GCTRYIVXJWVMGA-FDFHNCONSA-N 0 3 487.668 2.656 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001296124802 1064217613 /nfs/dbraw/zinc/21/76/13/1064217613.db2.gz JDFYGJZAXQNPMJ-UXHICEINSA-N 0 3 486.661 2.992 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@@H](OCCOC)C2)CC1 ZINC001296125232 1064218293 /nfs/dbraw/zinc/21/82/93/1064218293.db2.gz LKZUGSXZNLMZQA-VQTJNVASSA-N 0 3 477.053 2.866 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296126022 1064219609 /nfs/dbraw/zinc/21/96/09/1064219609.db2.gz OQXWXVGXPSJGIJ-MSOLQXFVSA-N 0 3 477.451 2.959 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC001296126887 1064221339 /nfs/dbraw/zinc/22/13/39/1064221339.db2.gz SNQWNFIOTOKFKP-LJQANCHMSA-N 0 3 479.629 2.869 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296126850 1064221384 /nfs/dbraw/zinc/22/13/84/1064221384.db2.gz RYJIXMIUSMDOAF-TXTKFYIRSA-N 0 3 456.635 2.841 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001296127360 1064221673 /nfs/dbraw/zinc/22/16/73/1064221673.db2.gz UXZYBVLBDKKSBI-HRFSGMKKSA-N 0 3 481.689 2.970 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001296127619 1064221706 /nfs/dbraw/zinc/22/17/06/1064221706.db2.gz VODMVGSCBQAWCP-QGZVFWFLSA-N 0 3 494.015 2.652 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001296127624 1064222094 /nfs/dbraw/zinc/22/20/94/1064222094.db2.gz VQXHGYICBZJENI-FQEVSTJZSA-N 0 3 481.645 2.926 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296128046 1064222380 /nfs/dbraw/zinc/22/23/80/1064222380.db2.gz XJDOERKBFNNASU-RTWAWAEBSA-N 0 3 498.676 2.812 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001296128327 1064222544 /nfs/dbraw/zinc/22/25/44/1064222544.db2.gz YBPCJWQIYHOAEH-IRXDYDNUSA-N 0 3 494.471 2.945 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)CCOc2ccc(C)cc2)CC1 ZINC001296129607 1064222757 /nfs/dbraw/zinc/22/27/57/1064222757.db2.gz AYJPWFCPULZGOJ-FCHUYYIVSA-N 0 3 456.635 2.632 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296129955 1064223213 /nfs/dbraw/zinc/22/32/13/1064223213.db2.gz CZVULFFXBLVDHK-RBUKOAKNSA-N 0 3 461.655 2.627 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC001296130033 1064223591 /nfs/dbraw/zinc/22/35/91/1064223591.db2.gz AWWIRFKZMDDADT-NRFANRHFSA-N 0 3 499.679 2.994 20 0 JFADHN CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001296130769 1064224238 /nfs/dbraw/zinc/22/42/38/1064224238.db2.gz FTIMXEQFBUFLMR-FQEVSTJZSA-N 0 3 466.634 2.740 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296131346 1064225409 /nfs/dbraw/zinc/22/54/09/1064225409.db2.gz JTZVXRLLOYWNBE-QGZVFWFLSA-N 0 3 451.063 2.916 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC(C)C)CC1 ZINC001296131432 1064226051 /nfs/dbraw/zinc/22/60/51/1064226051.db2.gz KQLOVDNSUQPFKG-LEWJYISDSA-N 0 3 493.697 2.705 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296132074 1064228459 /nfs/dbraw/zinc/22/84/59/1064228459.db2.gz QOLPGHIPESAFCJ-SFHVURJKSA-N 0 3 490.599 2.563 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001296132433 1064229674 /nfs/dbraw/zinc/22/96/74/1064229674.db2.gz UDDJICTYQNFPDO-IFMALSPDSA-N 0 3 455.651 2.541 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296132344 1064229796 /nfs/dbraw/zinc/22/97/96/1064229796.db2.gz SMXPGNKXZKPYRG-CJFMBICVSA-N 0 3 462.683 2.667 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001296132633 1064231035 /nfs/dbraw/zinc/23/10/35/1064231035.db2.gz CGIPUOCPSBWRDX-PKTZIBPZSA-N 0 3 497.688 2.557 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296132925 1064232248 /nfs/dbraw/zinc/23/22/48/1064232248.db2.gz FABSAUUGUYIILX-FDFHNCONSA-N 0 3 456.635 2.805 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(N3CC[C@@](O)(c4cccc(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001296133186 1064232697 /nfs/dbraw/zinc/23/26/97/1064232697.db2.gz GMKVHNFFSKUSHE-DFBJGRDBSA-N 0 3 458.626 2.839 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@H]2CCOC2)CC1 ZINC001296133874 1064234891 /nfs/dbraw/zinc/23/48/91/1064234891.db2.gz LFUIVPHROTZRNH-DHIUTWEWSA-N 0 3 470.662 2.973 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@@H]2CCOC2)CC1 ZINC001296133880 1064235030 /nfs/dbraw/zinc/23/50/30/1064235030.db2.gz LFUIVPHROTZRNH-GOTSBHOMSA-N 0 3 470.662 2.973 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Nc3ccn(C)n3)nnc2-c2cc(Br)c[nH]2)CC1 ZINC001296134763 1064236537 /nfs/dbraw/zinc/23/65/37/1064236537.db2.gz PYSORDIYKBXUBZ-CQSZACIVSA-N 0 3 462.400 2.539 20 0 JFADHN CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001296134672 1064236710 /nfs/dbraw/zinc/23/67/10/1064236710.db2.gz ZMTRTGVPNBPYOX-UTKZUKDTSA-N 0 3 475.588 2.560 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(N3CCN(Cc4cnc(C)s4)CC3)nnc2C(C)(C)C)CC1 ZINC001296134926 1064237493 /nfs/dbraw/zinc/23/74/93/1064237493.db2.gz SRWWPKFJUKGMNW-IBGZPJMESA-N 0 3 474.723 2.689 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CCOC[C@H]2C)CC1 ZINC001296134984 1064237939 /nfs/dbraw/zinc/23/79/39/1064237939.db2.gz UGMUWDRCBQDADX-VQTJNVASSA-N 0 3 474.675 2.830 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccoc2)CC1 ZINC001296135203 1064238842 /nfs/dbraw/zinc/23/88/42/1064238842.db2.gz XEHYHYZRLALXCS-GOSISDBHSA-N 0 3 471.631 2.525 20 0 JFADHN CC[C@H](C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001291760865 1064242121 /nfs/dbraw/zinc/24/21/21/1064242121.db2.gz OGZCCOBQANBVND-LQWHRVPQSA-N 0 3 463.648 2.940 20 0 JFADHN CC[C@H](C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001291760913 1064242299 /nfs/dbraw/zinc/24/22/99/1064242299.db2.gz OQTOEJZBPIMLTH-FDDCHVKYSA-N 0 3 461.632 2.696 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1 ZINC001296137829 1064244326 /nfs/dbraw/zinc/24/43/26/1064244326.db2.gz QYCVLUXVLTZOMO-JUXOCIIHSA-N 0 3 488.599 2.685 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001291772828 1064256336 /nfs/dbraw/zinc/25/63/36/1064256336.db2.gz CPSVCJITDIZBCS-ZWKOTPCHSA-N 0 3 496.628 2.515 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CC2(F)F)CC1 ZINC001291772831 1064256698 /nfs/dbraw/zinc/25/66/98/1064256698.db2.gz 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JFADHN CC[C@@H](C)NC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001291796014 1064302214 /nfs/dbraw/zinc/30/22/14/1064302214.db2.gz IRIXMCWVNVZAKG-FYYLOGMGSA-N 0 3 497.688 2.863 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(C)n4)n3CC(C)(C)CCOC)C2)CC1 ZINC001296178644 1064306489 /nfs/dbraw/zinc/30/64/89/1064306489.db2.gz BRRPZNYXKYYVEN-OAQYLSRUSA-N 0 3 455.651 2.927 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(OC)c4)n3CCOC(C)(C)C)C2)CC1 ZINC001296180525 1064311363 /nfs/dbraw/zinc/31/13/63/1064311363.db2.gz NUOHPDIEBKCSQC-OAQYLSRUSA-N 0 3 456.635 2.985 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccccc4Br)n3C[C@H](C)OC)C2)CC1 ZINC001296180562 1064311986 /nfs/dbraw/zinc/31/19/86/1064311986.db2.gz NSFGDWJRUXLOFP-ROUUACIJSA-N 0 3 477.451 2.959 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccccc4Br)n3C[C@@H](C)OC)C2)CC1 ZINC001296180560 1064312018 /nfs/dbraw/zinc/31/20/18/1064312018.db2.gz NSFGDWJRUXLOFP-QZTJIDSGSA-N 0 3 477.451 2.959 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@@](C)(O)C(C)C)C2)CC1 ZINC001296180740 1064312675 /nfs/dbraw/zinc/31/26/75/1064312675.db2.gz QSKUEZKPDGECHH-AUSIDOKSSA-N 0 3 462.042 2.617 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(OC)cc4)n3CCOC(C)(C)C)C2)CC1 ZINC001296181256 1064314275 /nfs/dbraw/zinc/31/42/75/1064314275.db2.gz WBTSIDIXSJPCDN-OAQYLSRUSA-N 0 3 456.635 2.985 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(CC4CC4)n3C[C@@H](C)N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296181637 1064316234 /nfs/dbraw/zinc/31/62/34/1064316234.db2.gz AEQMEWKSKVWEFU-CTNGQTDRSA-N 0 3 475.682 2.702 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3C[C@](C)(O)CC)C2)CC1 ZINC001296181824 1064318600 /nfs/dbraw/zinc/31/86/00/1064318600.db2.gz DYVHWJBDMMMHPY-HOYKHHGWSA-N 0 3 462.589 2.524 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296190055 1064337118 /nfs/dbraw/zinc/33/71/18/1064337118.db2.gz BIHBUWHGSLZWLT-FBLLAGFSSA-N 0 3 484.689 2.553 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296190749 1064340470 /nfs/dbraw/zinc/34/04/70/1064340470.db2.gz FFKXBJODWLHZJK-PWHSHALESA-N 0 3 476.616 2.628 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(Cc3cnc(C)s3)CC2)CC1 ZINC001296191623 1064342518 /nfs/dbraw/zinc/34/25/18/1064342518.db2.gz KRIVFLUPDOMLOD-OAQYLSRUSA-N 0 3 488.750 2.837 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(N3CCCNC3=O)CC2)CC1 ZINC001296192029 1064343370 /nfs/dbraw/zinc/34/33/70/1064343370.db2.gz LLUCVXGBQRLBEA-NRFANRHFSA-N 0 3 488.725 2.524 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@H](C)C2)CC1 ZINC001296192797 1064347467 /nfs/dbraw/zinc/34/74/67/1064347467.db2.gz GPNLFARUOWHYJW-LEWJYISDSA-N 0 3 456.635 2.986 20 0 JFADHN CC[C@H](C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001291817226 1064347984 /nfs/dbraw/zinc/34/79/84/1064347984.db2.gz GPOINYAGCCZVDR-OALUTQOASA-N 0 3 490.599 2.610 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(C(N)=O)cc2)CC1 ZINC001296192875 1064347975 /nfs/dbraw/zinc/34/79/75/1064347975.db2.gz HAWBHZOVSNZQNR-REWPJTCUSA-N 0 3 483.661 2.529 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001296192900 1064348010 /nfs/dbraw/zinc/34/80/10/1064348010.db2.gz GWEOMNSFJBJSAC-DEJKCJRPSA-N 0 3 462.683 2.902 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(N3CCC[C@H](CNC(=O)C(C)C)C3)nnc2C(C)(C)C)CC1 ZINC001296193176 1064349005 /nfs/dbraw/zinc/34/90/05/1064349005.db2.gz HVOVGNZPDRLRSU-FCHUYYIVSA-N 0 3 475.726 2.838 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@H]2CSC)CC1 ZINC001296193331 1064349513 /nfs/dbraw/zinc/34/95/13/1064349513.db2.gz IIUMOPPVYJWPMP-KNQAVFIVSA-N 0 3 474.723 2.745 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296193380 1064350293 /nfs/dbraw/zinc/35/02/93/1064350293.db2.gz PBTGNFSUMVLVMV-PCCBWWKXSA-N 0 3 458.626 2.895 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296193707 1064351728 /nfs/dbraw/zinc/35/17/28/1064351728.db2.gz PEGUDNNKFUMLNZ-RBBKRZOGSA-N 0 3 489.709 2.998 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296193765 1064352538 /nfs/dbraw/zinc/35/25/38/1064352538.db2.gz QCZHXQSVHGJWQN-BWKNWUBXSA-N 0 3 455.651 2.543 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001296194374 1064355493 /nfs/dbraw/zinc/35/54/93/1064355493.db2.gz RORSAPRWGQUEJT-XMMPIXPASA-N 0 3 495.716 2.642 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(F)(F)CC2)CC1 ZINC001296194501 1064356184 /nfs/dbraw/zinc/35/61/84/1064356184.db2.gz LYJDQCBHPGXLFE-UFYCRDLUSA-N 0 3 470.609 2.511 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(N3CCN(c4nc(C)cs4)CC3)nnc2C(C)(C)C)CC1 ZINC001296194662 1064356985 /nfs/dbraw/zinc/35/69/85/1064356985.db2.gz NDAAMYRUQLKHJF-IBGZPJMESA-N 0 3 474.723 2.941 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296195609 1064361812 /nfs/dbraw/zinc/36/18/12/1064361812.db2.gz WMDQWHCNYBRSAK-OTWHNJEPSA-N 0 3 460.589 2.906 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC001296196094 1064364970 /nfs/dbraw/zinc/36/49/70/1064364970.db2.gz XCZUZDUEXNWSDH-IRFCIJBXSA-N 0 3 495.594 2.694 20 0 JFADHN CCN(c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](C)CN1CCN(CC)CC1)C(C)C ZINC001296196940 1064371084 /nfs/dbraw/zinc/37/10/84/1064371084.db2.gz WUIZRYOJLMBPOJ-FQEVSTJZSA-N 0 3 480.661 2.700 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296197003 1064371885 /nfs/dbraw/zinc/37/18/85/1064371885.db2.gz WPMCWIFZCMVKQF-OFNKIYASSA-N 0 3 470.662 2.973 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296196993 1064371951 /nfs/dbraw/zinc/37/19/51/1064371951.db2.gz XNKBHIKPUKNKEP-WOJBJXKFSA-N 0 3 475.682 2.875 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296197389 1064373471 /nfs/dbraw/zinc/37/34/71/1064373471.db2.gz XSIQJJZYVQBPLM-GOTSBHOMSA-N 0 3 470.662 2.973 20 0 JFADHN CCN1CCN(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296203326 1064381159 /nfs/dbraw/zinc/38/11/59/1064381159.db2.gz KVHZAPGDXJMHJD-SJBKTWHCSA-N 0 3 474.625 2.792 20 0 JFADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2Cc2cccs2)CC1 ZINC001296204539 1064386495 /nfs/dbraw/zinc/38/64/95/1064386495.db2.gz WGOVQFUVLGJZAN-FQEVSTJZSA-N 0 3 473.691 2.717 20 0 JFADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)CC1 ZINC001296205029 1064388724 /nfs/dbraw/zinc/38/87/24/1064388724.db2.gz QUPHCMDYVCYLPG-WATLYSKOSA-N 0 3 462.683 2.667 20 0 JFADHN CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001291831118 1064391474 /nfs/dbraw/zinc/39/14/74/1064391474.db2.gz ZPKZEPZVSNSCEG-IFMALSPDSA-N 0 3 469.678 2.915 20 0 JFADHN CCN1CCN(CCCn2c(C3CC3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001296205772 1064392014 /nfs/dbraw/zinc/39/20/14/1064392014.db2.gz YPNRVFNJINIKNM-LJQANCHMSA-N 0 3 461.655 2.534 20 0 JFADHN CCN1CCN(CCCn2c(-c3cc4ccccc4o3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 ZINC001296206165 1064393268 /nfs/dbraw/zinc/39/32/68/1064393268.db2.gz JAMKYHLRDXZGKL-IBGZPJMESA-N 0 3 488.658 2.588 20 0 JFADHN CCN(c1nnc(-c2cccc(Cl)c2)n1CCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001296207569 1064397798 /nfs/dbraw/zinc/39/77/98/1064397798.db2.gz YIACJCZEBGMGLS-NRFANRHFSA-N 0 3 495.093 2.640 20 0 JFADHN CCN(c1nnc(-c2cccc(Cl)c2)n1CCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001296207573 1064398022 /nfs/dbraw/zinc/39/80/22/1064398022.db2.gz YIACJCZEBGMGLS-OAQYLSRUSA-N 0 3 495.093 2.640 20 0 JFADHN CCN1CCN(CCCn2c(CCc3ccccc3)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296211302 1064401866 /nfs/dbraw/zinc/40/18/66/1064401866.db2.gz MFMWQTVDVQTIGX-ISKFKSNPSA-N 0 3 454.663 2.952 20 0 JFADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)CC1 ZINC001296211867 1064402800 /nfs/dbraw/zinc/40/28/00/1064402800.db2.gz QLIGBRJGAUNYFI-LJQANCHMSA-N 0 3 473.632 2.967 20 0 JFADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](c3nc(C)no3)C2)CC1 ZINC001296212381 1064403597 /nfs/dbraw/zinc/40/35/97/1064403597.db2.gz XQTLHZKHZHDYRY-HXUWFJFHSA-N 0 3 458.655 2.970 20 0 JFADHN CCN1CCN(CCCn2c(CC(C)C)nnc2N2CCCN(C(=O)c3ccccc3F)CC2)CC1 ZINC001296212076 1064403655 /nfs/dbraw/zinc/40/36/55/1064403655.db2.gz UMKYTWUHHCMHQA-UHFFFAOYSA-N 0 3 499.679 2.996 20 0 JFADHN CCN1CCN(CCCn2c(CC(C)C)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296212089 1064403714 /nfs/dbraw/zinc/40/37/14/1064403714.db2.gz UWUFREFKLKYQQW-NRFANRHFSA-N 0 3 477.698 2.998 20 0 JFADHN CCN1CCN(CCCn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC001296216029 1064421565 /nfs/dbraw/zinc/42/15/65/1064421565.db2.gz YUYOTRDOGPWQIA-NBLPZQPVSA-N 0 3 474.675 2.531 20 0 JFADHN CC[C@H](c1nnc(N2CCC(C(N)=O)CC2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291863292 1064474978 /nfs/dbraw/zinc/47/49/78/1064474978.db2.gz ODOJYYHILNSGCZ-QFIPXVFZSA-N 0 3 467.662 2.548 20 0 JFADHN CC[C@@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001291887941 1064510150 /nfs/dbraw/zinc/51/01/50/1064510150.db2.gz LJEUOCFPGBSCOV-ACIOBRDBSA-N 0 3 467.662 2.548 20 0 JFADHN CC[C@H](c1nnc(N2CCN(C(C)=O)CC2)n1C[C@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001291889228 1064514044 /nfs/dbraw/zinc/51/40/44/1064514044.db2.gz ZXNXGECHGXRWIU-RDGATRHJSA-N 0 3 481.689 2.762 20 0 JFADHN C[C@@H](NC(=O)CCC(=O)N[C@@H](C)C1=CCN(C)CC1)C(=O)c1ccc(Br)cc1 ZINC001296257217 1064522537 /nfs/dbraw/zinc/52/25/37/1064522537.db2.gz GVTNYFGYUGWCDR-LSDHHAIUSA-N 0 3 450.377 2.683 20 0 JFADHN CC[C@H](c1nnc(N2CCS(=O)CC2)n1C[C@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001291900927 1064531553 /nfs/dbraw/zinc/53/15/53/1064531553.db2.gz KIQYSRNFUQKDBK-GGAORHGYSA-N 0 3 472.703 2.662 20 0 JFADHN CN1CCN(c2ccncc2NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC001291919627 1064541246 /nfs/dbraw/zinc/54/12/46/1064541246.db2.gz MDFXDHJAGTYENV-INIZCTEOSA-N 0 3 455.563 2.533 20 0 JFADHN CCNC(=O)c1ccc(Cn2c(Cc3ccncc3)nnc2N2CCN(CC(C)C)CC2)cc1 ZINC001296272687 1064541688 /nfs/dbraw/zinc/54/16/88/1064541688.db2.gz JJJJIRHHHAWYOC-UHFFFAOYSA-N 0 3 461.614 2.840 20 0 JFADHN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)OC ZINC001291934855 1064553939 /nfs/dbraw/zinc/55/39/39/1064553939.db2.gz YSCHNGQTIPIYEO-HXUWFJFHSA-N 0 3 489.690 2.582 20 0 JFADHN CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N(C)C ZINC001291963829 1064577735 /nfs/dbraw/zinc/57/77/35/1064577735.db2.gz STMKMOKSSMFQMZ-UYAOXDASSA-N 0 3 450.653 2.663 20 0 JFADHN CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cnn(C)c1)N(C)C ZINC001291968821 1064584755 /nfs/dbraw/zinc/58/47/55/1064584755.db2.gz RWTMXENLSNTMDL-NRSPTQNISA-N 0 3 477.679 2.622 20 0 JFADHN CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)S[C@@H](C)C1)N(C)C ZINC001291969711 1064585885 /nfs/dbraw/zinc/58/58/85/1064585885.db2.gz YBCZAIKMFSJZTL-DKKFBQAASA-N 0 3 457.710 2.877 20 0 JFADHN CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)N(C)C ZINC001291973030 1064587542 /nfs/dbraw/zinc/58/75/42/1064587542.db2.gz DTYSXJLGRKTIOT-XUZZJYLKSA-N 0 3 491.706 2.521 20 0 JFADHN CCC(CC)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1)N(C)C ZINC001291976404 1064592124 /nfs/dbraw/zinc/59/21/24/1064592124.db2.gz GJRCYYQGSRPPKX-HXUWFJFHSA-N 0 3 467.611 2.597 20 0 JFADHN CCC(CC)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1)N(C)C ZINC001291976402 1064592197 /nfs/dbraw/zinc/59/21/97/1064592197.db2.gz GJRCYYQGSRPPKX-FQEVSTJZSA-N 0 3 467.611 2.597 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCC=C(C)C ZINC001292017654 1064651566 /nfs/dbraw/zinc/65/15/66/1064651566.db2.gz LMWDARKOCDEQHH-REWPJTCUSA-N 0 3 487.693 2.932 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@H]1CCn2ccnc2C1 ZINC001292019383 1064657786 /nfs/dbraw/zinc/65/77/86/1064657786.db2.gz FBMFXSIGZJSBPQ-FHWLQOOXSA-N 0 3 456.639 2.575 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC(C)=C(C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001292046699 1064711582 /nfs/dbraw/zinc/71/15/82/1064711582.db2.gz VLROKXDPASFTPE-OAQYLSRUSA-N 0 3 473.666 2.686 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001292077139 1064758648 /nfs/dbraw/zinc/75/86/48/1064758648.db2.gz WPVDIUIZWAHQSI-HFZDXXHNSA-N 0 3 481.645 2.524 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Cc3noc(C)n3)C2)n1C[C@@H]1CCCN1CC ZINC001292094430 1064784325 /nfs/dbraw/zinc/78/43/25/1064784325.db2.gz KQEQIJPHZYIHCR-QUCCMNQESA-N 0 3 472.638 2.831 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1CCOc1ncccc1F ZINC001292126418 1064875598 /nfs/dbraw/zinc/87/55/98/1064875598.db2.gz PIGCYQZNWAJLFK-UHFFFAOYSA-N 0 3 473.597 2.874 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CCN1CCC[C@H]1C ZINC001292126765 1064877561 /nfs/dbraw/zinc/87/75/61/1064877561.db2.gz TYRXZCCHJPDANJ-LJQANCHMSA-N 0 3 473.666 2.662 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3cnn(CC)c3)C2)n1CCN1CCC(C)CC1 ZINC001292145748 1064921385 /nfs/dbraw/zinc/92/13/85/1064921385.db2.gz WOWDXBREILKIDX-JOCHJYFZSA-N 0 3 486.665 2.723 20 0 JFADHN CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1)Oc1ccccc1F ZINC001292162962 1064948779 /nfs/dbraw/zinc/94/87/79/1064948779.db2.gz LQOOUBHVYCXSAM-WOJBJXKFSA-N 0 3 488.608 2.572 20 0 JFADHN CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)NC(=O)OC(C)(C)C ZINC001292172156 1064958454 /nfs/dbraw/zinc/95/84/54/1064958454.db2.gz JFHVYFAHLLYYCK-ZCNNSNEGSA-N 0 3 491.681 2.838 20 0 JFADHN CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS(=O)(=O)CC1)N1CCCC1 ZINC001292184924 1064975986 /nfs/dbraw/zinc/97/59/86/1064975986.db2.gz HOYKBNXYAQHJOQ-KRWDZBQOSA-N 0 3 468.023 2.716 20 0 JFADHN CC[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1)N1CCCC1 ZINC001292191554 1064983510 /nfs/dbraw/zinc/98/35/10/1064983510.db2.gz IDUTYRHSZPLLFW-IBGZPJMESA-N 0 3 491.658 2.850 20 0 JFADHN CC[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)OC ZINC001292212786 1065003234 /nfs/dbraw/zinc/00/32/34/1065003234.db2.gz WLZTXKYQQLQKGQ-OKZBNKHCSA-N 0 3 453.591 2.536 20 0 JFADHN CCS(=O)(=O)c1ccc(N2CCC(NC(=O)C3C[C@H](c4ccccc4)OC3=O)CC2)cc1 ZINC001292215553 1065003807 /nfs/dbraw/zinc/00/38/07/1065003807.db2.gz JQQGPAUJLMSBEP-FCHUYYIVSA-N 0 3 456.564 2.870 20 0 JFADHN CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CCCC(=O)NC)N1CCc2ccccc2C1 ZINC001292226994 1065014642 /nfs/dbraw/zinc/01/46/42/1065014642.db2.gz VCCGNSWGDXNQAU-FGZHOGPDSA-N 0 3 454.619 2.581 20 0 JFADHN CCC(O)(CC)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001292288385 1065060869 /nfs/dbraw/zinc/06/08/69/1065060869.db2.gz APRPNROEHFCRMV-QHCPKHFHSA-N 0 3 482.673 2.747 20 0 JFADHN O=C(C[C@H](n1ccnc1)C(F)(F)F)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001292309956 1065078278 /nfs/dbraw/zinc/07/82/78/1065078278.db2.gz ZYBMQLQMMZWREP-MOPGFXCFSA-N 0 3 450.509 2.832 20 0 JFADHN CC[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001292334020 1065090015 /nfs/dbraw/zinc/09/00/15/1065090015.db2.gz ZAOCSBIVUTXRAH-YZUZCNPQSA-N 0 3 490.674 2.540 20 0 JFADHN CN(C)CCn1c2cc(NC(=O)CCCC(=O)c3ccc4c(c3)OCCO4)ccc2oc1=O ZINC001292367411 1065109523 /nfs/dbraw/zinc/10/95/23/1065109523.db2.gz CXAAABWSNWDVKS-UHFFFAOYSA-N 0 3 453.495 2.919 20 0 JFADHN CCC1(Cn2c([C@H](C)OCCOC)nnc2N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)CC1 ZINC001292413984 1065148398 /nfs/dbraw/zinc/14/83/98/1065148398.db2.gz PNRGOSQXHNTZEJ-RZUBCFFCSA-N 0 3 476.666 2.571 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C)[C@H](OC)C2)N(C)C)cc1 ZINC001292455926 1065176665 /nfs/dbraw/zinc/17/66/65/1065176665.db2.gz AWHGEEDREZNOLE-KDXIVRHGSA-N 0 3 454.619 2.956 20 0 JFADHN CCc1ccc([C@@H](Cn2c(C3CC3)nnc2N2CCC(NS(=O)(=O)CC)CC2)N(C)C)cc1 ZINC001292456604 1065177895 /nfs/dbraw/zinc/17/78/95/1065177895.db2.gz GKJLSTUEOHQENG-JOCHJYFZSA-N 0 3 474.675 2.929 20 0 JFADHN CCc1ccc([C@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)C(=O)N3CCCC3)CC2)N(C)C)cc1 ZINC001292456911 1065178305 /nfs/dbraw/zinc/17/83/05/1065178305.db2.gz HPVNICTXKJBXBY-QHCPKHFHSA-N 0 3 495.672 2.538 20 0 JFADHN CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)N(C)C)cc1 ZINC001292457987 1065180846 /nfs/dbraw/zinc/18/08/46/1065180846.db2.gz MYBLRCIJFPTDPM-REWPJTCUSA-N 0 3 497.688 2.975 20 0 JFADHN CCc1ccc([C@H](Cn2c(C3CCC3)nnc2N2CCCN(S(C)(=O)=O)CC2)N(C)C)cc1 ZINC001292458906 1065183716 /nfs/dbraw/zinc/18/37/16/1065183716.db2.gz RIVFEMHTLCPJLM-QFIPXVFZSA-N 0 3 474.675 2.883 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](C)(C(=O)NC)C2)N(C)C)cc1 ZINC001292462125 1065191587 /nfs/dbraw/zinc/19/15/87/1065191587.db2.gz QZNNYCMQYYPMQP-RNLGNXJRSA-N 0 3 498.672 2.830 20 0 JFADHN CCc1ccc(-c2nnc(N3C[C@@H](C)[C@H](N4CCCN(C(C)=O)CC4)C3)n2CC(C)(C)O)cc1 ZINC001292479738 1065203677 /nfs/dbraw/zinc/20/36/77/1065203677.db2.gz TUJZQIJOTOBXCQ-AUSIDOKSSA-N 0 3 468.646 2.657 20 0 JFADHN CCc1ccc(-c2nnc(N3C[C@H](C)[C@H](N4CCCN(C(C)=O)CC4)C3)n2CCOC)cc1 ZINC001292479775 1065204204 /nfs/dbraw/zinc/20/42/04/1065204204.db2.gz UOWAIVUEKAEJDE-WMZHIEFXSA-N 0 3 454.619 2.533 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2CCCOC(F)F)cc1 ZINC001292513186 1065232232 /nfs/dbraw/zinc/23/22/32/1065232232.db2.gz ACTNIMJNRSVFIX-FQEVSTJZSA-N 0 3 476.572 2.880 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C(=O)CN(CC)CC)CC3)n2CC2(C(N)=O)CCCC2)cc1 ZINC001292515036 1065236437 /nfs/dbraw/zinc/23/64/37/1065236437.db2.gz XNHPPMJAZNZDKK-UHFFFAOYSA-N 0 3 495.672 2.544 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CCC(=O)NC(C)C)cc1 ZINC001292520427 1065245373 /nfs/dbraw/zinc/24/53/73/1065245373.db2.gz IWJUFYOJRVESGK-NRFANRHFSA-N 0 3 454.619 2.581 20 0 JFADHN C[C@H](C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001292521210 1065247290 /nfs/dbraw/zinc/24/72/90/1065247290.db2.gz DGUAEBSYJNCUNR-YYWHXJBOSA-N 0 3 458.603 2.829 20 0 JFADHN CCc1ccccc1NC(=O)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1CC ZINC001292570734 1065282364 /nfs/dbraw/zinc/28/23/64/1065282364.db2.gz RIKQCYZGBSVJJI-FQEVSTJZSA-N 0 3 467.618 2.636 20 0 JFADHN CCc1ccccc1NC(=O)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCC(C)CC1 ZINC001292575564 1065284740 /nfs/dbraw/zinc/28/47/40/1065284740.db2.gz BTJNVVBQPROUDM-UHFFFAOYSA-N 0 3 481.645 2.883 20 0 JFADHN CCc1ccccc1OCc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001292589136 1065304719 /nfs/dbraw/zinc/30/47/19/1065304719.db2.gz HYTCXLKWHVCUKJ-QNWVGRARSA-N 0 3 498.672 2.976 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001292603789 1065327246 /nfs/dbraw/zinc/32/72/46/1065327246.db2.gz NWJCEINXJGGJTE-NRFANRHFSA-N 0 3 497.688 2.537 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CCSCC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001292618463 1065354148 /nfs/dbraw/zinc/35/41/48/1065354148.db2.gz BLCYJLDAWRBQND-HXUWFJFHSA-N 0 3 458.676 2.999 20 0 JFADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001292634349 1065372357 /nfs/dbraw/zinc/37/23/57/1065372357.db2.gz CABBNAXHYCCBMK-OAQYLSRUSA-N 0 3 458.603 2.652 20 0 JFADHN CN(C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC001292636182 1065374077 /nfs/dbraw/zinc/37/40/77/1065374077.db2.gz RABCDIPTOSEPCI-RDTXWAMCSA-N 0 3 455.386 2.723 20 0 JFADHN CCc1nc(CN(C)c2nnc(Cc3ccncc3)n2CCN2CCN(C)C(C)(C)C2)cs1 ZINC001292732921 1065494735 /nfs/dbraw/zinc/49/47/35/1065494735.db2.gz MFTWCXDNOOBSPC-UHFFFAOYSA-N 0 3 468.675 2.945 20 0 JFADHN CCc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001292813824 1065564739 /nfs/dbraw/zinc/56/47/39/1065564739.db2.gz RDYNBYQQNMDINU-UHFFFAOYSA-N 0 3 463.671 2.702 20 0 JFADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCCc1cc(OC)ccc1OC ZINC001292892228 1065589578 /nfs/dbraw/zinc/58/95/78/1065589578.db2.gz BDFUZNJFXMCPNR-GBXCKJPGSA-N 0 3 498.672 2.869 20 0 JFADHN CCc1nnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001292907485 1065599035 /nfs/dbraw/zinc/59/90/35/1065599035.db2.gz SQGFJBVPIZXAQB-BVSLBCMMSA-N 0 3 454.619 2.750 20 0 JFADHN CCc1nnc(N2CCC(c3ccc(O)cc3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001292943303 1065628442 /nfs/dbraw/zinc/62/84/42/1065628442.db2.gz MPGCNLSNPSHUTG-QFIPXVFZSA-N 0 3 454.619 2.873 20 0 JFADHN CCc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1CCCN1CCN(CC)CC1 ZINC001292950601 1065630731 /nfs/dbraw/zinc/63/07/31/1065630731.db2.gz GABDEEGXOZBYPH-UHFFFAOYSA-N 0 3 459.683 2.533 20 0 JFADHN CCN1CCN(C[C@H](C)CNC(=O)CSc2nc3ccccc3nc2N2CCCC2)CC1 ZINC001292959485 1065637954 /nfs/dbraw/zinc/63/79/54/1065637954.db2.gz YKHGMIMQALUYJH-LJQANCHMSA-N 0 3 456.660 2.712 20 0 JFADHN CCc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001292961022 1065640466 /nfs/dbraw/zinc/64/04/66/1065640466.db2.gz QGBFKJVYNNXJJG-SFHVURJKSA-N 0 3 450.628 2.645 20 0 JFADHN CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1CCCN1CCN(CC)CC1 ZINC001292978713 1065659773 /nfs/dbraw/zinc/65/97/73/1065659773.db2.gz VWBWHSYERAURRP-UHFFFAOYSA-N 0 3 473.691 2.637 20 0 JFADHN CCc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001292979550 1065661464 /nfs/dbraw/zinc/66/14/64/1065661464.db2.gz WZEXANONRJYSDJ-FQEVSTJZSA-N 0 3 471.616 2.720 20 0 JFADHN CCc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001292991109 1065677664 /nfs/dbraw/zinc/67/76/64/1065677664.db2.gz HONPKQZLMACWCE-QHCPKHFHSA-N 0 3 493.612 2.694 20 0 JFADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1cscc1C(F)(F)F ZINC001293086944 1065736352 /nfs/dbraw/zinc/73/63/52/1065736352.db2.gz QUAOPMAOMGEBBM-UHFFFAOYSA-N 0 3 456.538 2.714 20 0 JFADHN CCc1nnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001293109979 1065755399 /nfs/dbraw/zinc/75/53/99/1065755399.db2.gz YTEQOEFJIIWRJN-NRFANRHFSA-N 0 3 483.709 2.663 20 0 JFADHN CCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC001293130981 1065782648 /nfs/dbraw/zinc/78/26/48/1065782648.db2.gz NXNALVREVHSXRY-PZJWPPBQSA-N 0 3 454.619 2.576 20 0 JFADHN CCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 ZINC001293130983 1065782786 /nfs/dbraw/zinc/78/27/86/1065782786.db2.gz NXNALVREVHSXRY-TZIWHRDSSA-N 0 3 454.619 2.576 20 0 JFADHN CCc1nnc(N2CCN(CC3CCOCC3)CC2)n1CCN(CC)C(=O)OC(C)(C)C ZINC001293131998 1065784629 /nfs/dbraw/zinc/78/46/29/1065784629.db2.gz SVVUAGCFOXCMMC-UHFFFAOYSA-N 0 3 450.628 2.646 20 0 JFADHN CCc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1Cc1ncccc1N(C)C ZINC001293132439 1065784997 /nfs/dbraw/zinc/78/49/97/1065784997.db2.gz XNFSTOIDMSIHNR-UHFFFAOYSA-N 0 3 462.646 2.604 20 0 JFADHN CCc1noc([C@H](C)N2CCN(c3nnc(C)n3C[C@H](c3cccc(F)c3)N(C)C)CC2)n1 ZINC001293186579 1065811860 /nfs/dbraw/zinc/81/18/60/1065811860.db2.gz WYULJQIOUJUFBU-OXJNMPFZSA-N 0 3 456.570 2.857 20 0 JFADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(I)nn1C ZINC001293285920 1065933863 /nfs/dbraw/zinc/93/38/63/1065933863.db2.gz WNLUGNNIBITNOO-HNNXBMFYSA-N 0 3 453.328 2.546 20 0 JFADHN CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)CN2CCN(CC)CC2)CCS1 ZINC001293508848 1066033198 /nfs/dbraw/zinc/03/31/98/1066033198.db2.gz FTBMBZGQJSBAIJ-WOJBJXKFSA-N 0 3 486.690 2.531 20 0 JFADHN CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCN2CCc3ccccc3C2)C[C@H](C)O1 ZINC001293511366 1066037536 /nfs/dbraw/zinc/03/75/36/1066037536.db2.gz VUNBYIHAQXBXNV-UGKGYDQZSA-N 0 3 454.619 2.868 20 0 JFADHN CC[C@H]1CN(c2nnc([C@H](C)OCCOC)n2CC2(N3CCSCC3)CCCC2)CCO1 ZINC001293525852 1066046793 /nfs/dbraw/zinc/04/67/93/1066046793.db2.gz QVZHTYMDIYQZHL-PMACEKPBSA-N 0 3 467.680 2.979 20 0 JFADHN CC[C@@H]1CN(c2nnc([C@H](C)OCCOC)n2CC2(N3CCSCC3)CCCC2)CCO1 ZINC001293525854 1066047041 /nfs/dbraw/zinc/04/70/41/1066047041.db2.gz QVZHTYMDIYQZHL-VQTJNVASSA-N 0 3 467.680 2.979 20 0 JFADHN CC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCN(C)C(C)(C)C2)CCS1 ZINC001293531128 1066051071 /nfs/dbraw/zinc/05/10/71/1066051071.db2.gz KQSQIUXPXWCHOR-YKSBVNFPSA-N 0 3 480.723 2.677 20 0 JFADHN CC[C@@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)N2CCN(CC)CC2)C[C@H](C)O1 ZINC001293540123 1066059203 /nfs/dbraw/zinc/05/92/03/1066059203.db2.gz LXEXICBVLCOJCF-RZUBCFFCSA-N 0 3 486.661 2.992 20 0 JFADHN CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCOCC2(C)C)CCN1CCOC ZINC001293556358 1066070824 /nfs/dbraw/zinc/07/08/24/1066070824.db2.gz HYPOEPQHRZTHLP-QFIPXVFZSA-N 0 3 486.661 2.612 20 0 JFADHN CC/C=C/Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001293668552 1066170854 /nfs/dbraw/zinc/17/08/54/1066170854.db2.gz YYOTVTDUDPDWEN-VOTSOKGWSA-N 0 3 498.628 2.682 20 0 JFADHN CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001293744107 1066212711 /nfs/dbraw/zinc/21/27/11/1066212711.db2.gz VXTWBDOUHLKNED-YADHBBJMSA-N 0 3 497.688 2.865 20 0 JFADHN CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001293822514 1066330667 /nfs/dbraw/zinc/33/06/67/1066330667.db2.gz VALQIDBXOKXZLE-CZZAQMAHSA-N 0 3 483.661 2.579 20 0 JFADHN CCC[C@@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(C)C)CC1 ZINC001293823162 1066331666 /nfs/dbraw/zinc/33/16/66/1066331666.db2.gz PGOTUNRJQKPPMB-RUZDIDTESA-N 0 3 470.666 2.781 20 0 JFADHN CCC[C@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001293835503 1066339914 /nfs/dbraw/zinc/33/99/14/1066339914.db2.gz KXAOJVILEAJDPY-CUNXSJBXSA-N 0 3 498.672 2.768 20 0 JFADHN CCC[C@@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001293837286 1066342284 /nfs/dbraw/zinc/34/22/84/1066342284.db2.gz SIWOAQYMDWQZQJ-YIXXDRMTSA-N 0 3 498.672 2.768 20 0 JFADHN COc1cc(CCc2cc(NC(=O)[C@@]3(O)CCN(Cc4ccccc4)C3)n[nH]2)cc(OC)c1 ZINC001293886535 1066389743 /nfs/dbraw/zinc/38/97/43/1066389743.db2.gz IPGNQGXLCRHNJZ-RUZDIDTESA-N 0 3 450.539 2.788 20 0 JFADHN CCC[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N(C)C ZINC001293920386 1066400699 /nfs/dbraw/zinc/40/06/99/1066400699.db2.gz AOUQJAGAIZVDPW-RCCFBDPRSA-N 0 3 484.692 2.600 20 0 JFADHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCN2CC)C1 ZINC001293930573 1066409375 /nfs/dbraw/zinc/40/93/75/1066409375.db2.gz CTFXRFYFLALXSC-PWRODBHTSA-N 0 3 475.682 2.812 20 0 JFADHN CCC[C@H]1CN(c2nnc(C(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)CCN1CCOC ZINC001294058528 1066531319 /nfs/dbraw/zinc/53/13/19/1066531319.db2.gz RGFSVZZVVLWGHR-OALUTQOASA-N 0 3 476.588 2.602 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2NC(=O)CC2(C)C)CCN1CCOC ZINC001294068729 1066539138 /nfs/dbraw/zinc/53/91/38/1066539138.db2.gz XDWJHOKOPVUWDG-OALUTQOASA-N 0 3 490.052 2.845 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCSC2)CCN1CCOC ZINC001294074360 1066543396 /nfs/dbraw/zinc/54/33/96/1066543396.db2.gz RMEKSDJIEPGPKT-YADARESESA-N 0 3 475.659 2.759 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2C[C@]2(OC)CCOC2)CCN1CCOC ZINC001294074583 1066543840 /nfs/dbraw/zinc/54/38/40/1066543840.db2.gz TZDFAYXOLVONJK-YADARESESA-N 0 3 461.582 2.827 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(N)=O)cc2)CCN1CCOC ZINC001294075078 1066544087 /nfs/dbraw/zinc/54/40/87/1066544087.db2.gz XPLYVLVZQGGGRO-OAQYLSRUSA-N 0 3 480.617 2.760 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(Cl)nc2)CCN1CCOC ZINC001294075807 1066544971 /nfs/dbraw/zinc/54/49/71/1066544971.db2.gz CFVLMVBRGKKGRJ-GOSISDBHSA-N 0 3 456.982 2.769 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC(=O)Nc2c(C)cccc2C)CCN1CCOC ZINC001294076296 1066544996 /nfs/dbraw/zinc/54/49/96/1066544996.db2.gz HLZQSBHAHIPJGR-QFIPXVFZSA-N 0 3 494.644 2.871 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(Cl)nc2)CCN1CCOC ZINC001294075808 1066545047 /nfs/dbraw/zinc/54/50/47/1066545047.db2.gz CFVLMVBRGKKGRJ-SFHVURJKSA-N 0 3 456.982 2.769 20 0 JFADHN CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2cnccc2OC)CCN1CCOC ZINC001294082431 1066551543 /nfs/dbraw/zinc/55/15/43/1066551543.db2.gz REKFVFBIBVNCHH-PZJWPPBQSA-N 0 3 458.607 2.561 20 0 JFADHN CCC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2cnccc2OC)CCN1CCOC ZINC001294082429 1066551591 /nfs/dbraw/zinc/55/15/91/1066551591.db2.gz REKFVFBIBVNCHH-CTNGQTDRSA-N 0 3 458.607 2.561 20 0 JFADHN CCC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001294092057 1066563050 /nfs/dbraw/zinc/56/30/50/1066563050.db2.gz SVSBUKKJVBJAPL-JTHBVZDNSA-N 0 3 486.636 2.956 20 0 JFADHN F[C@]1(N2CC[C@@H]3NCCO[C@H]3C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164390422 718823213 /nfs/dbraw/zinc/82/32/13/718823213.db2.gz OMYSSCQDAAIMOQ-FIKGOQFSSA-N 0 3 452.361 2.984 20 0 JFADHN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CC[C@@H]4NCCO[C@H]4C3)c2c1C ZINC001164391077 718824626 /nfs/dbraw/zinc/82/46/26/718824626.db2.gz SMSAHWAMWKPART-IRXDYDNUSA-N 0 3 459.616 2.729 20 0 JFADHN CN(C)C(=O)CN1CC[C@@]2(CN(c3ccc(CN4CCCC4)cn3)C[C@@H]2c2ccccc2)C1=O ZINC001164632991 719143361 /nfs/dbraw/zinc/14/33/61/719143361.db2.gz QSNBPZLTWUHUCE-KCWPFWIISA-N 0 3 461.610 2.588 20 0 JFADHN CN(C)C(=O)CN1CC[C@@]2(CN(c3ccc(CN(C)C4CC4)cn3)C[C@@H]2c2ccccc2)C1=O ZINC001164635948 719144026 /nfs/dbraw/zinc/14/40/26/719144026.db2.gz XSEVHCNBKTZTAN-KCWPFWIISA-N 0 3 461.610 2.587 20 0 JFADHN CN(Cc1ccc(N2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)nc1)C1CC1 ZINC001164691355 719779215 /nfs/dbraw/zinc/77/92/15/719779215.db2.gz NQCKJFHOCJSXNZ-UHFFFAOYSA-N 0 3 456.612 2.976 20 0 JFADHN COC[C@H]1CN(CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)C2 ZINC001164813263 720204806 /nfs/dbraw/zinc/20/48/06/720204806.db2.gz NXEZKSXZYXSWGA-APWZRJJASA-N 0 3 463.978 2.868 20 0 JFADHN Cc1nc(CN2CCN(C)C3(CCN(c4ccc(CN(C)C5CC5)cn4)CC3)C2=O)cs1 ZINC001164826943 720380469 /nfs/dbraw/zinc/38/04/69/720380469.db2.gz YXLIKVPZFBGKML-UHFFFAOYSA-N 0 3 454.644 2.754 20 0 JFADHN Clc1nc2c(ncn2Cc2ccccc2)c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740076 720663288 /nfs/dbraw/zinc/66/32/88/720663288.db2.gz PNTXAALTZSPVTC-ROUUACIJSA-N 0 3 462.945 2.660 20 0 JFADHN CCOC(=O)c1ccc2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164737480 720751478 /nfs/dbraw/zinc/75/14/78/720751478.db2.gz BVUDTDBCTXSXIA-HZPDHXFCSA-N 0 3 454.918 2.592 20 0 JFADHN c1ccc(CN2CCc3ncnc(N4CCN5C[C@H](OCc6cccnc6)C[C@@H]5C4)c3C2)cc1 ZINC001164868629 721059194 /nfs/dbraw/zinc/05/91/94/721059194.db2.gz OVAJASQLBKQOJP-DNQXCXABSA-N 0 3 456.594 2.910 20 0 JFADHN Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001164766445 721084203 /nfs/dbraw/zinc/08/42/03/721084203.db2.gz KHHZGYWSSHVMNN-SFTDATJTSA-N 0 3 491.621 2.669 20 0 JFADHN CC[C@@H]1C(=O)N(C)c2cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2N1C1CCCC1 ZINC001164867339 721087587 /nfs/dbraw/zinc/08/75/87/721087587.db2.gz YDBQQKCSMPWVLX-RJGXRXQPSA-N 0 3 491.640 2.855 20 0 JFADHN Fc1ccccc1N1CCN(c2cc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)ncn2)CC1 ZINC001164880938 721157008 /nfs/dbraw/zinc/15/70/08/721157008.db2.gz XWUSEELUHWDTOH-XZOQPEGZSA-N 0 3 489.599 2.817 20 0 JFADHN c1ccc(N2CCN(c3cc(N4CCN5C[C@H](OCc6cccnc6)C[C@H]5C4)ncn3)CC2)cc1 ZINC001164875529 721167646 /nfs/dbraw/zinc/16/76/46/721167646.db2.gz LUSLGFPNYPISEO-LOSJGSFVSA-N 0 3 471.609 2.678 20 0 JFADHN COc1ccc(CN(C)c2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164879861 721174945 /nfs/dbraw/zinc/17/49/45/721174945.db2.gz UUDZPRNOMXUTRG-ISKFKSNPSA-N 0 3 460.582 2.996 20 0 JFADHN COc1ccc(CN(C)c2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164879862 721175404 /nfs/dbraw/zinc/17/54/04/721175404.db2.gz UUDZPRNOMXUTRG-LADGPHEKSA-N 0 3 460.582 2.996 20 0 JFADHN Cn1cc(CN2CC[C@@H]3CN(c4ncc(NC(=O)OC(C)(C)C)c5nc[nH]c54)C[C@@H]3C2)cn1 ZINC001164770946 721188197 /nfs/dbraw/zinc/18/81/97/721188197.db2.gz PGMIKCRWHGRZGT-SJORKVTESA-N 0 3 452.563 2.997 20 0 JFADHN COc1cc2nc(C)nc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2cc1OC ZINC001164887127 721412589 /nfs/dbraw/zinc/41/25/89/721412589.db2.gz LBQIIASIWTYONG-DFBJGRDBSA-N 0 3 455.603 2.721 20 0 JFADHN COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164897351 721427202 /nfs/dbraw/zinc/42/72/02/721427202.db2.gz SZDXFTBMEUYNMV-QYSIVFCQSA-N 0 3 453.587 2.515 20 0 JFADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C3)O2)CC1 ZINC001164888684 721438746 /nfs/dbraw/zinc/43/87/46/721438746.db2.gz AIQGILWBPIBQFN-QRWLVFNGSA-N 0 3 454.953 2.922 20 0 JFADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)C3)O2)CC1 ZINC001164898419 721442249 /nfs/dbraw/zinc/44/22/49/721442249.db2.gz VYZNTDVKFQFCSR-LBNVMWSVSA-N 0 3 491.684 2.569 20 0 JFADHN COc1ccc(CN(C)c2ccnc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)n2)cc1 ZINC001164891583 721445580 /nfs/dbraw/zinc/44/55/80/721445580.db2.gz HBONGOYWEXIJSW-IGKIAQTJSA-N 0 3 480.657 2.887 20 0 JFADHN COc1ccc(CN(C)c2ccnc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)n2)cc1 ZINC001164891585 721445784 /nfs/dbraw/zinc/44/57/84/721445784.db2.gz HBONGOYWEXIJSW-SHQCIBLASA-N 0 3 480.657 2.887 20 0 JFADHN COC(=O)c1cc2c(nc(Cl)nc2N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1C ZINC001164906603 721551262 /nfs/dbraw/zinc/55/12/62/721551262.db2.gz KFAHIRZPLDXBDD-ZBFHGGJFSA-N 0 3 459.909 2.889 20 0 JFADHN CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)C1 ZINC001164907192 721555313 /nfs/dbraw/zinc/55/53/13/721555313.db2.gz MOPGIFZBZZAAKA-CBQOVEMMSA-N 0 3 469.561 2.737 20 0 JFADHN CC(C)CCNS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164905313 721556235 /nfs/dbraw/zinc/55/62/35/721556235.db2.gz GPZDICCDHXSRTE-TZIWHRDSSA-N 0 3 462.591 2.887 20 0 JFADHN O=C(c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1)N1CCOCC1 ZINC001164907082 721585850 /nfs/dbraw/zinc/58/58/50/721585850.db2.gz RANAVRLOSOOOBZ-QHCPKHFHSA-N 0 3 457.525 2.687 20 0 JFADHN CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC001164931012 721883952 /nfs/dbraw/zinc/88/39/52/721883952.db2.gz DZHOCZZUTQRIAP-MOPGFXCFSA-N 0 3 467.998 2.890 20 0 JFADHN CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC001164931012 721883953 /nfs/dbraw/zinc/88/39/53/721883953.db2.gz DZHOCZZUTQRIAP-MOPGFXCFSA-N 0 3 467.998 2.890 20 0 JFADHN CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nn2)C1 ZINC001164961695 722059736 /nfs/dbraw/zinc/05/97/36/722059736.db2.gz OHGROZKYGLIAFN-HSZRJFAPSA-N 0 3 494.640 2.770 20 0 JFADHN CCOC(=O)c1cnc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164977283 722101455 /nfs/dbraw/zinc/10/14/55/722101455.db2.gz FRRQOTDMBAQOOP-SJLPKXTDSA-N 0 3 481.931 2.974 20 0 JFADHN NC(=O)c1ccc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164976476 722101636 /nfs/dbraw/zinc/10/16/36/722101636.db2.gz DJRZSDBFNLCQJA-RDJZCZTQSA-N 0 3 451.905 2.501 20 0 JFADHN CCOC(=O)c1cnc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164977285 722101659 /nfs/dbraw/zinc/10/16/59/722101659.db2.gz FRRQOTDMBAQOOP-WMZOPIPTSA-N 0 3 481.931 2.974 20 0 JFADHN Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982695 722125184 /nfs/dbraw/zinc/12/51/84/722125184.db2.gz XSOPVADRLWCLLK-MSOLQXFVSA-N 0 3 479.412 2.742 20 0 JFADHN CC(=O)Oc1cc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2cc1OC(C)=O ZINC001164981154 722132576 /nfs/dbraw/zinc/13/25/76/722132576.db2.gz ORFVQPLJKBPFJL-NLFFAJNJSA-N 0 3 491.548 2.603 20 0 JFADHN CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164976078 722143605 /nfs/dbraw/zinc/14/36/05/722143605.db2.gz GZEWJAAICWPOKU-RBBKRZOGSA-N 0 3 473.643 2.671 20 0 JFADHN CS(=O)(=O)c1cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164973012 722158915 /nfs/dbraw/zinc/15/89/15/722158915.db2.gz JXLPUHJPQMHYJG-AEFFLSMTSA-N 0 3 486.972 2.806 20 0 JFADHN Clc1nnc(Cl)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1N1CCOCC1 ZINC001164973186 722158925 /nfs/dbraw/zinc/15/89/25/722158925.db2.gz LRJHFYDLCRUHRF-ZWKOTPCHSA-N 0 3 479.412 2.742 20 0 JFADHN CS(=O)(=O)c1cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164973013 722159097 /nfs/dbraw/zinc/15/90/97/722159097.db2.gz JXLPUHJPQMHYJG-FUHWJXTLSA-N 0 3 486.972 2.806 20 0 JFADHN CN1CCN(c2ncnc3c2CCN(c2ccc4c(n2)CCN(Cc2ccccc2)C4)CC3)CC1 ZINC001164998152 722232012 /nfs/dbraw/zinc/23/20/12/722232012.db2.gz YTOMSAUZWNHLGV-UHFFFAOYSA-N 0 3 469.637 2.787 20 0 JFADHN CN(CCCC(=O)N(c1ccccc1)C1CCN(C)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC001264621829 1059629567 /nfs/dbraw/zinc/62/95/67/1059629567.db2.gz NJFYHSYTLKFEFO-UHFFFAOYSA-N 0 3 454.596 2.975 20 0 JFADHN CN1CCN(c2ccncc2NC(=O)c2cc(I)c(F)cc2F)CC1 ZINC001264759143 1059665973 /nfs/dbraw/zinc/66/59/73/1059665973.db2.gz NBSCITBEVONSLO-UHFFFAOYSA-N 0 3 458.250 2.969 20 0 JFADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@@H](F)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc21 ZINC001264843108 1059703248 /nfs/dbraw/zinc/70/32/48/1059703248.db2.gz GBEVUCOCZJAWRX-KSSFIOAISA-N 0 3 450.511 2.690 20 0 JFADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1 ZINC001264985943 1059745520 /nfs/dbraw/zinc/74/55/20/1059745520.db2.gz UBLYPXSDKYGWOJ-KRWDZBQOSA-N 0 3 451.493 2.772 20 0 JFADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCOC(=O)CNC(=O)C(C)(C)C ZINC001264986069 1059746086 /nfs/dbraw/zinc/74/60/86/1059746086.db2.gz YDCWQAPEEDTBOK-UHFFFAOYSA-N 0 3 459.509 2.691 20 0 JFADHN CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC001265066498 1059761061 /nfs/dbraw/zinc/76/10/61/1059761061.db2.gz QTUDKXJBARBPRA-IBGZPJMESA-N 0 3 453.624 2.942 20 0 JFADHN CN(C(=O)c1ccc(NC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)cc1)[C@@H]1CCCN(C)C1 ZINC001265246723 1059804888 /nfs/dbraw/zinc/80/48/88/1059804888.db2.gz DECHTXLXYZGQEH-GOSISDBHSA-N 0 3 453.543 2.850 20 0 JFADHN CN(C(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1)[C@@H]1CCCN(C)C1 ZINC001265247166 1059805962 /nfs/dbraw/zinc/80/59/62/1059805962.db2.gz LPEQLLWMIYWCPW-IFMALSPDSA-N 0 3 455.603 2.719 20 0 JFADHN CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC(=O)N(CCOc4ccccc4)C3)cc2)CC1 ZINC001265423745 1059855868 /nfs/dbraw/zinc/85/58/68/1059855868.db2.gz XKOMFAWJJVADDR-JOCHJYFZSA-N 0 3 450.583 2.627 20 0 JFADHN CN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001265828751 1059930917 /nfs/dbraw/zinc/93/09/17/1059930917.db2.gz SSBHSABQQKSOIJ-OAQYLSRUSA-N 0 3 458.628 2.936 20 0 JFADHN CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H]2CCN2C2CCCCC2)ccc1Br ZINC001279577375 1059984799 /nfs/dbraw/zinc/98/47/99/1059984799.db2.gz HLFDUHZNQWRLEH-MRXNPFEDSA-N 0 3 458.422 2.836 20 0 JFADHN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)ccc1C ZINC001279601637 1059985724 /nfs/dbraw/zinc/98/57/24/1059985724.db2.gz QRXKTPQSZUOFOH-HXUWFJFHSA-N 0 3 451.633 2.741 20 0 JFADHN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)ccc1C ZINC001279601636 1059985923 /nfs/dbraw/zinc/98/59/23/1059985923.db2.gz QRXKTPQSZUOFOH-FQEVSTJZSA-N 0 3 451.633 2.741 20 0 JFADHN C=Cc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCC3)CC2)cc1 ZINC001286649577 1060765608 /nfs/dbraw/zinc/76/56/08/1060765608.db2.gz JGOWMWYUBKNOBH-LJQANCHMSA-N 0 3 472.659 2.839 20 0 JFADHN CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCCOC3)n2CCN(C)Cc2ccccc2)C1 ZINC001286850647 1061178493 /nfs/dbraw/zinc/17/84/93/1061178493.db2.gz PQZTZFODFIJQSZ-DHIUTWEWSA-N 0 3 454.619 2.609 20 0 JFADHN Cc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCNS(=O)(=O)c2ccccc2)o1 ZINC001289599648 1061243191 /nfs/dbraw/zinc/24/31/91/1061243191.db2.gz CHZNOSZGXZPGCU-UHFFFAOYSA-N 0 3 472.615 2.603 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(Cc4cccnc4)n3CCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286868900 1061259083 /nfs/dbraw/zinc/25/90/83/1061259083.db2.gz CHXOWLDTMVOEPF-DHLKQENFSA-N 0 3 497.688 2.706 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cnccn4)n3CCCC(C)C)C[C@H]2C)CC1 ZINC001286870245 1061264977 /nfs/dbraw/zinc/26/49/77/1061264977.db2.gz IIXXTLLSSLMFLA-KNQAVFIVSA-N 0 3 454.623 2.550 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc[nH]4)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286870831 1061268078 /nfs/dbraw/zinc/26/80/78/1061268078.db2.gz KQXXABDSYKIAJG-NZQKXSOJSA-N 0 3 471.650 2.715 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc[nH]4)n3CCCOCC(C)C)C[C@H]2C)CC1 ZINC001286870830 1061268321 /nfs/dbraw/zinc/26/83/21/1061268321.db2.gz KQXXABDSYKIAJG-NFBKMPQASA-N 0 3 471.650 2.715 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc([C@@H]4CCOC4)n3CCSCC(C)C)C[C@@H]2C)CC1 ZINC001286871101 1061269294 /nfs/dbraw/zinc/26/92/94/1061269294.db2.gz LSJHOUULSFXBSW-KSEOMHKRSA-N 0 3 478.707 2.550 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc([C@H]4CCOC4)n3CCSCC(C)C)C[C@H]2C)CC1 ZINC001286870915 1061269460 /nfs/dbraw/zinc/26/94/60/1061269460.db2.gz LSJHOUULSFXBSW-BAGYTPMASA-N 0 3 478.707 2.550 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC4CC4)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286871812 1061275418 /nfs/dbraw/zinc/27/54/18/1061275418.db2.gz QCHPTFBKVMCBIQ-REWPJTCUSA-N 0 3 460.667 2.672 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC4CC4)n3CCCOCC(C)C)C[C@H]2C)CC1 ZINC001286871811 1061275840 /nfs/dbraw/zinc/27/58/40/1061275840.db2.gz QCHPTFBKVMCBIQ-OFNKIYASSA-N 0 3 460.667 2.672 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccc(C)o4)n3CCCOCC(F)F)C[C@H]2C)CC1 ZINC001286872144 1061276686 /nfs/dbraw/zinc/27/66/86/1061276686.db2.gz SITBMRXEDXFZIT-XLIONFOSSA-N 0 3 494.587 2.897 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccn4C)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286872178 1061277229 /nfs/dbraw/zinc/27/72/29/1061277229.db2.gz SVIDOTXBKIMTNZ-XUZZJYLKSA-N 0 3 485.677 2.725 20 0 JFADHN CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCN(C)C(C)(C)C2)[C@@H](C)C1 ZINC001286883762 1061315285 /nfs/dbraw/zinc/31/52/85/1061315285.db2.gz PIZKCRUDLVOUBD-QFIPXVFZSA-N 0 3 497.688 2.557 20 0 JFADHN Cc1ccc(F)c(CN(C)c2nnc([C@H]3CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001289706918 1061317562 /nfs/dbraw/zinc/31/75/62/1061317562.db2.gz ZHIZXLKZTRFUOZ-SIKLNZKXSA-N 0 3 472.609 2.809 20 0 JFADHN Cc1ccc(F)c(CN(C)c2nnc([C@@H]3CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC001289706916 1061317688 /nfs/dbraw/zinc/31/76/88/1061317688.db2.gz ZHIZXLKZTRFUOZ-KNQAVFIVSA-N 0 3 472.609 2.809 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCOC3)n2C[C@H]2CCCN2CCCO)cc1C ZINC001289725689 1061333503 /nfs/dbraw/zinc/33/35/03/1061333503.db2.gz IIXJEEXBMQNPJA-FYYLOGMGSA-N 0 3 484.645 2.857 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCN2CCC[C@H]2C)cc1C ZINC001289740245 1061354001 /nfs/dbraw/zinc/35/40/01/1061354001.db2.gz MFLSHJITXYOZGK-OAQYLSRUSA-N 0 3 481.645 2.936 20 0 JFADHN CC(=O)Nc1ccc(CCn2c(CC(C)C)nnc2N2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC001286893115 1061367773 /nfs/dbraw/zinc/36/77/73/1061367773.db2.gz GTXWHXACVXHFLW-JOCHJYFZSA-N 0 3 454.619 2.836 20 0 JFADHN CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001286910997 1061460218 /nfs/dbraw/zinc/46/02/18/1061460218.db2.gz DXFPYKPTXVJJFL-UXHICEINSA-N 0 3 453.616 2.733 20 0 JFADHN Cc1ccc(OCc2nnc(N3CCCOCC3)n2CCN2CCN(C)C(C)(C)C2)cc1C ZINC001289819324 1061479036 /nfs/dbraw/zinc/47/90/36/1061479036.db2.gz SERZJYVNPRFYLV-UHFFFAOYSA-N 0 3 456.635 2.727 20 0 JFADHN CC(=O)NC1CCN(c2nnc(Cc3ccccn3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001286919417 1061509747 /nfs/dbraw/zinc/50/97/47/1061509747.db2.gz ONYHBOZOUUPZKC-UHFFFAOYSA-N 0 3 465.577 2.640 20 0 JFADHN CCC[C@@H]1CN(c2nnc(CC)n2CCc2nccc(C(F)(F)F)n2)CCN1CCOC ZINC001294092295 1061572139 /nfs/dbraw/zinc/57/21/39/1061572139.db2.gz WDVLCTIMCFAETM-MRXNPFEDSA-N 0 3 455.529 2.829 20 0 JFADHN Cc1cccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N2CCN(CCC(C)(C)C)CC2)c1 ZINC001289892907 1061577659 /nfs/dbraw/zinc/57/76/59/1061577659.db2.gz FODHPKIHVKDZCV-UHFFFAOYSA-N 0 3 495.672 2.697 20 0 JFADHN CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001294117350 1061599604 /nfs/dbraw/zinc/59/96/04/1061599604.db2.gz WOJVKSQAILLYCX-KNQAVFIVSA-N 0 3 475.682 2.766 20 0 JFADHN Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)n1 ZINC001289948268 1061640324 /nfs/dbraw/zinc/64/03/24/1061640324.db2.gz VHQATRWVOYROQP-NRFANRHFSA-N 0 3 451.550 2.792 20 0 JFADHN CC(=O)NCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001286950956 1061686159 /nfs/dbraw/zinc/68/61/59/1061686159.db2.gz OMRFQOVWQDGCQH-UHFFFAOYSA-N 0 3 497.463 2.596 20 0 JFADHN CC(=O)NCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001286951945 1061693469 /nfs/dbraw/zinc/69/34/69/1061693469.db2.gz MEPDVOQBPSOFEK-JOCHJYFZSA-N 0 3 470.618 2.875 20 0 JFADHN CC(=O)NCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC(C)C)CC1 ZINC001286952416 1061696876 /nfs/dbraw/zinc/69/68/76/1061696876.db2.gz PQAXFALSQFOWKI-UHFFFAOYSA-N 0 3 491.681 2.697 20 0 JFADHN Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CCN2CC=CCC2)n1 ZINC001289978523 1061697433 /nfs/dbraw/zinc/69/74/33/1061697433.db2.gz BIDXEGGZDDMASV-UHFFFAOYSA-N 0 3 453.591 2.968 20 0 JFADHN Cc1cccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2C[C@](C)(O)CCC(C)C)n1 ZINC001289978924 1061699633 /nfs/dbraw/zinc/69/96/33/1061699633.db2.gz HWUPCJQGUSOIKO-BKMJKUGQSA-N 0 3 483.661 2.579 20 0 JFADHN CCCCN(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1c1nncn1C ZINC001294218029 1061729718 /nfs/dbraw/zinc/72/97/18/1061729718.db2.gz XGUQLOIGIDNFLV-HXUWFJFHSA-N 0 3 486.646 2.551 20 0 JFADHN CCCCN(C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001294219616 1061731267 /nfs/dbraw/zinc/73/12/67/1061731267.db2.gz ZRRRNMHICDINTH-DEOSSOPVSA-N 0 3 491.658 2.709 20 0 JFADHN CCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001294223125 1061733373 /nfs/dbraw/zinc/73/33/73/1061733373.db2.gz BUZQYRUGKPVNSE-QFIPXVFZSA-N 0 3 470.618 2.920 20 0 JFADHN CCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001294223125 1061733380 /nfs/dbraw/zinc/73/33/80/1061733380.db2.gz BUZQYRUGKPVNSE-QFIPXVFZSA-N 0 3 470.618 2.920 20 0 JFADHN CC1CCN([C@H](CNC(=O)CNc2ccc(S(N)(=O)=O)cc2F)c2cccs2)CC1 ZINC001290021249 1061743208 /nfs/dbraw/zinc/74/32/08/1061743208.db2.gz CMGIMUSSRVPUQP-GOSISDBHSA-N 0 3 454.593 2.536 20 0 JFADHN Cc1cccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@H](C(C)C)N2CCCC2)c1 ZINC001290045913 1061763413 /nfs/dbraw/zinc/76/34/13/1061763413.db2.gz AFRVHCIYMZHTAE-IFMALSPDSA-N 0 3 475.659 2.909 20 0 JFADHN CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001294289740 1061776190 /nfs/dbraw/zinc/77/61/90/1061776190.db2.gz OQSGTBDFINMVQK-HXUWFJFHSA-N 0 3 470.618 2.799 20 0 JFADHN CCCCN1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001294309177 1061797969 /nfs/dbraw/zinc/79/79/69/1061797969.db2.gz SFGDXSDLFKXMHE-FQEVSTJZSA-N 0 3 491.658 2.852 20 0 JFADHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@H](C)C2)C1 ZINC001294315671 1061808298 /nfs/dbraw/zinc/80/82/98/1061808298.db2.gz COUPAPPLOSJJAL-BHDDXSALSA-N 0 3 487.693 2.767 20 0 JFADHN Cc1cccc(OCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001290086571 1061818871 /nfs/dbraw/zinc/81/88/71/1061818871.db2.gz SVXSAQYYQULYHT-QFIPXVFZSA-N 0 3 468.646 2.997 20 0 JFADHN COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cnn(CC[NH+](C)C)c3)ccc2C)cc1 ZINC001290159466 1061901399 /nfs/dbraw/zinc/90/13/99/1061901399.db2.gz SFGUHQVKBXYOSY-UHFFFAOYSA-N 0 3 457.556 2.815 20 0 JFADHN CC(C)(C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001286998557 1061911612 /nfs/dbraw/zinc/91/16/12/1061911612.db2.gz BJWLGLMVBPKNQO-UHFFFAOYSA-N 0 3 486.636 2.622 20 0 JFADHN CCCCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCN2C2CC2)CC1 ZINC001294348884 1061911775 /nfs/dbraw/zinc/91/17/75/1061911775.db2.gz ISXUYXGRISCGKT-OAQYLSRUSA-N 0 3 473.666 2.566 20 0 JFADHN Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001290172952 1061917147 /nfs/dbraw/zinc/91/71/47/1061917147.db2.gz AQAHTTZFBMWHTC-UHFFFAOYSA-N 0 3 481.689 2.508 20 0 JFADHN CC(C)(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1cccc(F)c1F ZINC001287007293 1061930586 /nfs/dbraw/zinc/93/05/86/1061930586.db2.gz LREYBWVAABMXAS-UHFFFAOYSA-N 0 3 460.573 2.841 20 0 JFADHN CCCCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001294359378 1061931062 /nfs/dbraw/zinc/93/10/62/1061931062.db2.gz PMIZXFJRPHVHMP-MOPGFXCFSA-N 0 3 487.674 2.726 20 0 JFADHN CC(C)(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001287007809 1061932176 /nfs/dbraw/zinc/93/21/76/1061932176.db2.gz SHVUPRRUJWUVRY-VWLOTQADSA-N 0 3 489.064 2.881 20 0 JFADHN Cc1ccccc1O[C@H](C)Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001290198533 1061940046 /nfs/dbraw/zinc/94/00/46/1061940046.db2.gz CGSSBWVIAQPLRE-RTWAWAEBSA-N 0 3 454.619 2.920 20 0 JFADHN C[C@@H]1CN(CCCCNC(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001294413979 1061979387 /nfs/dbraw/zinc/97/93/87/1061979387.db2.gz GIYGWWJBKKEDEX-JQVVWYNYSA-N 0 3 458.603 2.969 20 0 JFADHN C[C@@H]1CN(CCCCNC(=O)C2=NO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C[C@@H](C)O1 ZINC001294414290 1061979814 /nfs/dbraw/zinc/97/98/14/1061979814.db2.gz JPVZEZIWQKRCTK-PMAPCBKXSA-N 0 3 452.596 2.538 20 0 JFADHN CC(C)(C)Cc1nnc(N2CCN(C3CCOCC3)CC2)n1CCc1cccc(C(N)=O)c1 ZINC001287034808 1061999373 /nfs/dbraw/zinc/99/93/73/1061999373.db2.gz XFWXEZPCIVIONR-UHFFFAOYSA-N 0 3 454.619 2.509 20 0 JFADHN CC(C)(C)Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCNC(=O)c1cccs1 ZINC001287035503 1062000935 /nfs/dbraw/zinc/00/09/35/1062000935.db2.gz NTDZAQOKTNFMEV-SFHVURJKSA-N 0 3 460.648 2.517 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCNS(C)(=O)=O)CC1 ZINC001287039247 1062006137 /nfs/dbraw/zinc/00/61/37/1062006137.db2.gz AJXHDEVQADCXJT-UHFFFAOYSA-N 0 3 488.702 2.856 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001287039894 1062006978 /nfs/dbraw/zinc/00/69/78/1062006978.db2.gz PHRWLDREQUTDAS-UHFFFAOYSA-N 0 3 494.648 2.878 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(CCOc3ccccc3)n2CC2(O)CCOCC2)CC1 ZINC001287041561 1062009200 /nfs/dbraw/zinc/00/92/00/1062009200.db2.gz MGAYECMSYZVRCF-UHFFFAOYSA-N 0 3 471.646 2.999 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCOCC2(C)C)CC1 ZINC001287041379 1062009460 /nfs/dbraw/zinc/00/94/60/1062009460.db2.gz JOCZFMYXCVRXLD-NRFANRHFSA-N 0 3 462.683 2.841 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001287042109 1062011119 /nfs/dbraw/zinc/01/11/19/1062011119.db2.gz ZOTCJCGUBGYPKN-FQEVSTJZSA-N 0 3 453.635 2.737 20 0 JFADHN CC(C)(C)N1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCSCCCO)CC1 ZINC001287043490 1062015312 /nfs/dbraw/zinc/01/53/12/1062015312.db2.gz FKJBUACWIUWDHV-FQEVSTJZSA-N 0 3 461.632 2.827 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)Nc2ccc(F)cc2)CC1 ZINC001287045213 1062022548 /nfs/dbraw/zinc/02/25/48/1062022548.db2.gz ZZUNSNCMMGIJKR-UHFFFAOYSA-N 0 3 499.616 2.968 20 0 JFADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001294519364 1062055971 /nfs/dbraw/zinc/05/59/71/1062055971.db2.gz DCWMLUZJRRIMEP-VQTJNVASSA-N 0 3 492.665 2.766 20 0 JFADHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001294519382 1062056041 /nfs/dbraw/zinc/05/60/41/1062056041.db2.gz DJUOIJQJGXCKOU-QFIPXVFZSA-N 0 3 488.702 2.856 20 0 JFADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001290372392 1062076589 /nfs/dbraw/zinc/07/65/89/1062076589.db2.gz MHEPTDZWSXKZBE-SJORKVTESA-N 0 3 454.017 2.945 20 0 JFADHN Cc1nc(Cc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)cs1 ZINC001290385839 1062089792 /nfs/dbraw/zinc/08/97/92/1062089792.db2.gz MIHUEQHOTIZMJE-SFHVURJKSA-N 0 3 466.677 2.522 20 0 JFADHN CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001294614290 1062122847 /nfs/dbraw/zinc/12/28/47/1062122847.db2.gz XVICYDQVSUIMFK-UHFFFAOYSA-N 0 3 489.665 2.547 20 0 JFADHN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H]3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cs1 ZINC001290413199 1062131932 /nfs/dbraw/zinc/13/19/32/1062131932.db2.gz BVVACHAXLGJLAW-ABSDTBQOSA-N 0 3 459.664 2.811 20 0 JFADHN Cc1nc(Cc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC(C)(C)N2CCC[C@@H](C)C2)cs1 ZINC001290422220 1062161643 /nfs/dbraw/zinc/16/16/43/1062161643.db2.gz WNYSFSIUXKVETK-VQIMIIECSA-N 0 3 480.704 2.768 20 0 JFADHN CCCN1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CC)Cc2ccc(OC)cc2)C1 ZINC001294655717 1062200308 /nfs/dbraw/zinc/20/03/08/1062200308.db2.gz BZCSKJPMMLXXJV-NHCUHLMSSA-N 0 3 475.659 2.947 20 0 JFADHN CCCN1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294665623 1062218090 /nfs/dbraw/zinc/21/80/90/1062218090.db2.gz ZRQKUGIBCZPTIO-QUCCMNQESA-N 0 3 480.704 2.769 20 0 JFADHN CCCN1CC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001294667540 1062223246 /nfs/dbraw/zinc/22/32/46/1062223246.db2.gz APCIEFTWTNFPNS-YADHBBJMSA-N 0 3 459.660 2.809 20 0 JFADHN CC(C)(C)OCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001287081829 1062238769 /nfs/dbraw/zinc/23/87/69/1062238769.db2.gz CMWDJTQDYDYJHG-IFMALSPDSA-N 0 3 490.693 2.756 20 0 JFADHN CC(C)(C)OC(=O)NC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001287092821 1062290096 /nfs/dbraw/zinc/29/00/96/1062290096.db2.gz LRBOBDDGWUJKBC-UHFFFAOYSA-N 0 3 499.660 2.868 20 0 JFADHN CCCN1CCCN(c2nnc(-c3cc(Br)cn3C)n2CCN2CC=CCC2)CC1=O ZINC001294722001 1062299184 /nfs/dbraw/zinc/29/91/84/1062299184.db2.gz QHQDHWWNGKTXIG-UHFFFAOYSA-N 0 3 490.450 2.757 20 0 JFADHN Cc1nccn1CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)CC(F)(F)F ZINC001290528402 1062328812 /nfs/dbraw/zinc/32/88/12/1062328812.db2.gz GACMVTZHUDUWQQ-UHFFFAOYSA-N 0 3 476.551 2.846 20 0 JFADHN CCCN1CCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001294744757 1062336449 /nfs/dbraw/zinc/33/64/49/1062336449.db2.gz CITYHHSYUNTTNN-SFHVURJKSA-N 0 3 482.448 2.817 20 0 JFADHN Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCC[C@@H](C)C1 ZINC001290541371 1062341430 /nfs/dbraw/zinc/34/14/30/1062341430.db2.gz FIQBVFRDHSXRAL-QGZVFWFLSA-N 0 3 465.606 2.644 20 0 JFADHN CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001287121888 1062369472 /nfs/dbraw/zinc/36/94/72/1062369472.db2.gz JLMFTQYEEBTCKA-LEWJYISDSA-N 0 3 489.709 2.507 20 0 JFADHN CCCNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)c1 ZINC001294771175 1062370206 /nfs/dbraw/zinc/37/02/06/1062370206.db2.gz NRWVMKIRYYFLQX-WOJBJXKFSA-N 0 3 481.645 2.621 20 0 JFADHN CC(C)C(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001287122802 1062374333 /nfs/dbraw/zinc/37/43/33/1062374333.db2.gz WZHNWYFXERBSIF-LJQANCHMSA-N 0 3 487.674 2.506 20 0 JFADHN Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(C)C)n3CCCN3CCC[C@H]3C(=O)N(C)C)C2)n1 ZINC001290581594 1062388330 /nfs/dbraw/zinc/38/83/30/1062388330.db2.gz NRKJVFPIZOGMMR-YADHBBJMSA-N 0 3 470.666 2.999 20 0 JFADHN CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001294788223 1062393702 /nfs/dbraw/zinc/39/37/02/1062393702.db2.gz DIGVCCTUOOAMNV-PZJWPPBQSA-N 0 3 471.650 2.615 20 0 JFADHN CC(C)C(=O)NCCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCSCC1 ZINC001287133921 1062446601 /nfs/dbraw/zinc/44/66/01/1062446601.db2.gz WTWMJXYJPKFTJA-UHFFFAOYSA-N 0 3 469.659 2.694 20 0 JFADHN CC(C)[C@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001287152276 1062525320 /nfs/dbraw/zinc/52/53/20/1062525320.db2.gz YHHPPETYVGQAIW-HHHXNRCGSA-N 0 3 482.673 2.605 20 0 JFADHN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001287153146 1062530081 /nfs/dbraw/zinc/53/00/81/1062530081.db2.gz MYDKJZNTORFCRY-AJSBUHFISA-N 0 3 495.672 2.909 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCN(CC4CCOCC4)CC3)n2CCC(C)(F)F)n1 ZINC001290645513 1062534981 /nfs/dbraw/zinc/53/49/81/1062534981.db2.gz AZPCPZCRRADZEB-UHFFFAOYSA-N 0 3 451.566 2.734 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2CCc2cccc(C(=O)N(C)C)c2)n1 ZINC001290646592 1062537476 /nfs/dbraw/zinc/53/74/76/1062537476.db2.gz RBRDCUJGXUAOAC-UHFFFAOYSA-N 0 3 492.672 2.862 20 0 JFADHN CC(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnccn1)N1CCCC1 ZINC001287159326 1062555586 /nfs/dbraw/zinc/55/55/86/1062555586.db2.gz YSNZMHRNFRKRON-JOCHJYFZSA-N 0 3 483.642 2.895 20 0 JFADHN CCCNC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001294855693 1062555890 /nfs/dbraw/zinc/55/58/90/1062555890.db2.gz BYCSAPAMMIXVEV-UHFFFAOYSA-N 0 3 490.599 2.612 20 0 JFADHN CC(C)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001287163277 1062568973 /nfs/dbraw/zinc/56/89/73/1062568973.db2.gz WAVYVSZMUSTPDF-NHCUHLMSSA-N 0 3 463.623 2.752 20 0 JFADHN CCCNC(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001294871319 1062577808 /nfs/dbraw/zinc/57/78/08/1062577808.db2.gz UUMINLFJLCQEQT-UHFFFAOYSA-N 0 3 484.645 2.691 20 0 JFADHN CC(C)c1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)(C)C)CC2)cs1 ZINC001287170645 1062586663 /nfs/dbraw/zinc/58/66/63/1062586663.db2.gz SEIIXPYCYQVNBO-MRXNPFEDSA-N 0 3 483.708 2.631 20 0 JFADHN Cc1nnc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCCCC3)CC2)s1 ZINC001290678469 1062587369 /nfs/dbraw/zinc/58/73/69/1062587369.db2.gz FHLUQOZBFDORIA-UHFFFAOYSA-N 0 3 460.652 2.664 20 0 JFADHN CC(C)c1nnc(N(C)CCCS(C)(=O)=O)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001287184125 1062610081 /nfs/dbraw/zinc/61/00/81/1062610081.db2.gz OAXXDXKNLLIVHG-NRFANRHFSA-N 0 3 463.648 2.564 20 0 JFADHN CC(C)c1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001287191199 1062616857 /nfs/dbraw/zinc/61/68/57/1062616857.db2.gz AERDDNBXPOBUIG-KSFYIVLOSA-N 0 3 459.620 2.580 20 0 JFADHN Cc1nnc(N(C)CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001290736894 1062657681 /nfs/dbraw/zinc/65/76/81/1062657681.db2.gz GQTUKJXRKYMBLK-SZPZYZBQSA-N 0 3 469.678 2.733 20 0 JFADHN CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCN(C)c1ccccc1 ZINC001287213545 1062671714 /nfs/dbraw/zinc/67/17/14/1062671714.db2.gz ASSJEDAFSGQCRE-QFIPXVFZSA-N 0 3 453.635 2.671 20 0 JFADHN CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@H](C)N(C)c1ccccc1 ZINC001287214669 1062680820 /nfs/dbraw/zinc/68/08/20/1062680820.db2.gz PBHFMDTVWFQFDP-RBBKRZOGSA-N 0 3 453.635 2.669 20 0 JFADHN CCCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2CCn2cncn2)cc1OC ZINC001294922613 1062689819 /nfs/dbraw/zinc/68/98/19/1062689819.db2.gz CVFASOBUKZZCTO-RBUKOAKNSA-N 0 3 468.606 2.953 20 0 JFADHN Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001290800003 1062704914 /nfs/dbraw/zinc/70/49/14/1062704914.db2.gz IGHZAMCEEFCPFG-IBGZPJMESA-N 0 3 453.509 2.771 20 0 JFADHN CC(C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001287220649 1062705266 /nfs/dbraw/zinc/70/52/66/1062705266.db2.gz YMMBOWQDWINNSE-AZUAARDMSA-N 0 3 472.609 2.574 20 0 JFADHN CC(C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001287220686 1062706004 /nfs/dbraw/zinc/70/60/04/1062706004.db2.gz ZQWBZFIHVRRNLZ-QUCCMNQESA-N 0 3 488.599 2.744 20 0 JFADHN O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001290802914 1062706796 /nfs/dbraw/zinc/70/67/96/1062706796.db2.gz CJIOGRPVVQBJHV-KRWDZBQOSA-N 0 3 455.502 2.765 20 0 JFADHN CC(C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001287222145 1062707350 /nfs/dbraw/zinc/70/73/50/1062707350.db2.gz AVMUELXSYUBMAX-UHFFFAOYSA-N 0 3 450.628 2.817 20 0 JFADHN CCCOc1ccc(-c2nnc(N3CC[C@@H](N4CCN(CC)CC4)C3)n2CC(C)(C)O)cc1OC ZINC001294934278 1062711677 /nfs/dbraw/zinc/71/16/77/1062711677.db2.gz STMFGWNKAAOZAN-OAQYLSRUSA-N 0 3 486.661 2.730 20 0 JFADHN Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H](c1ccco1)N1CCCCC1 ZINC001290824118 1062718193 /nfs/dbraw/zinc/71/81/93/1062718193.db2.gz MUBZUZQZDVFMEQ-UXHICEINSA-N 0 3 464.636 2.515 20 0 JFADHN CCCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)(C)C)CC2)cc1 ZINC001294948643 1062734510 /nfs/dbraw/zinc/73/45/10/1062734510.db2.gz DNKQTKLOENRIEV-GOSISDBHSA-N 0 3 478.663 2.646 20 0 JFADHN CCN1CCN(Cc2ccccc2CNC(=O)C2(CC(=O)OC(C)(C)C)CCOCC2)CC1 ZINC001290860139 1062744608 /nfs/dbraw/zinc/74/46/08/1062744608.db2.gz VJZFDGBPHWFJPL-UHFFFAOYSA-N 0 3 459.631 2.969 20 0 JFADHN CCN1CCN(Cc2ccccc2CNC(=O)[C@@H](c2ccccc2F)N2CCOCC2)CC1 ZINC001290860206 1062744902 /nfs/dbraw/zinc/74/49/02/1062744902.db2.gz XZXFSSZBFIZYRE-RUZDIDTESA-N 0 3 454.590 2.653 20 0 JFADHN Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001290869976 1062754606 /nfs/dbraw/zinc/75/46/06/1062754606.db2.gz NVMPMQOYNIDXIC-CTUHWIOQSA-N 0 3 485.652 2.845 20 0 JFADHN CCCOc1cccc(CCn2c(C)nnc2N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)c1 ZINC001294972883 1062756012 /nfs/dbraw/zinc/75/60/12/1062756012.db2.gz OJQBKKXTEZZHKX-NLFFAJNJSA-N 0 3 468.646 2.997 20 0 JFADHN Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1CCN(C)Cc1ccccc1 ZINC001290870824 1062757123 /nfs/dbraw/zinc/75/71/23/1062757123.db2.gz YDBFUKWURKBGIH-XUZZJYLKSA-N 0 3 467.662 2.535 20 0 JFADHN CCCOc1ncccc1Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001294976865 1062761009 /nfs/dbraw/zinc/76/10/09/1062761009.db2.gz DMWLWUUTZAYTSZ-FPOVZHCZSA-N 0 3 469.634 2.767 20 0 JFADHN CCCO[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(N(C)C)CCSC2)CC1 ZINC001294986234 1062773702 /nfs/dbraw/zinc/77/37/02/1062773702.db2.gz DTFOXXBNJPAKAX-XXBNENTESA-N 0 3 464.680 2.737 20 0 JFADHN CCCO[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CC1 ZINC001295002456 1062789515 /nfs/dbraw/zinc/78/95/15/1062789515.db2.gz OHMYMCKBJUMRAW-RBUKOAKNSA-N 0 3 455.669 2.554 20 0 JFADHN Cc1noc(C)c1CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C(C)C)C(C)C ZINC001290929335 1062803831 /nfs/dbraw/zinc/80/38/31/1062803831.db2.gz NQAGELWZOXWOPC-GOSISDBHSA-N 0 3 452.625 2.540 20 0 JFADHN Cc1noc(C)c1CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C(C)C)C(C)C ZINC001290929337 1062804298 /nfs/dbraw/zinc/80/42/98/1062804298.db2.gz NQAGELWZOXWOPC-SFHVURJKSA-N 0 3 452.625 2.540 20 0 JFADHN CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1)[NH+](C)C ZINC001287341521 1062819161 /nfs/dbraw/zinc/81/91/61/1062819161.db2.gz OGLAAZAEXYPNDQ-IFMALSPDSA-N 0 3 470.618 2.774 20 0 JFADHN CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCCC2)CC1 ZINC001295040489 1062838279 /nfs/dbraw/zinc/83/82/79/1062838279.db2.gz SJBWGRFDEPMWHW-UHFFFAOYSA-N 0 3 477.654 2.738 20 0 JFADHN CCN(C)C(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001295052607 1062855557 /nfs/dbraw/zinc/85/55/57/1062855557.db2.gz BUSURYUEVOMWMW-RTBURBONSA-N 0 3 455.607 2.544 20 0 JFADHN CC(C)Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@@](C)(O)c1ccccc1 ZINC001287417638 1062855658 /nfs/dbraw/zinc/85/56/58/1062855658.db2.gz CEQSBWPIZCTAHU-ZEQKJWHPSA-N 0 3 454.663 2.989 20 0 JFADHN CC(C)Cc1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001287422259 1062862165 /nfs/dbraw/zinc/86/21/65/1062862165.db2.gz VVEOOWGUGWPUFF-SFTDATJTSA-N 0 3 457.598 2.959 20 0 JFADHN CCN(C)C(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(CC2CC2)CC1 ZINC001295058147 1062865537 /nfs/dbraw/zinc/86/55/37/1062865537.db2.gz NVHNQRSBZBOVKF-UHFFFAOYSA-N 0 3 491.434 2.727 20 0 JFADHN CN(C)CCn1c2cc(C(=O)Nc3cccc(C(=O)NCc4ccccn4)c3)ccc2[nH]c1=O ZINC001290982362 1062869188 /nfs/dbraw/zinc/86/91/88/1062869188.db2.gz UIXCEEWYLHZLLT-UHFFFAOYSA-N 0 3 458.522 2.881 20 0 JFADHN CC(C)Cc1nnc(N2CCc3nn(C)c(=O)cc3C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001287434393 1062870019 /nfs/dbraw/zinc/87/00/19/1062870019.db2.gz KWGRGBQDGMMLRE-OAQYLSRUSA-N 0 3 453.566 2.575 20 0 JFADHN CC(C)Cc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1C[C@H](c1ccco1)N(C)C ZINC001287457219 1062895896 /nfs/dbraw/zinc/89/58/96/1062895896.db2.gz SILJDGVYSTXVTN-OAQYLSRUSA-N 0 3 454.623 2.818 20 0 JFADHN C[C@@H]1C[C@H](C)CN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291013139 1062918687 /nfs/dbraw/zinc/91/86/87/1062918687.db2.gz JPASYQQZQVQULV-CIAFKFPVSA-N 0 3 481.707 2.944 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001287475980 1062926625 /nfs/dbraw/zinc/92/66/25/1062926625.db2.gz DTCQRUFHDJBDOG-LJQANCHMSA-N 0 3 464.655 2.938 20 0 JFADHN CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001295152832 1062973193 /nfs/dbraw/zinc/97/31/93/1062973193.db2.gz SPFBHDASSZMGBN-LGVFNWMJSA-N 0 3 497.706 2.597 20 0 JFADHN CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295193552 1063013508 /nfs/dbraw/zinc/01/35/08/1063013508.db2.gz IQTFEDPGAKEXFM-TZIWHRDSSA-N 0 3 460.648 2.782 20 0 JFADHN C[C@@H]1CCC[C@](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccn2)(N(C)C)C1 ZINC001291067399 1063013822 /nfs/dbraw/zinc/01/38/22/1063013822.db2.gz AMCCNCSKTWXQBE-MSYCTHLASA-N 0 3 460.648 2.722 20 0 JFADHN C[C@@H]1CCC[C@@](Cn2c(Cc3ccncc3)nnc2N(C)CCCS(C)(=O)=O)(N(C)C)C1 ZINC001291068870 1063017015 /nfs/dbraw/zinc/01/70/15/1063017015.db2.gz TZDZFERAAGYGQC-AUSIDOKSSA-N 0 3 462.664 2.645 20 0 JFADHN CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295195961 1063017497 /nfs/dbraw/zinc/01/74/97/1063017497.db2.gz UFHGCUZHZGQTFW-VQTJNVASSA-N 0 3 460.648 2.782 20 0 JFADHN CCN(c1nnc(Cc2ccccn2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295230377 1063053177 /nfs/dbraw/zinc/05/31/77/1063053177.db2.gz XPLCYJJMXIOPQU-CTNGQTDRSA-N 0 3 460.648 2.542 20 0 JFADHN CC(C)CN1CCC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001287739968 1063065058 /nfs/dbraw/zinc/06/50/58/1063065058.db2.gz BYQWMMOACFNWCA-UGKGYDQZSA-N 0 3 493.649 2.988 20 0 JFADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1CCCN1CCCC[C@H]1C ZINC001291100293 1063068333 /nfs/dbraw/zinc/06/83/33/1063068333.db2.gz XIXNNLFNAIRCMS-VAMGGRTRSA-N 0 3 462.664 2.786 20 0 JFADHN CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ncccc2Cl)CC1 ZINC001287742540 1063069735 /nfs/dbraw/zinc/06/97/35/1063069735.db2.gz VDBBRNDELQBTFL-UHFFFAOYSA-N 0 3 484.992 2.831 20 0 JFADHN CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)N1C[C@H](C)C[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295263390 1063079241 /nfs/dbraw/zinc/07/92/41/1063079241.db2.gz WYUJHXFYQCLCJB-ZGXWSNOMSA-N 0 3 467.680 2.900 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCO[C@H](C)C2)CC1 ZINC001287752257 1063080139 /nfs/dbraw/zinc/08/01/39/1063080139.db2.gz WUBGGFBIAAVXEB-UXHICEINSA-N 0 3 475.659 2.942 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001287757045 1063083550 /nfs/dbraw/zinc/08/35/50/1063083550.db2.gz DJVCWWUZCWLYJX-UHFFFAOYSA-N 0 3 470.643 2.708 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CCN1CCC[C@H](C)C1 ZINC001291126516 1063155693 /nfs/dbraw/zinc/15/56/93/1063155693.db2.gz NIKVKDUXJACJDA-NRFANRHFSA-N 0 3 487.693 2.767 20 0 JFADHN C[C@H]1CCCN(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(CO)CC2)C1 ZINC001291126799 1063156894 /nfs/dbraw/zinc/15/68/94/1063156894.db2.gz SXGGEKAXKSMKDQ-SFHVURJKSA-N 0 3 475.037 2.802 20 0 JFADHN C[C@H]1CCCN1CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001291136246 1063190949 /nfs/dbraw/zinc/19/09/49/1063190949.db2.gz SZEOATIPCZRQTG-DLBZAZTESA-N 0 3 458.529 2.546 20 0 JFADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC001295323770 1063207151 /nfs/dbraw/zinc/20/71/51/1063207151.db2.gz TVUXQSSIOYCAIJ-SJLPKXTDSA-N 0 3 459.597 2.697 20 0 JFADHN CCNS(=O)(=O)c1cccc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC001295324604 1063209288 /nfs/dbraw/zinc/20/92/88/1063209288.db2.gz WCQIZQKBNSLRDI-FQEVSTJZSA-N 0 3 453.568 2.881 20 0 JFADHN C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCN2CCCO)C1 ZINC001291146527 1063231177 /nfs/dbraw/zinc/23/11/77/1063231177.db2.gz GMDWEWUZZPUMMH-XLIONFOSSA-N 0 3 461.010 2.555 20 0 JFADHN CCN(CC)C(=O)N1CCN(c2nnc(-c3cnccn3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001295351050 1063296797 /nfs/dbraw/zinc/29/67/97/1063296797.db2.gz MNJOVYJBSPRMIB-UHFFFAOYSA-N 0 3 495.607 2.590 20 0 JFADHN CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001295351943 1063298950 /nfs/dbraw/zinc/29/89/50/1063298950.db2.gz TZXNYIDWDMXHRC-FGZHOGPDSA-N 0 3 469.634 2.669 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001295367044 1063331719 /nfs/dbraw/zinc/33/17/19/1063331719.db2.gz SDEVAJSYYOYZTP-ICSRJNTNSA-N 0 3 486.646 2.512 20 0 JFADHN C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2N(C)CCCC2(C)C)CCN1CC(F)(F)F ZINC001291195916 1063335967 /nfs/dbraw/zinc/33/59/67/1063335967.db2.gz ANXYNNDLTMFEPC-MSOLQXFVSA-N 0 3 485.599 2.707 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001295379893 1063351857 /nfs/dbraw/zinc/35/18/57/1063351857.db2.gz NJNNDBLBJRJRQX-NVXWUHKLSA-N 0 3 455.575 2.825 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001295380326 1063353143 /nfs/dbraw/zinc/35/31/43/1063353143.db2.gz PKZIDUMLIKBCPA-JBYIUTFZSA-N 0 3 455.669 2.552 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001295382212 1063354917 /nfs/dbraw/zinc/35/49/17/1063354917.db2.gz ZGHPKEGILLSYAO-HZPDHXFCSA-N 0 3 455.575 2.501 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001295386731 1063363533 /nfs/dbraw/zinc/36/35/33/1063363533.db2.gz WFAHZVAOMPLONT-CPJSRVTESA-N 0 3 489.686 2.817 20 0 JFADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001291205544 1063364643 /nfs/dbraw/zinc/36/46/43/1063364643.db2.gz KKPNANAYKGAHOG-WCVJEAGWSA-N 0 3 472.706 2.583 20 0 JFADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)C2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001291205980 1063366562 /nfs/dbraw/zinc/36/65/62/1063366562.db2.gz QQBDCRRVVUPLHE-ZACQAIPSSA-N 0 3 484.717 2.729 20 0 JFADHN CCN(CC)[C@@H](Cn1c(C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O)c1ccco1 ZINC001295392683 1063377770 /nfs/dbraw/zinc/37/77/70/1063377770.db2.gz MMWYQDRYXMBJML-FQEVSTJZSA-N 0 3 450.543 2.995 20 0 JFADHN CCN(CC)[C@H](Cn1c(C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001295397425 1063384321 /nfs/dbraw/zinc/38/43/21/1063384321.db2.gz MYRNQNMIAINJNW-RTBURBONSA-N 0 3 462.595 2.993 20 0 JFADHN CCN(CC)[C@H](Cn1c(C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001295397423 1063384361 /nfs/dbraw/zinc/38/43/61/1063384361.db2.gz MYRNQNMIAINJNW-RBUKOAKNSA-N 0 3 462.595 2.993 20 0 JFADHN CCN(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)CC1)c1ccsc1 ZINC001295404623 1063391163 /nfs/dbraw/zinc/39/11/63/1063391163.db2.gz LNCAVXYXMAVJIJ-HXUWFJFHSA-N 0 3 470.647 2.611 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001295408134 1063402063 /nfs/dbraw/zinc/40/20/63/1063402063.db2.gz ZDZXXWNYFCAPRG-WOJBJXKFSA-N 0 3 458.607 2.763 20 0 JFADHN C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCOCC2)C[C@H](C)S1 ZINC001291215130 1063422049 /nfs/dbraw/zinc/42/20/49/1063422049.db2.gz KBHCWSREVZMBBT-ROUUACIJSA-N 0 3 493.699 2.790 20 0 JFADHN C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN2CCN(C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001291229787 1063482275 /nfs/dbraw/zinc/48/22/75/1063482275.db2.gz OFOIDIPLYNREMO-SJLPKXTDSA-N 0 3 467.540 2.522 20 0 JFADHN C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN2CC=CCC2)CCN1C(=O)OC(C)(C)C ZINC001291230755 1063484947 /nfs/dbraw/zinc/48/49/47/1063484947.db2.gz IHQVSUBUEACIEZ-LJQANCHMSA-N 0 3 455.607 2.991 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC001295479637 1063488420 /nfs/dbraw/zinc/48/84/20/1063488420.db2.gz HHQIPMPCAPRWTM-LJQANCHMSA-N 0 3 497.635 2.622 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2C[C@@H]2C)CC1 ZINC001295480368 1063490467 /nfs/dbraw/zinc/49/04/67/1063490467.db2.gz LKPCJVYZJKNAPZ-DLBZAZTESA-N 0 3 492.466 2.693 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC=CO2)CC1 ZINC001295482373 1063500962 /nfs/dbraw/zinc/50/09/62/1063500962.db2.gz LWTUFBMDDPMKAS-JOCHJYFZSA-N 0 3 468.602 2.637 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C)s2)CC1 ZINC001295482451 1063501543 /nfs/dbraw/zinc/50/15/43/1063501543.db2.gz OSAVDFZNNGMEBD-UHFFFAOYSA-N 0 3 453.616 2.749 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2Cc2cc(F)ccc2SC)CC1 ZINC001295483060 1063506270 /nfs/dbraw/zinc/50/62/70/1063506270.db2.gz BHHZKNIFOLQAGB-UHFFFAOYSA-N 0 3 498.632 2.635 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccnc(SC)c2)CC1 ZINC001295483069 1063506427 /nfs/dbraw/zinc/50/64/27/1063506427.db2.gz BLIDHOOFMMNFCJ-UHFFFAOYSA-N 0 3 494.669 2.804 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001295483035 1063506543 /nfs/dbraw/zinc/50/65/43/1063506543.db2.gz AXDNZLREUOACGA-OALUTQOASA-N 0 3 468.593 2.598 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@@](C)(O)c2ccccc2)CC1 ZINC001295483779 1063508290 /nfs/dbraw/zinc/50/82/90/1063508290.db2.gz HJECACIACFLCSZ-YIXXDRMTSA-N 0 3 498.672 2.808 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CC2(OC)CCCCC2)CC1 ZINC001295484310 1063509995 /nfs/dbraw/zinc/50/99/95/1063509995.db2.gz LWTAGXLDKCLKSM-UHFFFAOYSA-N 0 3 483.661 2.988 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001295484347 1063510557 /nfs/dbraw/zinc/51/05/57/1063510557.db2.gz MWXLZERLYVKOQP-QZNHQXDQSA-N 0 3 490.693 2.614 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 ZINC001295484746 1063513060 /nfs/dbraw/zinc/51/30/60/1063513060.db2.gz RAAQKNUQWRLTFX-CYFREDJKSA-N 0 3 457.623 2.611 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCOc2ccccc2Cl)CC1 ZINC001295485519 1063514570 /nfs/dbraw/zinc/51/45/70/1063514570.db2.gz XOWNWTQUWFVXOD-UHFFFAOYSA-N 0 3 486.020 2.996 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCCO2)CC1 ZINC001295490634 1063517028 /nfs/dbraw/zinc/51/70/28/1063517028.db2.gz BQYCLLGZSJKTJE-JOCHJYFZSA-N 0 3 484.645 2.643 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CCc2cccc(F)c2F)CC1 ZINC001295490714 1063518474 /nfs/dbraw/zinc/51/84/74/1063518474.db2.gz FXNKBORHJHUUEC-UHFFFAOYSA-N 0 3 497.594 2.775 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC=CO2)CC1 ZINC001295491336 1063522326 /nfs/dbraw/zinc/52/23/26/1063522326.db2.gz SMSVWDLVKQUZTA-HXUWFJFHSA-N 0 3 486.592 2.679 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCOC(C)(C)C)CC1 ZINC001295491573 1063523204 /nfs/dbraw/zinc/52/32/04/1063523204.db2.gz UWWUAXPYQYNUDZ-UHFFFAOYSA-N 0 3 474.625 2.814 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC[C@H]2CCCCO2)CC1 ZINC001295491861 1063524171 /nfs/dbraw/zinc/52/41/71/1063524171.db2.gz XSCNPYRKXSNTOV-JOCHJYFZSA-N 0 3 460.667 2.960 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CSCCS2)CC1 ZINC001295491846 1063524281 /nfs/dbraw/zinc/52/42/81/1063524281.db2.gz XCLPKHAOFQEISM-SFHVURJKSA-N 0 3 468.737 2.706 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2C[C@H]2C)CC1 ZINC001295491884 1063524970 /nfs/dbraw/zinc/52/49/70/1063524970.db2.gz YMCBDBMMXICVLD-NHCUHLMSSA-N 0 3 454.619 2.812 20 0 JFADHN C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC(C)(C)C1 ZINC001291249342 1063526081 /nfs/dbraw/zinc/52/60/81/1063526081.db2.gz CXDRPMCFOIVWAV-ACRUOGEOSA-N 0 3 460.667 2.987 20 0 JFADHN C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001291275767 1063584594 /nfs/dbraw/zinc/58/45/94/1063584594.db2.gz YVOGMUOZLLWWMZ-JTHBVZDNSA-N 0 3 468.646 2.621 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001295553963 1063587461 /nfs/dbraw/zinc/58/74/61/1063587461.db2.gz NYYBXCSSFQWSOU-HOYKHHGWSA-N 0 3 491.658 2.708 20 0 JFADHN C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCN(C)Cc2ccccc2)C[C@@H](C(F)(F)F)O1 ZINC001291276865 1063588010 /nfs/dbraw/zinc/58/80/10/1063588010.db2.gz TWQBXCMQHKOWDV-HKUYNNGSSA-N 0 3 480.535 2.689 20 0 JFADHN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN(C)Cc2ccccc2)C[C@@H](C(F)(F)F)O1 ZINC001291276867 1063588499 /nfs/dbraw/zinc/58/84/99/1063588499.db2.gz TWQBXCMQHKOWDV-MJGOQNOKSA-N 0 3 480.535 2.689 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnccn1 ZINC001295555351 1063590426 /nfs/dbraw/zinc/59/04/26/1063590426.db2.gz ZZSAEAPMJLIFAB-QGZVFWFLSA-N 0 3 457.604 2.505 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001295564248 1063597354 /nfs/dbraw/zinc/59/73/54/1063597354.db2.gz SIVOQGMTNYGUEY-HGHGUNKESA-N 0 3 497.612 2.767 20 0 JFADHN CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C)o2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001295650893 1063693164 /nfs/dbraw/zinc/69/31/64/1063693164.db2.gz BTXVRMLFMKWVLJ-HXUWFJFHSA-N 0 3 468.606 2.549 20 0 JFADHN CCN(C[C@@H]1CCCO1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001295713672 1063731958 /nfs/dbraw/zinc/73/19/58/1063731958.db2.gz GZZCQMWPTLQBBY-XZOQPEGZSA-N 0 3 484.645 2.713 20 0 JFADHN C[C@@H]1CSCCN1c1nnc(Cc2ccsc2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291314327 1063746467 /nfs/dbraw/zinc/74/64/67/1063746467.db2.gz ZAYLSJPZSSATPE-MJGOQNOKSA-N 0 3 462.689 2.815 20 0 JFADHN C[C@@H]1N(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CCCCC2)N(C)C)CCOC1(C)C ZINC001291318162 1063754452 /nfs/dbraw/zinc/75/44/52/1063754452.db2.gz DFEQXKIZTNHNNW-IHPCNDPISA-N 0 3 467.680 2.694 20 0 JFADHN CCN(C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC(C)CC2)C1)CC(F)(F)F ZINC001295751184 1063758339 /nfs/dbraw/zinc/75/83/39/1063758339.db2.gz YIKJZJOJBBXNFK-FQEVSTJZSA-N 0 3 499.626 2.957 20 0 JFADHN C[C@@H]1[C@H](C)SCCN1c1nnc(Cc2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291331381 1063786985 /nfs/dbraw/zinc/78/69/85/1063786985.db2.gz IKYPLZSVRCDTDF-SVFBPWRDSA-N 0 3 471.675 2.537 20 0 JFADHN CCN(CCCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCCC2)CC1)S(C)(=O)=O ZINC001295814331 1063813730 /nfs/dbraw/zinc/81/37/30/1063813730.db2.gz KMINQUJOSKUZKF-UHFFFAOYSA-N 0 3 492.665 2.744 20 0 JFADHN CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001291341249 1063820936 /nfs/dbraw/zinc/82/09/36/1063820936.db2.gz ZYBNYKGRSIGGAV-SJLPKXTDSA-N 0 3 454.604 2.595 20 0 JFADHN CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001291342659 1063826367 /nfs/dbraw/zinc/82/63/67/1063826367.db2.gz XUSCKUPWPTUETA-VSKRKVRLSA-N 0 3 481.645 2.590 20 0 JFADHN CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001291342657 1063826443 /nfs/dbraw/zinc/82/64/43/1063826443.db2.gz XUSCKUPWPTUETA-BHIFYINESA-N 0 3 481.645 2.590 20 0 JFADHN CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCN(C)Cc2ccccc2)C1 ZINC001291345413 1063839317 /nfs/dbraw/zinc/83/93/17/1063839317.db2.gz XELRFKAOABHPLO-HSZRJFAPSA-N 0 3 461.614 2.891 20 0 JFADHN CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001291347183 1063848149 /nfs/dbraw/zinc/84/81/49/1063848149.db2.gz IAGCCQKNVCASIU-LEWJYISDSA-N 0 3 458.582 2.896 20 0 JFADHN CCN(CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)CCC(F)(F)F ZINC001295839367 1063858503 /nfs/dbraw/zinc/85/85/03/1063858503.db2.gz UMPNNWIWUZTYHJ-DOTOQJQBSA-N 0 3 453.513 2.605 20 0 JFADHN CCN(CCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCCC2=O)CC1)CCC(F)(F)F ZINC001295839831 1063859188 /nfs/dbraw/zinc/85/91/88/1063859188.db2.gz ZEVGJIMSKPKZHX-UHFFFAOYSA-N 0 3 496.582 2.934 20 0 JFADHN CCN(CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1)CCC(F)(F)F ZINC001295841369 1063859845 /nfs/dbraw/zinc/85/98/45/1063859845.db2.gz CPWIDGYYHGBQKM-LJQANCHMSA-N 0 3 498.598 2.502 20 0 JFADHN CC[C@@](C)(O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001291360999 1063872591 /nfs/dbraw/zinc/87/25/91/1063872591.db2.gz DULDBKZALYDVAY-HSZRJFAPSA-N 0 3 477.679 2.628 20 0 JFADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)C(C)C ZINC001295852682 1063877845 /nfs/dbraw/zinc/87/78/45/1063877845.db2.gz KYQDABZSJREJGL-SFHVURJKSA-N 0 3 496.628 2.515 20 0 JFADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)=C(Br)C1)C(C)C ZINC001295854094 1063882124 /nfs/dbraw/zinc/88/21/24/1063882124.db2.gz UYIPLLIKZIYPQT-MRXNPFEDSA-N 0 3 474.469 2.790 20 0 JFADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)C(C)C ZINC001295857526 1063887715 /nfs/dbraw/zinc/88/77/15/1063887715.db2.gz SBWVTMRXFQAWFK-BZUAXINKSA-N 0 3 451.559 2.545 20 0 JFADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2ccccc2)C1)C(C)C ZINC001295858503 1063889089 /nfs/dbraw/zinc/88/90/89/1063889089.db2.gz ZBXVAZBRVHCFMS-HYBUGGRVSA-N 0 3 475.659 2.663 20 0 JFADHN CCN(CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001295859775 1063890712 /nfs/dbraw/zinc/89/07/12/1063890712.db2.gz WVGCFVRGDGMTAY-IBGZPJMESA-N 0 3 451.612 2.752 20 0 JFADHN CCN(CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001295865254 1063896638 /nfs/dbraw/zinc/89/66/38/1063896638.db2.gz HKWTULBHDYSSBY-OAQYLSRUSA-N 0 3 463.648 2.828 20 0 JFADHN CCN(CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001295865297 1063896669 /nfs/dbraw/zinc/89/66/69/1063896669.db2.gz IBFSPUWPRVLVMS-IBGZPJMESA-N 0 3 470.039 2.864 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCN(C(C)C)C1 ZINC001295873342 1063910419 /nfs/dbraw/zinc/91/04/19/1063910419.db2.gz GGRNJUIJPUFBRA-LJQANCHMSA-N 0 3 463.648 2.945 20 0 JFADHN CCn1cc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCN(CCC(C)(C)C)CC2)cn1 ZINC001295934673 1063986383 /nfs/dbraw/zinc/98/63/83/1063986383.db2.gz WXLMQLHDBHPQMD-UHFFFAOYSA-N 0 3 453.639 2.963 20 0 JFADHN CC[C@H](C)c1nnc(N(C)[C@@H](C)CS(=O)(=O)CC)n1CC1(N2CCCC2)CCOCC1 ZINC001291430048 1064012202 /nfs/dbraw/zinc/01/22/02/1064012202.db2.gz SHKUOLGKDPCUSZ-OALUTQOASA-N 0 3 455.669 2.696 20 0 JFADHN C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC001295967584 1064014546 /nfs/dbraw/zinc/01/45/46/1064014546.db2.gz XQEDWXXNBUWURI-UHFFFAOYSA-N 0 3 452.580 2.945 20 0 JFADHN C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC001295967584 1064014555 /nfs/dbraw/zinc/01/45/55/1064014555.db2.gz XQEDWXXNBUWURI-UHFFFAOYSA-N 0 3 452.580 2.945 20 0 JFADHN CC[C@H](C)c1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001291434711 1064015575 /nfs/dbraw/zinc/01/55/75/1064015575.db2.gz RZPHXKNGNXTAIL-LEWJYISDSA-N 0 3 469.682 2.713 20 0 JFADHN CC[C@@H](C)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CCCN1CCN(CC)CC1 ZINC001291435258 1064015932 /nfs/dbraw/zinc/01/59/32/1064015932.db2.gz ZXVKRTZHCXXQLO-YADHBBJMSA-N 0 3 469.682 2.714 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)NC(C)C)C[C@@H]1C ZINC001295975147 1064018317 /nfs/dbraw/zinc/01/83/17/1064018317.db2.gz AMSYQGAKMGTKAR-ROUUACIJSA-N 0 3 490.052 2.695 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001295975145 1064018339 /nfs/dbraw/zinc/01/83/39/1064018339.db2.gz AMSYQGAKMGTKAR-QZTJIDSGSA-N 0 3 490.052 2.695 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCC=CO2)C[C@@H]1C ZINC001295975445 1064019158 /nfs/dbraw/zinc/01/91/58/1064019158.db2.gz DECLCTJGRNCCOW-ZJOUEHCJSA-N 0 3 488.658 2.807 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)C[C@H]1C ZINC001295976066 1064021123 /nfs/dbraw/zinc/02/11/23/1064021123.db2.gz CFEHPRSQROAWOK-AABGKKOBSA-N 0 3 488.608 2.725 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)C[C@@H]1C ZINC001295976068 1064021152 /nfs/dbraw/zinc/02/11/52/1064021152.db2.gz CFEHPRSQROAWOK-SLFFLAALSA-N 0 3 488.608 2.725 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2OCCOC)C[C@H]1C ZINC001295976613 1064022593 /nfs/dbraw/zinc/02/25/93/1064022593.db2.gz HPGSDZJQTCQCLQ-WOJBJXKFSA-N 0 3 493.612 2.918 20 0 JFADHN CC[C@@H](C)c1nnc(N(C)CCN2CCOCC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001291457307 1064023500 /nfs/dbraw/zinc/02/35/00/1064023500.db2.gz IWPROCPGDVXSSU-ISKFKSNPSA-N 0 3 470.662 2.851 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1cnccc1OC ZINC001291470124 1064030278 /nfs/dbraw/zinc/03/02/78/1064030278.db2.gz LTLORUPFHLBZCT-IPJJNNNSSA-N 0 3 469.634 2.622 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1ncccc1C ZINC001291470310 1064031106 /nfs/dbraw/zinc/03/11/06/1064031106.db2.gz OETYNTBNONFPBI-JXHRLWIKSA-N 0 3 453.635 2.922 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2C[C@](C)(O)c2ccsc2)C[C@H]1C ZINC001295981284 1064032130 /nfs/dbraw/zinc/03/21/30/1064032130.db2.gz RATJUFVLRIMZHR-MSQSPTIYSA-N 0 3 451.637 2.890 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2c(C)cccc2C)C[C@H]1C ZINC001295981803 1064033214 /nfs/dbraw/zinc/03/32/14/1064033214.db2.gz SAWTXMSGNFUEBT-AABGKKOBSA-N 0 3 478.663 2.503 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCOCC2)C[C@H]1C ZINC001295982174 1064034158 /nfs/dbraw/zinc/03/41/58/1064034158.db2.gz WMHQQJPGWRUOBB-WOJBJXKFSA-N 0 3 470.618 2.608 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2cc(C)oc2C)C[C@@H]1C ZINC001295982248 1064034806 /nfs/dbraw/zinc/03/48/06/1064034806.db2.gz WWSWNOCXGBVQTF-WOGXIUBCSA-N 0 3 458.607 2.551 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2ccccc2F)C[C@H]1C ZINC001295982472 1064035143 /nfs/dbraw/zinc/03/51/43/1064035143.db2.gz TUXCMZFNHMZBPW-FGTMMUONSA-N 0 3 466.627 2.579 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)Sc2ccccc2)C[C@@H]1C ZINC001295982455 1064035186 /nfs/dbraw/zinc/03/51/86/1064035186.db2.gz SYHUPKTZWKTPAA-VJANTYMQSA-N 0 3 480.704 2.988 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCO2)C[C@H]1C ZINC001295982798 1064036704 /nfs/dbraw/zinc/03/67/04/1064036704.db2.gz YJLJMJAPULDHCT-FUHIMQAGSA-N 0 3 461.010 2.959 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001295983158 1064037979 /nfs/dbraw/zinc/03/79/79/1064037979.db2.gz YJSLAMHKDBWRAC-SJORKVTESA-N 0 3 482.555 2.729 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cccc(C(=O)NC)c2)C[C@H]1C ZINC001295983445 1064038115 /nfs/dbraw/zinc/03/81/15/1064038115.db2.gz WEZKMFRZUCDIRN-BUEREQSYSA-N 0 3 498.672 2.840 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC001295983195 1064038468 /nfs/dbraw/zinc/03/84/68/1064038468.db2.gz YYBBHUFDDCQGOQ-OALUTQOASA-N 0 3 467.618 2.634 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)C[C@@H]1C ZINC001295983215 1064038488 /nfs/dbraw/zinc/03/84/88/1064038488.db2.gz ZKCQJYMJTCOSAX-IPJJNNNSSA-N 0 3 497.644 2.501 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc4cccnc43)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001295984430 1064041759 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2.999 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001296017263 1064078829 /nfs/dbraw/zinc/07/88/29/1064078829.db2.gz XDNDXMMQPORKAC-RBUKOAKNSA-N 0 3 491.658 2.609 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CCN2CCOCC2(C)C)C[C@@H]1C ZINC001296017308 1064079304 /nfs/dbraw/zinc/07/93/04/1064079304.db2.gz XWWIQENSQBOMPE-SFTDATJTSA-N 0 3 486.661 2.895 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291541490 1064084343 /nfs/dbraw/zinc/08/43/43/1064084343.db2.gz GKLPMDHHLXJIQX-NYVOZVTQSA-N 0 3 485.681 2.784 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291541491 1064084409 /nfs/dbraw/zinc/08/44/09/1064084409.db2.gz GKLPMDHHLXJIQX-VLCRHTCISA-N 0 3 485.681 2.784 20 0 JFADHN CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001296039266 1064099074 /nfs/dbraw/zinc/09/90/74/1064099074.db2.gz SALJFYGBLBJGQP-IRXDYDNUSA-N 0 3 452.024 2.954 20 0 JFADHN CCN1CC[C@H](Cn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)CCS(=O)(=O)CC)C1 ZINC001296040813 1064100789 /nfs/dbraw/zinc/10/07/89/1064100789.db2.gz XAFGBBUXEFQXHT-SFHVURJKSA-N 0 3 471.631 2.548 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1cc(F)cc(OC)c1 ZINC001291578188 1064102517 /nfs/dbraw/zinc/10/25/17/1064102517.db2.gz CHSWLAKSHHGKLQ-UTKZUKDTSA-N 0 3 458.582 2.730 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1cc(F)cc(OC)c1 ZINC001291578184 1064102547 /nfs/dbraw/zinc/10/25/47/1064102547.db2.gz CHSWLAKSHHGKLQ-DYESRHJHSA-N 0 3 458.582 2.730 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1ccc(OC)cc1F ZINC001291581832 1064112342 /nfs/dbraw/zinc/11/23/42/1064112342.db2.gz GNTFMWALDZRIOB-GOSISDBHSA-N 0 3 460.598 2.978 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCc1nc(C)c(C)s1 ZINC001291582171 1064113201 /nfs/dbraw/zinc/11/32/01/1064113201.db2.gz UJSORJMHNGSZCD-QFBILLFUSA-N 0 3 459.664 2.850 20 0 JFADHN CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 ZINC001296054414 1064115410 /nfs/dbraw/zinc/11/54/10/1064115410.db2.gz AVIVJUXCKKSDIU-CEMLEFRQSA-N 0 3 470.618 2.872 20 0 JFADHN CCN1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001296055221 1064116747 /nfs/dbraw/zinc/11/67/47/1064116747.db2.gz FJHLQFRYVZTOCB-ROUUACIJSA-N 0 3 484.605 2.513 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001291583980 1064117475 /nfs/dbraw/zinc/11/74/75/1064117475.db2.gz XORVXRVMGPTQEC-UXHICEINSA-N 0 3 491.681 2.697 20 0 JFADHN CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001296057401 1064119647 /nfs/dbraw/zinc/11/96/47/1064119647.db2.gz XNSUUPXBOIGHPP-HXUWFJFHSA-N 0 3 485.608 2.569 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001291590089 1064122991 /nfs/dbraw/zinc/12/29/91/1064122991.db2.gz OHLYDIYLYICSCU-OAQYLSRUSA-N 0 3 474.698 2.546 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291590460 1064123926 /nfs/dbraw/zinc/12/39/26/1064123926.db2.gz XEDHZCDLYAZQGM-PMACEKPBSA-N 0 3 491.681 2.791 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001296078917 1064145500 /nfs/dbraw/zinc/14/55/00/1064145500.db2.gz AIXYRWTTYUNQGM-CTNGQTDRSA-N 0 3 467.618 2.723 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](COc2ccccc2)C1 ZINC001296079406 1064146617 /nfs/dbraw/zinc/14/66/17/1064146617.db2.gz FXFREUPRBWPKSY-IFMALSPDSA-N 0 3 470.618 2.575 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001291620565 1064159968 /nfs/dbraw/zinc/15/99/68/1064159968.db2.gz KHWAOXKKHSISMM-IBGZPJMESA-N 0 3 454.619 2.843 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1Cc1ccc(NC(C)=O)nc1 ZINC001291622324 1064163239 /nfs/dbraw/zinc/16/32/39/1064163239.db2.gz VKKRWRFPFRJACY-ROUUACIJSA-N 0 3 455.607 2.883 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001291638991 1064186507 /nfs/dbraw/zinc/18/65/07/1064186507.db2.gz LBXOGSZIGLOETM-DENIHFKCSA-N 0 3 475.659 2.543 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(Cc3cscn3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291639038 1064186860 /nfs/dbraw/zinc/18/68/60/1064186860.db2.gz OVGAZYWHTOASTP-CTNGQTDRSA-N 0 3 488.706 2.513 20 0 JFADHN CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)cc1 ZINC001291640202 1064188960 /nfs/dbraw/zinc/18/89/60/1064188960.db2.gz BPNXUSOOVFXHRS-UHFFFAOYSA-N 0 3 457.596 2.747 20 0 JFADHN CN1C(=O)C[C@H](C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)[C@H]1c1cccc(F)c1 ZINC001291641792 1064191426 /nfs/dbraw/zinc/19/14/26/1064191426.db2.gz SUHIIJSIJKKWSM-JTHBVZDNSA-N 0 3 452.530 2.681 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(CCOC)[C@@H](C)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 ZINC001291642594 1064192406 /nfs/dbraw/zinc/19/24/06/1064192406.db2.gz LPUHSATYTUDIJA-VXKWHMMOSA-N 0 3 484.693 2.534 20 0 JFADHN CCN(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCCN(CC)C(=O)C1)c1ccco1 ZINC001296113551 1064195386 /nfs/dbraw/zinc/19/53/86/1064195386.db2.gz VLQJIRRJPLTTCQ-NRFANRHFSA-N 0 3 465.602 2.999 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1C[C@@H](c1ccccc1)N(C)C ZINC001291652433 1064205521 /nfs/dbraw/zinc/20/55/21/1064205521.db2.gz SFWMIZYFGQEOOG-YSIASYRMSA-N 0 3 453.591 2.567 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001296120338 1064209505 /nfs/dbraw/zinc/20/95/05/1064209505.db2.gz HNYITWJQNJBMIR-VIZSFHNOSA-N 0 3 456.635 2.841 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001296121056 1064211754 /nfs/dbraw/zinc/21/17/54/1064211754.db2.gz MQLTZCTZLLDUFV-GOSISDBHSA-N 0 3 474.053 2.716 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296122262 1064214221 /nfs/dbraw/zinc/21/42/21/1064214221.db2.gz UXXYOSXIORRAMS-PMACEKPBSA-N 0 3 463.671 2.873 20 0 JFADHN CCN(CC1CCN(c2ccccn2)CC1)c1nnc(C)n1C[C@H](C)N1CCN(CC)CC1 ZINC001296122476 1064215119 /nfs/dbraw/zinc/21/51/19/1064215119.db2.gz WKWNVVMRFXTWFS-NRFANRHFSA-N 0 3 454.667 2.750 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296122630 1064215345 /nfs/dbraw/zinc/21/53/45/1064215345.db2.gz YUQXMIZEXVAHIZ-VQTJNVASSA-N 0 3 463.671 2.873 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CCC(CCCO)CC2)CC1 ZINC001296122593 1064215368 /nfs/dbraw/zinc/21/53/68/1064215368.db2.gz YHAJCRUMYALTCD-OAQYLSRUSA-N 0 3 470.662 2.969 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(CC(=O)N3CCCC3)CC2)CC1 ZINC001296122600 1064215443 /nfs/dbraw/zinc/21/54/43/1064215443.db2.gz YKHDTFYQEAKWAH-NRFANRHFSA-N 0 3 459.683 2.656 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCSC[C@@H]2C)CC1 ZINC001296124341 1064217117 /nfs/dbraw/zinc/21/71/17/1064217117.db2.gz GXUIYTIBGPDURG-MOPGFXCFSA-N 0 3 474.675 2.930 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3C)nnc2N2C[C@@H](C)O[C@@H](COC)C2)CC1 ZINC001296124881 1064217944 /nfs/dbraw/zinc/21/79/44/1064217944.db2.gz KFENFFLPIPZVHN-YPAWHYETSA-N 0 3 456.635 2.520 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001296125565 1064219319 /nfs/dbraw/zinc/21/93/19/1064219319.db2.gz MTZRCSHKVUREES-GOSISDBHSA-N 0 3 453.591 2.913 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296126024 1064219634 /nfs/dbraw/zinc/21/96/34/1064219634.db2.gz OQXWXVGXPSJGIJ-ROUUACIJSA-N 0 3 477.451 2.959 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H](COC)C2)CC1 ZINC001296126075 1064220075 /nfs/dbraw/zinc/22/00/75/1064220075.db2.gz PESCVULLQVOMRF-SFTDATJTSA-N 0 3 456.635 2.843 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001296127632 1064221920 /nfs/dbraw/zinc/22/19/20/1064221920.db2.gz VWXDPZGDNVRTED-FQEVSTJZSA-N 0 3 479.595 2.964 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296128047 1064222351 /nfs/dbraw/zinc/22/23/51/1064222351.db2.gz XJDOERKBFNNASU-SFTDATJTSA-N 0 3 498.676 2.812 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)CCOc2ccc(C)cc2)CC1 ZINC001296129608 1064222810 /nfs/dbraw/zinc/22/28/10/1064222810.db2.gz AYJPWFCPULZGOJ-FGZHOGPDSA-N 0 3 456.635 2.632 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001296130056 1064223617 /nfs/dbraw/zinc/22/36/17/1064223617.db2.gz BDGHESDDPJNPLB-SFHVURJKSA-N 0 3 454.648 2.691 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CCOc2ccc(F)cc2)CC1 ZINC001296130807 1064224595 /nfs/dbraw/zinc/22/45/95/1064224595.db2.gz GMCLSZAXOGXBMS-IBGZPJMESA-N 0 3 455.582 2.954 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC001296131188 1064224958 /nfs/dbraw/zinc/22/49/58/1064224958.db2.gz HZBKQZPBYQEOET-RTBURBONSA-N 0 3 488.633 2.602 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)CCc2nccs2)CC1 ZINC001296131252 1064225396 /nfs/dbraw/zinc/22/53/96/1064225396.db2.gz IHONUPRVWOBUHE-QGZVFWFLSA-N 0 3 474.704 2.795 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3nc(C)cc(C)n3)CC2)CC1 ZINC001296131631 1064226458 /nfs/dbraw/zinc/22/64/58/1064226458.db2.gz MKJMAQXOJYTRED-JOCHJYFZSA-N 0 3 483.709 2.626 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(C)(c3nc(C)no3)CC2)CC1 ZINC001296131559 1064226575 /nfs/dbraw/zinc/22/65/75/1064226575.db2.gz LRZAFTBSIQVVAD-IBGZPJMESA-N 0 3 458.655 2.752 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)Cc3ccccc3)CC2)CC1 ZINC001296131986 1064227990 /nfs/dbraw/zinc/22/79/90/1064227990.db2.gz PHLRCKKXEUUTSK-QHCPKHFHSA-N 0 3 495.716 2.784 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC001296132214 1064228791 /nfs/dbraw/zinc/22/87/91/1064228791.db2.gz PSAWOOKZAUQXGK-FDDCHVKYSA-N 0 3 495.594 2.896 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001296132635 1064231146 /nfs/dbraw/zinc/23/11/46/1064231146.db2.gz CGIPUOCPSBWRDX-XZOQPEGZSA-N 0 3 497.688 2.557 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC1 ZINC001296132698 1064231574 /nfs/dbraw/zinc/23/15/74/1064231574.db2.gz VBUMWXPWASBIQY-RNHFSVANSA-N 0 3 475.682 2.606 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001296132786 1064231646 /nfs/dbraw/zinc/23/16/46/1064231646.db2.gz RTODUPXOLJHQKH-JXFKEZNVSA-N 0 3 478.016 2.684 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001296133592 1064234073 /nfs/dbraw/zinc/23/40/73/1064234073.db2.gz JKANICGOYDVWGX-QFIPXVFZSA-N 0 3 499.704 2.851 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(C3CCC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001296134252 1064235285 /nfs/dbraw/zinc/23/52/85/1064235285.db2.gz XMYLWBHHCBIKOJ-KRWDZBQOSA-N 0 3 475.579 2.594 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(N3CCC[C@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296135133 1064238471 /nfs/dbraw/zinc/23/84/71/1064238471.db2.gz WMBLJYMYDCCQCH-NQIIRXRSSA-N 0 3 457.671 2.651 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296135207 1064238785 /nfs/dbraw/zinc/23/87/85/1064238785.db2.gz XFPJHMAXPBXRBQ-OAQYLSRUSA-N 0 3 484.645 2.581 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001296135266 1064239265 /nfs/dbraw/zinc/23/92/65/1064239265.db2.gz XRVRAJIAARUNKW-GUDVDZBRSA-N 0 3 491.731 2.626 20 0 JFADHN CC[C@H](C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC001291760867 1064242234 /nfs/dbraw/zinc/24/22/34/1064242234.db2.gz OGZCCOBQANBVND-LVCYWYKZSA-N 0 3 463.648 2.940 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001296136791 1064242835 /nfs/dbraw/zinc/24/28/35/1064242835.db2.gz LJPJMHLTRIGDJR-BHDDXSALSA-N 0 3 489.709 2.534 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@H]2CC=CCC2)CC1 ZINC001296138417 1064244999 /nfs/dbraw/zinc/24/49/99/1064244999.db2.gz WNQXCTNYIMKMSG-MLCQCVOFSA-N 0 3 460.667 2.821 20 0 JFADHN CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCn2ccnc2C)C[C@H]1C ZINC001296145163 1064255573 /nfs/dbraw/zinc/25/55/73/1064255573.db2.gz XEMDRRDJEPBSHQ-QGZVFWFLSA-N 0 3 469.590 2.706 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001291773415 1064258480 /nfs/dbraw/zinc/25/84/80/1064258480.db2.gz HIFDURPPYQZQHI-GMAHTHKFSA-N 0 3 488.702 2.623 20 0 JFADHN CC[C@@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)ccc1F ZINC001291775336 1064264057 /nfs/dbraw/zinc/26/40/57/1064264057.db2.gz WIFFHQFKDKQGBO-MSOLQXFVSA-N 0 3 451.612 2.994 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)ccc1F ZINC001291775341 1064264450 /nfs/dbraw/zinc/26/44/50/1064264450.db2.gz WIFFHQFKDKQGBO-ZWKOTPCHSA-N 0 3 451.612 2.994 20 0 JFADHN CC[C@H](C)N(C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001291782290 1064270564 /nfs/dbraw/zinc/27/05/64/1064270564.db2.gz CKIPCUPATMQJRM-QFBILLFUSA-N 0 3 470.039 2.864 20 0 JFADHN CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCCN2CCOCC2)C[C@@H]1C ZINC001296162778 1064276173 /nfs/dbraw/zinc/27/61/73/1064276173.db2.gz PJUOYTLLVHQANI-NRFANRHFSA-N 0 3 456.635 2.520 20 0 JFADHN CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@@H](OC)C(C)C)C[C@H]1C ZINC001296165429 1064284872 /nfs/dbraw/zinc/28/48/72/1064284872.db2.gz JJGAWQFURJHSQJ-ILBGXUMGSA-N 0 3 483.705 2.844 20 0 JFADHN CC[C@H](C)NC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)c1 ZINC001291794644 1064296713 /nfs/dbraw/zinc/29/67/13/1064296713.db2.gz VATUACPRXUAXFI-OZIGNCPNSA-N 0 3 481.645 2.725 20 0 JFADHN CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)CN2CCOCC2)C[C@@H]1C ZINC001296173926 1064299794 /nfs/dbraw/zinc/29/97/94/1064299794.db2.gz MUZKQWVHNPWQQP-REWPJTCUSA-N 0 3 470.662 2.973 20 0 JFADHN 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CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001292113485 1064823492 /nfs/dbraw/zinc/82/34/92/1064823492.db2.gz KBHKAEMUYYPQQQ-OAQYLSRUSA-N 0 3 485.633 2.696 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccn3)CC2)n1C[C@H]1CCCCN1CC ZINC001292115898 1064835142 /nfs/dbraw/zinc/83/51/42/1064835142.db2.gz NDKHNVLYXJPGAU-OAQYLSRUSA-N 0 3 468.650 2.793 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C)cc3)CC2)n1CCN1CCCC1 ZINC001292116248 1064837003 /nfs/dbraw/zinc/83/70/03/1064837003.db2.gz PVUWHWSGXKHYGI-UHFFFAOYSA-N 0 3 453.635 2.927 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C)CC2)n1C[C@H](C)N1CCC(C)CC1 ZINC001292121661 1064852473 /nfs/dbraw/zinc/85/24/73/1064852473.db2.gz DREGYXZHTCOGKE-FQEVSTJZSA-N 0 3 497.692 2.742 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCc1cccc(OC)c1 ZINC001292125187 1064867947 /nfs/dbraw/zinc/86/79/47/1064867947.db2.gz KHZMUUFSYATMQC-UHFFFAOYSA-N 0 3 484.645 2.749 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCc1cccc(F)c1 ZINC001292125777 1064871724 /nfs/dbraw/zinc/87/17/24/1064871724.db2.gz GBHSIOYCYZHATI-FQEVSTJZSA-N 0 3 472.609 2.737 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1csc(C)c1 ZINC001292126186 1064874462 /nfs/dbraw/zinc/87/44/62/1064874462.db2.gz JLIRXXLCGQZSPH-SFHVURJKSA-N 0 3 460.648 2.773 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCSC(F)(F)F ZINC001292126659 1064876911 /nfs/dbraw/zinc/87/69/11/1064876911.db2.gz NFEKTJILAAYCIS-OAHLLOKOSA-N 0 3 478.585 2.608 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1ccc(O)cc1 ZINC001292127182 1064880848 /nfs/dbraw/zinc/88/08/48/1064880848.db2.gz YZQCOCKQQAWBED-GOSISDBHSA-N 0 3 470.618 2.640 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nccs3)C2)n1CCN1CCC[C@H](C)C1 ZINC001292145252 1064918528 /nfs/dbraw/zinc/91/85/28/1064918528.db2.gz SQEJBKRCCNAEJL-HKUYNNGSSA-N 0 3 475.663 2.963 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](CC)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001292146552 1064924102 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AIVOWJHPIUOOJF-UHFFFAOYSA-N 0 3 454.619 2.866 20 0 JFADHN CCc1nc(CCn2c(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)nnc2C(C)(C)C)cs1 ZINC001292720254 1065480046 /nfs/dbraw/zinc/48/00/46/1065480046.db2.gz FFSBUCQMMQYMKP-SFHVURJKSA-N 0 3 459.664 2.580 20 0 JFADHN CCc1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC001292850117 1065575667 /nfs/dbraw/zinc/57/56/67/1065575667.db2.gz WKDZGGCKZCANOY-SFHVURJKSA-N 0 3 473.576 2.544 20 0 JFADHN CCc1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001292875014 1065582091 /nfs/dbraw/zinc/58/20/91/1065582091.db2.gz USLPIVOQRSWONX-SFHVURJKSA-N 0 3 452.607 2.542 20 0 JFADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCOc1ccccc1C ZINC001292892391 1065589668 /nfs/dbraw/zinc/58/96/68/1065589668.db2.gz CTKSBHYUTTZFJP-UNMCSNQZSA-N 0 3 454.619 2.607 20 0 JFADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001292892768 1065591424 /nfs/dbraw/zinc/59/14/24/1065591424.db2.gz HZRKWWNRJMDIDF-YZUZCNPQSA-N 0 3 467.662 2.744 20 0 JFADHN CCc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1C[C@H](c1ccco1)N(CC)CC ZINC001292921782 1065607064 /nfs/dbraw/zinc/60/70/64/1065607064.db2.gz COFBOSSOUHJOGP-HXUWFJFHSA-N 0 3 458.607 2.592 20 0 JFADHN CCc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001292932625 1065622646 /nfs/dbraw/zinc/62/26/46/1065622646.db2.gz WXSJATYMLIRJMU-HSALFYBXSA-N 0 3 491.681 2.523 20 0 JFADHN CCc1nnc(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001292951624 1065632349 /nfs/dbraw/zinc/63/23/49/1065632349.db2.gz KAYZZSIVKAKVAS-JOCHJYFZSA-N 0 3 487.718 2.976 20 0 JFADHN CCN1CCN(C[C@H](C)CNC(=O)c2nn(-c3ccccc3F)cc2Br)CC1 ZINC001292957490 1065635268 /nfs/dbraw/zinc/63/52/68/1065635268.db2.gz APSHOBIVEULOOO-OAHLLOKOSA-N 0 3 452.372 2.777 20 0 JFADHN CCn1c(SCC(=O)NC[C@H](C)CN2CCN(C)CC2)nnc1-c1ccc(Cl)cc1 ZINC001292957555 1065635395 /nfs/dbraw/zinc/63/53/95/1065635395.db2.gz CBKQMRNYRZAGMH-INIZCTEOSA-N 0 3 451.040 2.710 20 0 JFADHN CCN1CCN(C[C@H](C)CNC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC1 ZINC001292959006 1065637011 /nfs/dbraw/zinc/63/70/11/1065637011.db2.gz OYYRNIRAGXJFRY-XGCWNURASA-N 0 3 458.466 2.727 20 0 JFADHN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC001292959317 1065637795 /nfs/dbraw/zinc/63/77/95/1065637795.db2.gz UQSQQORJLQLYTJ-FQEVSTJZSA-N 0 3 458.628 2.515 20 0 JFADHN CCc1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001292961063 1065641134 /nfs/dbraw/zinc/64/11/34/1065641134.db2.gz RUIMDNXBDGXUHN-QFIPXVFZSA-N 0 3 470.666 2.513 20 0 JFADHN CCc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@@H](c1ccsc1)N(CC)CC ZINC001293036984 1065706440 /nfs/dbraw/zinc/70/64/40/1065706440.db2.gz RRWAKPIVEFELIH-PMACEKPBSA-N 0 3 480.704 2.989 20 0 JFADHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)CC1 ZINC001293082495 1065732390 /nfs/dbraw/zinc/73/23/90/1065732390.db2.gz KBZWSKAYJHEKQB-UHFFFAOYSA-N 0 3 451.493 2.576 20 0 JFADHN CCc1noc(C)c1Cn1c(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001293206919 1065833119 /nfs/dbraw/zinc/83/31/19/1065833119.db2.gz OOWSJMOGXUAVDG-VGOFRKELSA-N 0 3 471.650 2.862 20 0 JFADHN CCc1noc(C)c1Cn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001293206917 1065833157 /nfs/dbraw/zinc/83/31/57/1065833157.db2.gz OOWSJMOGXUAVDG-HTAPYJJXSA-N 0 3 471.650 2.862 20 0 JFADHN CC[C@@H]1C[C@H](C)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001293298738 1065939766 /nfs/dbraw/zinc/93/97/66/1065939766.db2.gz QWPRIAVXHRXMQR-MHYXUVESSA-N 0 3 478.663 2.825 20 0 JFADHN O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)cc1 ZINC001293383130 1065985298 /nfs/dbraw/zinc/98/52/98/1065985298.db2.gz NQSZTAMNLKAXCY-HXUWFJFHSA-N 0 3 455.603 2.815 20 0 JFADHN CN1CCN(CCN(Cc2ccc(Br)cc2F)C(=O)[C@@H]2CCCCN2C)CC1 ZINC001293382818 1065985457 /nfs/dbraw/zinc/98/54/57/1065985457.db2.gz HOONQAVHSZDYNL-FQEVSTJZSA-N 0 3 455.416 2.649 20 0 JFADHN CCC1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001293490081 1066025143 /nfs/dbraw/zinc/02/51/43/1066025143.db2.gz XUPRZBYNIJMCLM-QFIPXVFZSA-N 0 3 453.635 2.833 20 0 JFADHN CC1CCC(N2CCN(C(=O)[C@H]3[C@@H]4C(=O)N(CC(F)(F)F)C(=O)[C@H]4C=C[C@H]3C)CC2)CC1 ZINC001293495187 1066025893 /nfs/dbraw/zinc/02/58/93/1066025893.db2.gz BOIXHSNKNZBTSM-NIXGDYPTSA-N 0 3 455.521 2.695 20 0 JFADHN CC1CCC(N2CCN(C(=O)[C@H]3[C@@H]4C(=O)N(CC(F)(F)F)C(=O)[C@@H]4C=C[C@H]3C)CC2)CC1 ZINC001293495189 1066025935 /nfs/dbraw/zinc/02/59/35/1066025935.db2.gz BOIXHSNKNZBTSM-VXTXFWRUSA-N 0 3 455.521 2.695 20 0 JFADHN CC[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN(C)CCOC)C1 ZINC001293508927 1066033016 /nfs/dbraw/zinc/03/30/16/1066033016.db2.gz WVFQOGMQTCNJKW-QRVBRYPASA-N 0 3 450.628 2.863 20 0 JFADHN O=C(NCCN1CCCC1)c1ccc(CNC(=O)c2ccc(OCC(F)(F)F)cn2)cc1 ZINC001293558893 1066072791 /nfs/dbraw/zinc/07/27/91/1066072791.db2.gz WAVMXOFPLYQALP-UHFFFAOYSA-N 0 3 450.461 2.778 20 0 JFADHN CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H](C(C)C)N2CCOCC2)CCN1CCOC ZINC001293560319 1066074504 /nfs/dbraw/zinc/07/45/04/1066074504.db2.gz JEIJEMKZENBGDH-DNQXCXABSA-N 0 3 470.662 2.849 20 0 JFADHN CC[C@H]1CN(c2nnc(-c3ccccc3)n2CCN2CCOCC2(C)C)CCN1CCOC ZINC001293559738 1066074578 /nfs/dbraw/zinc/07/45/78/1066074578.db2.gz FKSPWELZEFLMDD-QFIPXVFZSA-N 0 3 456.635 2.603 20 0 JFADHN CC[C@@H]1CN(c2nnc(C3CCCC3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CCN1CCOC ZINC001293588192 1066096595 /nfs/dbraw/zinc/09/65/95/1066096595.db2.gz USFTYVHLSULDRO-FUPPJEDESA-N 0 3 462.683 2.982 20 0 JFADHN CC[C@H]1CN(c2nnc(C3CCCC3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CCN1CCOC ZINC001293588197 1066096682 /nfs/dbraw/zinc/09/66/82/1066096682.db2.gz USFTYVHLSULDRO-XJUOHMSHSA-N 0 3 462.683 2.982 20 0 JFADHN CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC001293603097 1066119496 /nfs/dbraw/zinc/11/94/96/1066119496.db2.gz SYTHXBLARHDXDZ-ACESQOTJSA-N 0 3 476.710 2.913 20 0 JFADHN CC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)CN2CCN(CC)CC2)CCO1 ZINC001293609692 1066124761 /nfs/dbraw/zinc/12/47/61/1066124761.db2.gz AEILMGOEEYMJBI-NFBKMPQASA-N 0 3 458.626 2.897 20 0 JFADHN CC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(C)Cc2ccc(F)cc2)CCO1 ZINC001293658433 1066167494 /nfs/dbraw/zinc/16/74/94/1066167494.db2.gz ILHBGSKOWXIHCR-NNWRFLSQSA-N 0 3 461.582 2.888 20 0 JFADHN CC/C=C\Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001293683466 1066173978 /nfs/dbraw/zinc/17/39/78/1066173978.db2.gz QIDATRZUYROAPC-NGXITPROSA-N 0 3 468.602 2.671 20 0 JFADHN CC/C=C\Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001293724312 1066184219 /nfs/dbraw/zinc/18/42/19/1066184219.db2.gz DBEAFYCKNZHUOR-UTCJRWHESA-N 0 3 456.566 2.707 20 0 JFADHN CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001293744105 1066212220 /nfs/dbraw/zinc/21/22/20/1066212220.db2.gz VXTWBDOUHLKNED-FGZHOGPDSA-N 0 3 497.688 2.865 20 0 JFADHN CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001293744106 1066212611 /nfs/dbraw/zinc/21/26/11/1066212611.db2.gz VXTWBDOUHLKNED-VXKWHMMOSA-N 0 3 497.688 2.865 20 0 JFADHN CCC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001293804351 1066313825 /nfs/dbraw/zinc/31/38/25/1066313825.db2.gz BIOIRQNHERGLEL-XXBNENTESA-N 0 3 462.042 2.761 20 0 JFADHN CCC[C@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001293809709 1066320477 /nfs/dbraw/zinc/32/04/77/1066320477.db2.gz PVAAQWZSGYSOLL-CLOONOSVSA-N 0 3 473.618 2.672 20 0 JFADHN CCC[C@@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001293809711 1066320554 /nfs/dbraw/zinc/32/05/54/1066320554.db2.gz PVAAQWZSGYSOLL-KBMIEXCESA-N 0 3 473.618 2.672 20 0 JFADHN CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001293822513 1066330282 /nfs/dbraw/zinc/33/02/82/1066330282.db2.gz VALQIDBXOKXZLE-CNPGNWEMSA-N 0 3 483.661 2.579 20 0 JFADHN C[C@@H]1Oc2ccccc2N(CCC(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1=O ZINC001293845256 1066347949 /nfs/dbraw/zinc/34/79/49/1066347949.db2.gz LHIFSQYNXWTPEO-SFHVURJKSA-N 0 3 455.530 2.989 20 0 JFADHN CCC[C@@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001293847431 1066349800 /nfs/dbraw/zinc/34/98/00/1066349800.db2.gz KLEYTWSNVTZFOS-ATKRNPRHSA-N 0 3 487.693 2.767 20 0 JFADHN CCC[C@@H](C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001293863024 1066373134 /nfs/dbraw/zinc/37/31/34/1066373134.db2.gz YTOTUJJMRWFQKW-HXUWFJFHSA-N 0 3 486.636 2.861 20 0 JFADHN CCC[C@@H](C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001293866130 1066376590 /nfs/dbraw/zinc/37/65/90/1066376590.db2.gz XBEIRFCXDUVNJS-RZUBCFFCSA-N 0 3 476.666 2.762 20 0 JFADHN CCC[C@@H](C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001293868644 1066381439 /nfs/dbraw/zinc/38/14/39/1066381439.db2.gz PKWQFRZHJQMGBL-NHCUHLMSSA-N 0 3 483.661 2.506 20 0 JFADHN Cc1c(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)nnn1Cc1ccncc1 ZINC001293911290 1066397648 /nfs/dbraw/zinc/39/76/48/1066397648.db2.gz FVCFGWGLZFJTLM-UHFFFAOYSA-N 0 3 454.962 2.956 20 0 JFADHN CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCN2CC)C1 ZINC001293930570 1066408951 /nfs/dbraw/zinc/40/89/51/1066408951.db2.gz CTFXRFYFLALXSC-ACRUOGEOSA-N 0 3 475.682 2.812 20 0 JFADHN C[C@@H](C(=O)NCc1ccccc1CN1CCC(O)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC001294000050 1066501963 /nfs/dbraw/zinc/50/19/63/1066501963.db2.gz RABKFRHICRRHPP-FQEVSTJZSA-N 0 3 454.590 2.609 20 0 JFADHN CCCC(O)(CCC)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001294007312 1066505840 /nfs/dbraw/zinc/50/58/40/1066505840.db2.gz SHJDGVSLISOCQK-UHFFFAOYSA-N 0 3 456.635 2.896 20 0 JFADHN CCC[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCCC2)CCO1 ZINC001294056197 1066530389 /nfs/dbraw/zinc/53/03/89/1066530389.db2.gz ZZIUAACIUIOFCA-HXUWFJFHSA-N 0 3 461.010 2.963 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccc(C(=O)NC)c2)CCN1CCOC ZINC001294073115 1066542053 /nfs/dbraw/zinc/54/20/53/1066542053.db2.gz KBHOWXSEDPDZGP-JOCHJYFZSA-N 0 3 477.613 2.685 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H]2CCO[C@H]2C(C)C)CCN1CCOC ZINC001294075508 1066544642 /nfs/dbraw/zinc/54/46/42/1066544642.db2.gz ADWOLNQBLPTJHJ-VWPQPMDRSA-N 0 3 457.623 2.733 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc([C@@H](C)O)cc2)CCN1CCOC ZINC001294077879 1066547423 /nfs/dbraw/zinc/54/74/23/1066547423.db2.gz TVMXGLCEBIBGAT-KNQAVFIVSA-N 0 3 465.602 2.774 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCc2ccn(C)n2)CCN1CCOC ZINC001294080901 1066549082 /nfs/dbraw/zinc/54/90/82/1066549082.db2.gz GRWKEYSSGSESRS-NRFANRHFSA-N 0 3 452.607 2.562 20 0 JFADHN CC(C)N(C)Cc1nn([C@@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)c2c1CCNC2 ZINC001164679591 719635963 /nfs/dbraw/zinc/63/59/63/719635963.db2.gz IEEDDJZLSRRWLQ-QHCPKHFHSA-N 0 3 491.015 2.836 20 0 JFADHN COc1ccc(Cn2cc3[nH]c(-n4nc(CN(C)C(C)C)c5c4CNCC5)ccc-3c2=O)cc1 ZINC001164679773 719636805 /nfs/dbraw/zinc/63/68/05/719636805.db2.gz MRFXJNBZWJJDRI-UHFFFAOYSA-N 0 3 460.582 2.918 20 0 JFADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)CC3)CC2 ZINC001164683168 719704820 /nfs/dbraw/zinc/70/48/20/719704820.db2.gz IVPPABSJCCZIQM-UHFFFAOYSA-N 0 3 469.033 2.869 20 0 JFADHN CNC(=O)CN1CCCC12CCN(c1ncccc1C(=O)NCCSCc1ccco1)CC2 ZINC001164686506 719727854 /nfs/dbraw/zinc/72/78/54/719727854.db2.gz OVCORJFNFFBKJR-UHFFFAOYSA-N 0 3 471.627 2.519 20 0 JFADHN O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164724333 720362829 /nfs/dbraw/zinc/36/28/29/720362829.db2.gz JROPQNDERSRKPI-YADHBBJMSA-N 0 3 460.563 2.917 20 0 JFADHN C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn2)C1 ZINC001164732576 720528809 /nfs/dbraw/zinc/52/88/09/720528809.db2.gz FFQVHNUZNZVARF-OAHLLOKOSA-N 0 3 462.526 2.555 20 0 JFADHN Clc1nc2c(ncn2Cc2ccccc2)c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740077 720662855 /nfs/dbraw/zinc/66/28/55/720662855.db2.gz PNTXAALTZSPVTC-ZWKOTPCHSA-N 0 3 462.945 2.660 20 0 JFADHN CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743876 720688063 /nfs/dbraw/zinc/68/80/63/720688063.db2.gz YNUUADSMEHUSIY-CABCVRRESA-N 0 3 454.918 2.592 20 0 JFADHN CCOC(=O)c1sc2nc(C)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164746433 720757532 /nfs/dbraw/zinc/75/75/32/720757532.db2.gz YBQSAGXNSNFXKR-HOTGVXAUSA-N 0 3 454.556 2.617 20 0 JFADHN CCOC(=O)c1sc2nc(C)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164746432 720758505 /nfs/dbraw/zinc/75/85/05/720758505.db2.gz YBQSAGXNSNFXKR-CVEARBPZSA-N 0 3 454.556 2.617 20 0 JFADHN CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c21 ZINC001164764462 721075542 /nfs/dbraw/zinc/07/55/42/721075542.db2.gz HUAJXEOUMRKIOL-MOPGFXCFSA-N 0 3 459.554 2.751 20 0 JFADHN CC[C@@H]1C(=O)N(C)c2cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2N1C1CCCC1 ZINC001164867341 721087885 /nfs/dbraw/zinc/08/78/85/721087885.db2.gz YDBQQKCSMPWVLX-YTFSRNRJSA-N 0 3 491.640 2.855 20 0 JFADHN CCOC(Cc1c(Cl)ncnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1)OCC ZINC001164866348 721088725 /nfs/dbraw/zinc/08/87/25/721088725.db2.gz SODBSDSUVWOYOL-RBUKOAKNSA-N 0 3 461.994 2.946 20 0 JFADHN Fc1ccccc1Cn1cnc2c1ncnc2N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865382 721107172 /nfs/dbraw/zinc/10/71/72/721107172.db2.gz KRBVUCUKZKCINK-LEWJYISDSA-N 0 3 459.529 2.888 20 0 JFADHN Cc1cc2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164863535 721109075 /nfs/dbraw/zinc/10/90/75/721109075.db2.gz CSMQYVTVBKJYPV-WOJBJXKFSA-N 0 3 466.611 2.711 20 0 JFADHN CS(=O)(=O)c1ccc(Oc2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164875474 721125032 /nfs/dbraw/zinc/12/50/32/721125032.db2.gz LQTIYMJLRYSDRO-TZIWHRDSSA-N 0 3 481.578 2.547 20 0 JFADHN CS(=O)(=O)c1ccc(Oc2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164875470 721125336 /nfs/dbraw/zinc/12/53/36/721125336.db2.gz LQTIYMJLRYSDRO-PZJWPPBQSA-N 0 3 481.578 2.547 20 0 JFADHN O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc21 ZINC001164877608 721133798 /nfs/dbraw/zinc/13/37/98/721133798.db2.gz OZVLRNYSIBYBDA-YADHBBJMSA-N 0 3 490.589 2.543 20 0 JFADHN O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc21 ZINC001164877607 721135068 /nfs/dbraw/zinc/13/50/68/721135068.db2.gz OZVLRNYSIBYBDA-VXKWHMMOSA-N 0 3 490.589 2.543 20 0 JFADHN CN(C)C(=O)c1cc2cnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nc2n1C1CCCC1 ZINC001164764904 721135144 /nfs/dbraw/zinc/13/51/44/721135144.db2.gz ILPXPPMRRVBFMX-FPOVZHCZSA-N 0 3 476.629 2.940 20 0 JFADHN Cn1cc(CN2CC[C@@H]3CN(c4ncccc4C(=O)N4CCN(Cc5ccccc5)CC4)C[C@H]3C2)cn1 ZINC001164762090 721162632 /nfs/dbraw/zinc/16/26/32/721162632.db2.gz BWNRKNPDBSGASU-CLJLJLNGSA-N 0 3 499.663 2.731 20 0 JFADHN CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC[C@]4(C3)COCCN(Cc3c(C)noc3C)C4)c12 ZINC001164776472 721340209 /nfs/dbraw/zinc/34/02/09/721340209.db2.gz BYMUDMSNDDHRRM-DEOSSOPVSA-N 0 3 468.558 2.858 20 0 JFADHN CCOC(=O)c1c[nH]c2ncnc(N3CCC[C@]4(C3)COCCN(Cc3c(C)noc3C)C4)c12 ZINC001164776472 721340215 /nfs/dbraw/zinc/34/02/15/721340215.db2.gz BYMUDMSNDDHRRM-DEOSSOPVSA-N 0 3 468.558 2.858 20 0 JFADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5c4ccn5COC(=O)C(C)(C)C)C3)O2)CC1 ZINC001164891991 721412290 /nfs/dbraw/zinc/41/22/90/721412290.db2.gz XUAZNJVZHRVJOF-RXFWQSSRSA-N 0 3 484.645 2.744 20 0 JFADHN COC(=O)C[C@H](c1ccnc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c1)C1CC1 ZINC001164891558 721431481 /nfs/dbraw/zinc/43/14/81/721431481.db2.gz GWJDZSIVYKSXTM-MVERNJQCSA-N 0 3 456.631 2.904 20 0 JFADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C3)O2)CC1 ZINC001164888685 721439105 /nfs/dbraw/zinc/43/91/05/721439105.db2.gz AIQGILWBPIBQFN-YWZLYKJASA-N 0 3 454.953 2.922 20 0 JFADHN CCOC(=O)c1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1C(=O)OCC ZINC001164908703 721567767 /nfs/dbraw/zinc/56/77/67/721567767.db2.gz RSTPKKBRYMEBJJ-HKUYNNGSSA-N 0 3 457.502 2.916 20 0 JFADHN CCOC(=O)c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1C(=O)OCC ZINC001164908706 721567880 /nfs/dbraw/zinc/56/78/80/721567880.db2.gz RSTPKKBRYMEBJJ-IEBWSBKVSA-N 0 3 457.502 2.916 20 0 JFADHN COC(=O)C1CCN(c2ccnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)n2)CC1 ZINC001164908136 721715210 /nfs/dbraw/zinc/71/52/10/721715210.db2.gz VYRYHCINGVXTRI-DEOSSOPVSA-N 0 3 486.567 2.999 20 0 JFADHN c1cc(CN2CCOCC3(CCN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC3)C2)ccn1 ZINC001164959991 722059239 /nfs/dbraw/zinc/05/92/39/722059239.db2.gz BQJXNXGRJDLFIJ-UHFFFAOYSA-N 0 3 478.645 2.586 20 0 JFADHN NC(=O)c1ccc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164976471 722101541 /nfs/dbraw/zinc/10/15/41/722101541.db2.gz DJRZSDBFNLCQJA-DOTOQJQBSA-N 0 3 451.905 2.501 20 0 JFADHN Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982698 722125155 /nfs/dbraw/zinc/12/51/55/722125155.db2.gz XSOPVADRLWCLLK-QZTJIDSGSA-N 0 3 479.412 2.742 20 0 JFADHN COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164981894 722127610 /nfs/dbraw/zinc/12/76/10/722127610.db2.gz VKDMSFJGAZIKDA-QAPCUYQASA-N 0 3 456.934 2.520 20 0 JFADHN NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983844 722136517 /nfs/dbraw/zinc/13/65/17/722136517.db2.gz VRURBASIQXQLLW-MAUKXSAKSA-N 0 3 451.905 2.501 20 0 JFADHN c1ccc(N2CCN(c3ccc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)nn3)CC2)cc1 ZINC001164984232 722142178 /nfs/dbraw/zinc/14/21/78/722142178.db2.gz WPCCQCGWGLCOCU-AOYPEHQESA-N 0 3 485.636 2.926 20 0 JFADHN CCN1CCN(c2ccc(NC(=O)CN3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)c(C)c2)CC1 ZINC001264048658 1059512539 /nfs/dbraw/zinc/51/25/39/1059512539.db2.gz YBIZKSHVNWSZBY-VWLOTQADSA-N 0 3 455.603 2.966 20 0 JFADHN CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CCN(C)C[C@@H]3c3cnn(C)c3)cc2)CC1 ZINC001264109360 1059520408 /nfs/dbraw/zinc/52/04/08/1059520408.db2.gz OPSPPYTWCWSNGR-FCHUYYIVSA-N 0 3 459.616 2.515 20 0 JFADHN Cn1nc(I)cc1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC001264835538 1059700785 /nfs/dbraw/zinc/70/07/85/1059700785.db2.gz ZBKYWTRGXZTUDT-UHFFFAOYSA-N 0 3 456.353 2.868 20 0 JFADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)c3cn4c(Br)cnc4s3)cc21 ZINC001264843180 1059703050 /nfs/dbraw/zinc/70/30/50/1059703050.db2.gz IMSZSUMKLXZPRN-UHFFFAOYSA-N 0 3 450.318 2.880 20 0 JFADHN CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC001265066499 1059761157 /nfs/dbraw/zinc/76/11/57/1059761157.db2.gz QTUDKXJBARBPRA-LJQANCHMSA-N 0 3 453.624 2.942 20 0 JFADHN O=C(CN1C(=O)COc2cc(Br)ccc21)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001265257117 1059810275 /nfs/dbraw/zinc/81/02/75/1059810275.db2.gz RRCXOCJOMADSQH-SFHVURJKSA-N 0 3 458.356 2.955 20 0 JFADHN CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCC(C)CC2)CC12CCCCC2 ZINC001286867430 1061253050 /nfs/dbraw/zinc/25/30/50/1061253050.db2.gz PNPNPDCLYHSMIW-UHFFFAOYSA-N 0 3 473.666 2.520 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3CCOc3cc(C)cc(C)c3)C[C@@H]2C)CC1 ZINC001286868468 1061257295 /nfs/dbraw/zinc/25/72/95/1061257295.db2.gz AISQVDFVZKWLGA-RDPSFJRHSA-N 0 3 454.619 2.661 20 0 JFADHN CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC001286868646 1061258404 /nfs/dbraw/zinc/25/84/04/1061258404.db2.gz AAKXUYUBQFHFDK-OFNKIYASSA-N 0 3 454.619 2.750 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C)CC1 ZINC001286868941 1061259674 /nfs/dbraw/zinc/25/96/74/1061259674.db2.gz CRFXISLRXZZIMV-KKSFZXQISA-N 0 3 480.535 2.912 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC4CC4)n3CCSC(F)(F)F)C[C@H]2C)CC1 ZINC001286871438 1061272301 /nfs/dbraw/zinc/27/23/01/1061272301.db2.gz OFKGNHNWNAARAJ-CRAIPNDOSA-N 0 3 474.597 2.863 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3Cc3nccc(C(F)F)n3)C[C@H]2C)CC1 ZINC001286871706 1061275035 /nfs/dbraw/zinc/27/50/35/1061275035.db2.gz PDARXRGLFHPRIW-XLIONFOSSA-N 0 3 490.603 2.631 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CCCn3nc(C)cc3C)C[C@@H]2C)CC1 ZINC001286871765 1061275557 /nfs/dbraw/zinc/27/55/57/1061275557.db2.gz PSZVLBKBSXQQKY-WMZHIEFXSA-N 0 3 470.666 2.684 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC4CC4)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286871810 1061275778 /nfs/dbraw/zinc/27/57/78/1061275778.db2.gz QCHPTFBKVMCBIQ-NZQKXSOJSA-N 0 3 460.667 2.672 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3Cc3cccc(O)c3)C[C@@H]2C)CC1 ZINC001286873002 1061283947 /nfs/dbraw/zinc/28/39/47/1061283947.db2.gz ZYRXNGDGRAWCOA-CVDCTZTESA-N 0 3 454.619 2.609 20 0 JFADHN CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC001286880724 1061304149 /nfs/dbraw/zinc/30/41/49/1061304149.db2.gz TXCAIZCLHXSXOV-PMOQBDJRSA-N 0 3 454.619 2.840 20 0 JFADHN Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(N(C)C)CCSC3)CC2)cc1C ZINC001289714920 1061322668 /nfs/dbraw/zinc/32/26/68/1061322668.db2.gz LWVCEEDKNOIRHU-VWLOTQADSA-N 0 3 485.702 2.797 20 0 JFADHN Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCN3CCCCC3)CC2)cc1C ZINC001289715119 1061323161 /nfs/dbraw/zinc/32/31/61/1061323161.db2.gz TXISIGQAGPSKQJ-UHFFFAOYSA-N 0 3 453.635 2.846 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H](C)N2CCC(C)CC2)cc1C ZINC001289728901 1061338406 /nfs/dbraw/zinc/33/84/06/1061338406.db2.gz JUZURIJJILMMMJ-WOJBJXKFSA-N 0 3 467.618 2.579 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCN(CCC(C)(C)C)CC3)n2CCCn2cnnn2)cc1C ZINC001289743186 1061359472 /nfs/dbraw/zinc/35/94/72/1061359472.db2.gz KGJUIUXSNIVALQ-UHFFFAOYSA-N 0 3 494.648 2.782 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC(=O)N(C)C)cc1C ZINC001289743360 1061360073 /nfs/dbraw/zinc/36/00/73/1061360073.db2.gz OKHNAEIHMGBZFI-UHFFFAOYSA-N 0 3 469.634 2.794 20 0 JFADHN CC(=O)N1CCN(CCn2c(-c3cccc(Cl)c3)nnc2N2CCN(CC(C)C)CC2)CC1 ZINC001286891440 1061360519 /nfs/dbraw/zinc/36/05/19/1061360519.db2.gz XOASHAXTRMXVQD-UHFFFAOYSA-N 0 3 474.053 2.541 20 0 JFADHN CC(=O)Nc1ccc(CCn2c(CC(C)C)nnc2N2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC001286893116 1061367744 /nfs/dbraw/zinc/36/77/44/1061367744.db2.gz GTXWHXACVXHFLW-QFIPXVFZSA-N 0 3 454.619 2.836 20 0 JFADHN Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCN2CCCC(C)(C)C2)cc1 ZINC001289751669 1061373477 /nfs/dbraw/zinc/37/34/77/1061373477.db2.gz WKZYSVORIVPBMW-UHFFFAOYSA-N 0 3 469.634 2.922 20 0 JFADHN Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C(C)C)N2CCCC2)cc1 ZINC001289809198 1061452460 /nfs/dbraw/zinc/45/24/60/1061452460.db2.gz OJSHWMHJQRYXHU-VXKWHMMOSA-N 0 3 475.659 2.909 20 0 JFADHN CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001286911002 1061460135 /nfs/dbraw/zinc/46/01/35/1061460135.db2.gz DXFPYKPTXVJJFL-WOJBJXKFSA-N 0 3 453.616 2.733 20 0 JFADHN Cc1ccc(OCc2nnc(N3CCN(C4CCOCC4)C[C@@H]3C)n2CC(=O)NC(C)C)cc1C ZINC001289824405 1061490580 /nfs/dbraw/zinc/49/05/80/1061490580.db2.gz JDJLIRJEIAVPHD-NRFANRHFSA-N 0 3 484.645 2.688 20 0 JFADHN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CCCN2CCOC2=O)cc1 ZINC001289826313 1061501586 /nfs/dbraw/zinc/50/15/86/1061501586.db2.gz TVEYKTBKJTYHJV-UHFFFAOYSA-N 0 3 456.591 2.786 20 0 JFADHN CC(=O)NC[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC001286921667 1061518117 /nfs/dbraw/zinc/51/81/17/1061518117.db2.gz IQMLTNFUGYSENQ-ISKFKSNPSA-N 0 3 495.672 2.914 20 0 JFADHN CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001286926853 1061541621 /nfs/dbraw/zinc/54/16/21/1061541621.db2.gz HJNZPSYDZMRYLC-UPVQGACJSA-N 0 3 461.614 2.919 20 0 JFADHN CC(=O)NC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001286931521 1061557946 /nfs/dbraw/zinc/55/79/46/1061557946.db2.gz YELWIWBTCCAIDX-HSZRJFAPSA-N 0 3 496.635 2.763 20 0 JFADHN CC(=O)NCC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001286936321 1061577750 /nfs/dbraw/zinc/57/77/50/1061577750.db2.gz ZMODLBDFPWPJKY-XMMPIXPASA-N 0 3 478.645 2.795 20 0 JFADHN Cc1cccc(C(=O)NCCn2c(N3CCN(C4CCOCC4)CC3)nnc2C(C)(C)C)c1 ZINC001289894193 1061579095 /nfs/dbraw/zinc/57/90/95/1061579095.db2.gz PEXFNNJMNFMWPR-UHFFFAOYSA-N 0 3 454.619 2.615 20 0 JFADHN CCCC(=O)N1CCC[C@@H](C(=O)N2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)C1 ZINC001294103159 1061582982 /nfs/dbraw/zinc/58/29/82/1061582982.db2.gz JHRSVOWZUJRBMA-HSZRJFAPSA-N 0 3 456.631 2.512 20 0 JFADHN CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(N(C)C)nc2)CCN1CCOC ZINC001294105540 1061586993 /nfs/dbraw/zinc/58/69/93/1061586993.db2.gz YQZXOQRLMUDHHD-LEWJYISDSA-N 0 3 457.623 2.576 20 0 JFADHN CCCCCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001294164921 1061656134 /nfs/dbraw/zinc/65/61/34/1061656134.db2.gz GNCUCQUUXPCXFE-UHFFFAOYSA-N 0 3 496.704 2.889 20 0 JFADHN CC(=O)NC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCCN2CCc3ccccc3C2)CCO1 ZINC001286948721 1061662851 /nfs/dbraw/zinc/66/28/51/1061662851.db2.gz VKXVXCCMTQRRSZ-HSZRJFAPSA-N 0 3 468.646 2.656 20 0 JFADHN CCCCCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@@H]2C)CC1 ZINC001294168564 1061667536 /nfs/dbraw/zinc/66/75/36/1061667536.db2.gz RLZODZQWLIKAFZ-FQEVSTJZSA-N 0 3 473.666 2.521 20 0 JFADHN CCCCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001294192440 1061702221 /nfs/dbraw/zinc/70/22/21/1061702221.db2.gz DHGKNWWXXPXHRC-HXUWFJFHSA-N 0 3 480.661 2.937 20 0 JFADHN CC(=O)NCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCCC2)CC1 ZINC001286954429 1061705618 /nfs/dbraw/zinc/70/56/18/1061705618.db2.gz GUNDUZDLBAYYAT-NRFANRHFSA-N 0 3 489.665 2.941 20 0 JFADHN CC(=O)NCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001286956067 1061712883 /nfs/dbraw/zinc/71/28/83/1061712883.db2.gz XQGIWEOSGLIIBY-UHFFFAOYSA-N 0 3 486.686 2.954 20 0 JFADHN CCCCN(C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001294213994 1061721836 /nfs/dbraw/zinc/72/18/36/1061721836.db2.gz FJWNOUZBGWFDMP-INIZCTEOSA-N 0 3 487.468 2.781 20 0 JFADHN CCCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C)N1CCN(CC)CC1 ZINC001294240172 1061751249 /nfs/dbraw/zinc/75/12/49/1061751249.db2.gz OBGYRHGPZYEGSR-FQEVSTJZSA-N 0 3 480.661 2.844 20 0 JFADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C1CC1)N(C)C ZINC001286973388 1061760771 /nfs/dbraw/zinc/76/07/71/1061760771.db2.gz QJXUXYXTQGGGIL-IGCXYCKISA-N 0 3 487.468 2.634 20 0 JFADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C1CC1)N(C)C ZINC001286973391 1061760873 /nfs/dbraw/zinc/76/08/73/1061760873.db2.gz QJXUXYXTQGGGIL-XNJGSVPQSA-N 0 3 487.468 2.634 20 0 JFADHN Cc1cccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCC2)c1 ZINC001290047067 1061766621 /nfs/dbraw/zinc/76/66/21/1061766621.db2.gz MDUDOTTYNNHUJN-LJQANCHMSA-N 0 3 461.632 2.663 20 0 JFADHN CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001294289738 1061776069 /nfs/dbraw/zinc/77/60/69/1061776069.db2.gz OQSGTBDFINMVQK-FQEVSTJZSA-N 0 3 470.618 2.799 20 0 JFADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)CN(C)C ZINC001286977670 1061791524 /nfs/dbraw/zinc/79/15/24/1061791524.db2.gz SHFGQLPJRLXFOG-UWVAXJGDSA-N 0 3 479.647 2.636 20 0 JFADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)CN(C)C ZINC001286977653 1061791577 /nfs/dbraw/zinc/79/15/77/1061791577.db2.gz SHFGQLPJRLXFOG-FUHIMQAGSA-N 0 3 479.647 2.636 20 0 JFADHN Cc1cccc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CCCc2cnn(C)n2)c1 ZINC001290071402 1061797578 /nfs/dbraw/zinc/79/75/78/1061797578.db2.gz LKAUBUYJAMGNFU-UHFFFAOYSA-N 0 3 452.607 2.847 20 0 JFADHN C[C@H]([C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCCC1)S(C)(=O)=O ZINC001286979984 1061810418 /nfs/dbraw/zinc/81/04/18/1061810418.db2.gz JVHDUEQMOYFBPK-VQTJNVASSA-N 0 3 485.658 2.875 20 0 JFADHN Cc1ccccc1-c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCOC(F)(F)F ZINC001290129359 1061861737 /nfs/dbraw/zinc/86/17/37/1061861737.db2.gz RTGBMLGFZYONGW-UHFFFAOYSA-N 0 3 480.535 2.924 20 0 JFADHN CCCCNC(=O)C1CCN(c2nnc(C)n2CCCN2CCN(c3ccccc3)CC2)CC1 ZINC001294353105 1061918361 /nfs/dbraw/zinc/91/83/61/1061918361.db2.gz AWPUZSIQPJXGMU-UHFFFAOYSA-N 0 3 467.662 2.932 20 0 JFADHN CCCCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001294359384 1061931581 /nfs/dbraw/zinc/93/15/81/1061931581.db2.gz PMIZXFJRPHVHMP-RTBURBONSA-N 0 3 487.674 2.726 20 0 JFADHN Cc1ccccc1O[C@@H](C)Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001290198531 1061939211 /nfs/dbraw/zinc/93/92/11/1061939211.db2.gz CGSSBWVIAQPLRE-LEWJYISDSA-N 0 3 454.619 2.920 20 0 JFADHN CC1CCN(S(=O)(=O)c2ccc(C(=O)NCCCCN3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC001294414880 1061980576 /nfs/dbraw/zinc/98/05/76/1061980576.db2.gz QHKDFHYMFKBTLI-BGYRXZFFSA-N 0 3 451.633 2.726 20 0 JFADHN COc1ccc(CN2CCN(C(=O)CCN3CCN(c4cccc(C)c4)CC3)CC2)cc1F ZINC001290233175 1061981460 /nfs/dbraw/zinc/98/14/60/1061981460.db2.gz ZZNALLHEFOEJJT-UHFFFAOYSA-N 0 3 454.590 2.999 20 0 JFADHN CC(C)(C)Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCNC(=O)c1cccs1 ZINC001287035502 1062000999 /nfs/dbraw/zinc/00/09/99/1062000999.db2.gz NTDZAQOKTNFMEV-GOSISDBHSA-N 0 3 460.648 2.517 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NC2CCCCC2)CC1 ZINC001287039242 1062005722 /nfs/dbraw/zinc/00/57/22/1062005722.db2.gz AFNBGEXMYGJCET-UHFFFAOYSA-N 0 3 496.660 2.933 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001287042608 1062012924 /nfs/dbraw/zinc/01/29/24/1062012924.db2.gz DPRSDAOMYBJHAH-QGZVFWFLSA-N 0 3 481.066 2.801 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC001287042940 1062013907 /nfs/dbraw/zinc/01/39/07/1062013907.db2.gz JHRNREBKUCICHS-UYAOXDASSA-N 0 3 475.659 2.820 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(-c3ccccc3Br)n2CCCNS(C)(=O)=O)CC1 ZINC001287043050 1062014166 /nfs/dbraw/zinc/01/41/66/1062014166.db2.gz MVHMVSAWMCFZIT-UHFFFAOYSA-N 0 3 499.479 2.567 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)N2CCOCC2)CC1 ZINC001287044128 1062018239 /nfs/dbraw/zinc/01/82/39/1062018239.db2.gz QQBLITYHDQHVQE-UHFFFAOYSA-N 0 3 470.662 2.931 20 0 JFADHN COC(=O)c1ccsc1N1CC[C@@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1=O ZINC001294480492 1062030662 /nfs/dbraw/zinc/03/06/62/1062030662.db2.gz FXWTVGSSCOMSNL-QFBILLFUSA-N 0 3 459.543 2.808 20 0 JFADHN CC(C)(C)NC(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001287047189 1062031547 /nfs/dbraw/zinc/03/15/47/1062031547.db2.gz AMCVYENLZVRDNN-UHFFFAOYSA-N 0 3 488.608 2.602 20 0 JFADHN CC(C)(C)NC(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN(CC2CC2)CC1 ZINC001287047274 1062032496 /nfs/dbraw/zinc/03/24/96/1062032496.db2.gz DQKBBWZQTAOIKS-UHFFFAOYSA-N 0 3 454.619 2.736 20 0 JFADHN CN(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1 ZINC001290306341 1062033644 /nfs/dbraw/zinc/03/36/44/1062033644.db2.gz OTQCPDPHUTVRIP-RTWAWAEBSA-N 0 3 452.555 2.743 20 0 JFADHN CC(C)(C)NC(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001287048355 1062037514 /nfs/dbraw/zinc/03/75/14/1062037514.db2.gz VVLZVXMKJMAXAL-UHFFFAOYSA-N 0 3 482.673 2.917 20 0 JFADHN CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1=CCCOC1 ZINC001287056626 1062077307 /nfs/dbraw/zinc/07/73/07/1062077307.db2.gz JFLZLENOVRLCBQ-HXUWFJFHSA-N 0 3 490.649 2.854 20 0 JFADHN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1=CCCOC1 ZINC001287056624 1062077409 /nfs/dbraw/zinc/07/74/09/1062077409.db2.gz JFLZLENOVRLCBQ-FQEVSTJZSA-N 0 3 490.649 2.854 20 0 JFADHN CC(C)(C)OC(=O)NCC1CCN(c2nnc(-c3cnccn3)n2CCN2CC=CCC2)CC1 ZINC001287061575 1062098098 /nfs/dbraw/zinc/09/80/98/1062098098.db2.gz METZGJDWCHHOSV-UHFFFAOYSA-N 0 3 468.606 2.738 20 0 JFADHN CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001294595380 1062106215 /nfs/dbraw/zinc/10/62/15/1062106215.db2.gz SYXFIKSHGUXGKV-UHFFFAOYSA-N 0 3 450.534 2.947 20 0 JFADHN Cc1nc(Cc2nnc(N3CCCN(C(C)C)CC3)n2CC2([S@@](C)=O)CCC2)cs1 ZINC001290429256 1062184619 /nfs/dbraw/zinc/18/46/19/1062184619.db2.gz ZRXIFOMSOMKOOK-SSEXGKCCSA-N 0 3 450.678 2.856 20 0 JFADHN Cc1nc(Cc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H](c2cccc(F)c2)N(C)C)cs1 ZINC001290430981 1062188573 /nfs/dbraw/zinc/18/85/73/1062188573.db2.gz GOEYLJQUFXOZTJ-MGPUTAFESA-N 0 3 471.606 2.743 20 0 JFADHN CC(C)(C)OC(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001287071280 1062200874 /nfs/dbraw/zinc/20/08/74/1062200874.db2.gz ZFZPSJSUBCBTBS-VQTJNVASSA-N 0 3 478.638 2.593 20 0 JFADHN Cc1nc(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@]2(O)CCO[C@H]2C)cs1 ZINC001290434935 1062201297 /nfs/dbraw/zinc/20/12/97/1062201297.db2.gz AFLZPWKVBNIBFL-GAJHUEQPSA-N 0 3 462.664 2.732 20 0 JFADHN CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(OC)c(F)c2)C1 ZINC001294658360 1062203921 /nfs/dbraw/zinc/20/39/21/1062203921.db2.gz PBZQGQARWROPGD-RBUKOAKNSA-N 0 3 479.622 2.696 20 0 JFADHN CCCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(OC)c(F)c2)C1 ZINC001294658358 1062204105 /nfs/dbraw/zinc/20/41/05/1062204105.db2.gz PBZQGQARWROPGD-OALUTQOASA-N 0 3 479.622 2.696 20 0 JFADHN CCCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCOc2ccccc2)CC1 ZINC001294659415 1062207832 /nfs/dbraw/zinc/20/78/32/1062207832.db2.gz VLUWHZBMFBUPNX-NRFANRHFSA-N 0 3 475.659 2.817 20 0 JFADHN Cc1nc(Cc2nnc(N3CCSC[C@@H]3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cs1 ZINC001290440872 1062211190 /nfs/dbraw/zinc/21/11/90/1062211190.db2.gz YMRCIEVLQUABKZ-QFBILLFUSA-N 0 3 477.704 2.518 20 0 JFADHN CCCN1CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294665621 1062217969 /nfs/dbraw/zinc/21/79/69/1062217969.db2.gz ZRQKUGIBCZPTIO-AZUAARDMSA-N 0 3 480.704 2.769 20 0 JFADHN CCCN1CC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294667538 1062222532 /nfs/dbraw/zinc/22/25/32/1062222532.db2.gz APCIEFTWTNFPNS-FGZHOGPDSA-N 0 3 459.660 2.809 20 0 JFADHN Cc1ncc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)N2CCCCC2)s1 ZINC001290481164 1062271153 /nfs/dbraw/zinc/27/11/53/1062271153.db2.gz RTADBDQMPLWOAJ-SJLPKXTDSA-N 0 3 466.677 2.846 20 0 JFADHN CC(C)=CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001287100802 1062309854 /nfs/dbraw/zinc/30/98/54/1062309854.db2.gz CGOUTYBTWYHZKC-LJQANCHMSA-N 0 3 453.591 2.971 20 0 JFADHN CCCN1CCCN(c2nnc(Cc3cccnc3)n2CCN(C)Cc2ccccc2)CC1=O ZINC001294735510 1062320849 /nfs/dbraw/zinc/32/08/49/1062320849.db2.gz VFYSCURFTGHQBB-UHFFFAOYSA-N 0 3 461.614 2.845 20 0 JFADHN CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001287109136 1062321474 /nfs/dbraw/zinc/32/14/74/1062321474.db2.gz HCRQRSIVFOAJBZ-IRLDBZIGSA-N 0 3 472.609 2.919 20 0 JFADHN CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001287119139 1062357934 /nfs/dbraw/zinc/35/79/34/1062357934.db2.gz KDMOUJQAGATEEN-RBUKOAKNSA-N 0 3 470.647 2.784 20 0 JFADHN CCCn1nc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H](COC)OC)c2ccccc2c1=O ZINC001294772203 1062373045 /nfs/dbraw/zinc/37/30/45/1062373045.db2.gz YNZCIOAILCJNFF-LJQANCHMSA-N 0 3 497.644 2.647 20 0 JFADHN CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001287124859 1062384224 /nfs/dbraw/zinc/38/42/24/1062384224.db2.gz WDNUZLATQPEOEZ-MJGOQNOKSA-N 0 3 460.648 2.887 20 0 JFADHN CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001294788222 1062393893 /nfs/dbraw/zinc/39/38/93/1062393893.db2.gz DIGVCCTUOOAMNV-FPOVZHCZSA-N 0 3 471.650 2.615 20 0 JFADHN CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CC=CCC2)C1 ZINC001294791494 1062408223 /nfs/dbraw/zinc/40/82/23/1062408223.db2.gz NGNSGWBQLDASAB-OAQYLSRUSA-N 0 3 452.603 2.958 20 0 JFADHN CC(C)C(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001287129953 1062413332 /nfs/dbraw/zinc/41/33/32/1062413332.db2.gz KPLPIELDYFUYHN-UHFFFAOYSA-N 0 3 486.636 2.719 20 0 JFADHN CC(C)C(=O)NCCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1cccs1)N(C)C ZINC001287131891 1062428107 /nfs/dbraw/zinc/42/81/07/1062428107.db2.gz DEHZXPQGNLOUHO-KRWDZBQOSA-N 0 3 487.630 2.579 20 0 JFADHN CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCOC2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001287133219 1062440748 /nfs/dbraw/zinc/44/07/48/1062440748.db2.gz QRWRPYLEZPEKED-QFIPXVFZSA-N 0 3 468.646 2.827 20 0 JFADHN CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001294803005 1062449480 /nfs/dbraw/zinc/44/94/80/1062449480.db2.gz JKGVFPPMILILTJ-FYYLOGMGSA-N 0 3 499.679 2.777 20 0 JFADHN CCCNC(=O)[C@@H]1CCCN(c2nnc(CC3CCCC3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001294809619 1062464872 /nfs/dbraw/zinc/46/48/72/1062464872.db2.gz BKIMZYRRAUZFKS-JTHBVZDNSA-N 0 3 473.710 2.779 20 0 JFADHN CC(C)C(=O)NCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(C)(C)C)CC1 ZINC001287141363 1062500101 /nfs/dbraw/zinc/50/01/01/1062500101.db2.gz WJYUMSMYBZITJQ-UHFFFAOYSA-N 0 3 451.619 2.974 20 0 JFADHN CC(C)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001287142729 1062505083 /nfs/dbraw/zinc/50/50/83/1062505083.db2.gz NKRJZFHYYJWMRN-NRFANRHFSA-N 0 3 496.722 2.748 20 0 JFADHN CCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)CN2CCN(CC)CC2)CC1 ZINC001294829323 1062517307 /nfs/dbraw/zinc/51/73/07/1062517307.db2.gz WFWCKJVFRLFYFH-OAQYLSRUSA-N 0 3 475.726 2.883 20 0 JFADHN 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Cc1cc(C)n(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCCCC3)CC2)n1 ZINC001290664397 1062573689 /nfs/dbraw/zinc/57/36/89/1062573689.db2.gz MKSKCYSKMRFECH-UHFFFAOYSA-N 0 3 456.639 2.775 20 0 JFADHN CC(C)c1nnc(N(C)CCCS(C)(=O)=O)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001287184127 1062610198 /nfs/dbraw/zinc/61/01/98/1062610198.db2.gz OAXXDXKNLLIVHG-OAQYLSRUSA-N 0 3 463.648 2.564 20 0 JFADHN CC(C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001287196982 1062629531 /nfs/dbraw/zinc/62/95/31/1062629531.db2.gz PIUWSPDRIZRMJJ-VQTJNVASSA-N 0 3 471.581 2.610 20 0 JFADHN Cc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001290710672 1062642976 /nfs/dbraw/zinc/64/29/76/1062642976.db2.gz XMBRXBWNGHXSPK-UHFFFAOYSA-N 0 3 468.572 2.658 20 0 JFADHN CC(C)c1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001287205245 1062650091 /nfs/dbraw/zinc/65/00/91/1062650091.db2.gz BCLXJSXESOLLAF-BHIFYINESA-N 0 3 460.667 2.987 20 0 JFADHN CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCN(C)c1ccccc1 ZINC001287213543 1062671674 /nfs/dbraw/zinc/67/16/74/1062671674.db2.gz ASSJEDAFSGQCRE-JOCHJYFZSA-N 0 3 453.635 2.671 20 0 JFADHN CC(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1ccccc1OC(F)F ZINC001287215198 1062684016 /nfs/dbraw/zinc/68/40/16/1062684016.db2.gz WSIXQEZODVSEME-UHFFFAOYSA-N 0 3 476.572 2.990 20 0 JFADHN CC(C)N(C)CCCNC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001290782264 1062693091 /nfs/dbraw/zinc/69/30/91/1062693091.db2.gz OOVPVIWAKRRGHC-IEBWSBKVSA-N 0 3 459.450 2.889 20 0 JFADHN Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1Cc1ccc(I)cc1 ZINC001290798061 1062703037 /nfs/dbraw/zinc/70/30/37/1062703037.db2.gz QMLTXAOJESSOAU-HXUWFJFHSA-N 0 3 494.425 2.844 20 0 JFADHN CC(C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCN(C)C(=O)OC(C)(C)C ZINC001287219947 1062703554 /nfs/dbraw/zinc/70/35/54/1062703554.db2.gz PNWOKQTUFDCSFM-GOSISDBHSA-N 0 3 450.628 2.958 20 0 JFADHN CC(C)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCNS(=O)(=O)c1ccccc1 ZINC001287223619 1062710188 /nfs/dbraw/zinc/71/01/88/1062710188.db2.gz OJIQBIBMJJVLEH-UHFFFAOYSA-N 0 3 462.664 2.938 20 0 JFADHN CC(C)c1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@@H](c1ccco1)N(C)C ZINC001287223642 1062711115 /nfs/dbraw/zinc/71/11/15/1062711115.db2.gz OTOGLHAFFPXQQG-VXKWHMMOSA-N 0 3 473.666 2.529 20 0 JFADHN Cc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@H](c1ccco1)N1CCCCC1 ZINC001290824119 1062717877 /nfs/dbraw/zinc/71/78/77/1062717877.db2.gz MUBZUZQZDVFMEQ-VQTJNVASSA-N 0 3 464.636 2.515 20 0 JFADHN CCCOc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@H](C)N2CCN(CC)CC2)cc1OC ZINC001294941200 1062727413 /nfs/dbraw/zinc/72/74/13/1062727413.db2.gz XBVZRNMBUMXOPP-SFTDATJTSA-N 0 3 486.661 2.994 20 0 JFADHN CCCOc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@@H](C)N2CCN(CC)CC2)cc1OC ZINC001294941199 1062727513 /nfs/dbraw/zinc/72/75/13/1062727513.db2.gz XBVZRNMBUMXOPP-RTWAWAEBSA-N 0 3 486.661 2.994 20 0 JFADHN Cc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1ccc(I)cc1 ZINC001290866815 1062748794 /nfs/dbraw/zinc/74/87/94/1062748794.db2.gz CLKAJNJLMHTSPR-OAHLLOKOSA-N 0 3 481.382 2.929 20 0 JFADHN CC(C)[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001287296251 1062768995 /nfs/dbraw/zinc/76/89/95/1062768995.db2.gz SUHXRQMFCDSWJT-QHCPKHFHSA-N 0 3 470.662 2.787 20 0 JFADHN CC(C)[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001287296250 1062769296 /nfs/dbraw/zinc/76/92/96/1062769296.db2.gz SUHXRQMFCDSWJT-HSZRJFAPSA-N 0 3 470.662 2.787 20 0 JFADHN C[C@H]1CN(c2ccc(CNC(=O)CCN3CCN(c4cccc(Cl)c4)CC3)cn2)CCO1 ZINC001290893662 1062769869 /nfs/dbraw/zinc/76/98/69/1062769869.db2.gz FXBZANDFKVQEMC-IBGZPJMESA-N 0 3 458.006 2.789 20 0 JFADHN CCCO[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(N(C)C)CCSC2)CC1 ZINC001294986229 1062773106 /nfs/dbraw/zinc/77/31/06/1062773106.db2.gz DTFOXXBNJPAKAX-CVDCTZTESA-N 0 3 464.680 2.737 20 0 JFADHN CC(C)Cc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001287351929 1062823939 /nfs/dbraw/zinc/82/39/39/1062823939.db2.gz 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JFADHN CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001287464317 1062908258 /nfs/dbraw/zinc/90/82/58/1062908258.db2.gz NEOQVDICFGZTCD-UHFFFAOYSA-N 0 3 493.578 2.878 20 0 JFADHN COC(=O)C1CCC(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)(C(=O)OC)CC1 ZINC001295081243 1062913507 /nfs/dbraw/zinc/91/35/07/1062913507.db2.gz BFJUCBVMCTXZQN-WUZYXKQASA-N 0 3 452.498 2.535 20 0 JFADHN C[C@@H]1C[C@H](C)CN(CCCn2c(COc3ccc(F)cc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001291015207 1062925308 /nfs/dbraw/zinc/92/53/08/1062925308.db2.gz NVSRDMXNRBMTMY-KDURUIRLSA-N 0 3 479.622 2.599 20 0 JFADHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001295145518 1062965908 /nfs/dbraw/zinc/96/59/08/1062965908.db2.gz FJWCIRYYVMIYOZ-MSOLQXFVSA-N 0 3 455.452 2.974 20 0 JFADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001295145521 1062966120 /nfs/dbraw/zinc/96/61/20/1062966120.db2.gz FJWCIRYYVMIYOZ-QZTJIDSGSA-N 0 3 455.452 2.974 20 0 JFADHN C[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001291048478 1062977790 /nfs/dbraw/zinc/97/77/90/1062977790.db2.gz RUXXDKCXUDGTQT-WAGURGNTSA-N 0 3 490.674 2.539 20 0 JFADHN CC(C)NC(=O)Cn1c(N2CCN(C3CCC(C)CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001291061198 1062996410 /nfs/dbraw/zinc/99/64/10/1062996410.db2.gz CLJLDKROXOEGKY-BAWHURIHSA-N 0 3 476.666 2.544 20 0 JFADHN CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295175703 1063000207 /nfs/dbraw/zinc/00/02/07/1063000207.db2.gz MZFXJHHRJLVOSZ-RBUKOAKNSA-N 0 3 477.631 2.664 20 0 JFADHN CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295176079 1063000286 /nfs/dbraw/zinc/00/02/86/1063000286.db2.gz NYXDLEQWNKTTOD-IBGZPJMESA-N 0 3 491.658 2.850 20 0 JFADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001295211669 1063026413 /nfs/dbraw/zinc/02/64/13/1063026413.db2.gz KTXXFWYRGULAQO-JOCHJYFZSA-N 0 3 459.612 2.934 20 0 JFADHN CCN(c1nnc(Cc2cccnc2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295227415 1063049062 /nfs/dbraw/zinc/04/90/62/1063049062.db2.gz GVWBZUZMNQOYIQ-TZIWHRDSSA-N 0 3 460.648 2.542 20 0 JFADHN CCN(c1nnc(Cc2ccccn2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295230379 1063053393 /nfs/dbraw/zinc/05/33/93/1063053393.db2.gz XPLCYJJMXIOPQU-PZJWPPBQSA-N 0 3 460.648 2.542 20 0 JFADHN CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccccc3)CCOCC2)CC1 ZINC001287740063 1063065171 /nfs/dbraw/zinc/06/51/71/1063065171.db2.gz DHNYXHMNWNOIAV-UHFFFAOYSA-N 0 3 468.646 2.943 20 0 JFADHN CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295256587 1063073247 /nfs/dbraw/zinc/07/32/47/1063073247.db2.gz NTNVDWVMTJWUFT-UYAOXDASSA-N 0 3 479.622 2.742 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2ccccn2)CC1 ZINC001287751146 1063076645 /nfs/dbraw/zinc/07/66/45/1063076645.db2.gz PKTKVSUCWZNMNA-UHFFFAOYSA-N 0 3 468.627 2.764 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=O)N2CCOCC2)CC1 ZINC001287750989 1063076780 /nfs/dbraw/zinc/07/67/80/1063076780.db2.gz DBXQNTJMXGOQIF-UHFFFAOYSA-N 0 3 468.646 2.879 20 0 JFADHN C[C@@H]1CCCN(C(C)(C)Cn2c(-c3cnccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001291102820 1063078366 /nfs/dbraw/zinc/07/83/66/1063078366.db2.gz TVASCWJJPTVQGC-MOPGFXCFSA-N 0 3 475.663 2.649 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCOCCS(C)(=O)=O)CC1 ZINC001287753164 1063082096 /nfs/dbraw/zinc/08/20/96/1063082096.db2.gz UNIKFGOQAZRRIS-UHFFFAOYSA-N 0 3 488.029 2.577 20 0 JFADHN CCN(C1CCN(c2nnc(C3CC3)n2C[C@@H](c2ccccc2)N(C)C)CC1)S(C)(=O)=O ZINC001295269401 1063091087 /nfs/dbraw/zinc/09/10/87/1063091087.db2.gz IHWNVHWXMQHQMN-NRFANRHFSA-N 0 3 460.648 2.709 20 0 JFADHN C[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001291120763 1063132101 /nfs/dbraw/zinc/13/21/01/1063132101.db2.gz JHIZCGJDGDVGGK-IRLDBZIGSA-N 0 3 453.635 2.833 20 0 JFADHN CC(C)NC(=O)c1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CCN1CCC[C@H](C)C1 ZINC001291125902 1063151189 /nfs/dbraw/zinc/15/11/89/1063151189.db2.gz CWWDTPKXXFTHFY-NRFANRHFSA-N 0 3 495.672 2.889 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCO[C@@H](CCc3ccccc3)C2)n1CCN1CCC[C@H](C)C1 ZINC001291126422 1063154664 /nfs/dbraw/zinc/15/46/64/1063154664.db2.gz MEBVPPOJVXTSKF-GMAHTHKFSA-N 0 3 468.646 2.986 20 0 JFADHN CC(C)NC(=O)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CCN1CCC[C@@H](C)C1 ZINC001291126369 1063154766 /nfs/dbraw/zinc/15/47/66/1063154766.db2.gz LAMGDTCNEBELIU-OAHLLOKOSA-N 0 3 470.544 2.537 20 0 JFADHN CC(C)NC(=O)c1nnc(N(C)Cc2ccc([S@@](C)=O)cc2)n1CCN1CCC[C@@H](C)C1 ZINC001291126931 1063158132 /nfs/dbraw/zinc/15/81/32/1063158132.db2.gz VSALZEXFEQYQTR-ZUQCGGBESA-N 0 3 460.648 2.522 20 0 JFADHN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCC[C@H]1C ZINC001291136162 1063191120 /nfs/dbraw/zinc/19/11/20/1063191120.db2.gz RFHRBHJDRWRIOY-MOPGFXCFSA-N 0 3 488.658 2.599 20 0 JFADHN CCN(CC)C(=O)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001295323443 1063206836 /nfs/dbraw/zinc/20/68/36/1063206836.db2.gz FPLQZPTXZKECRE-NHCUHLMSSA-N 0 3 476.666 2.510 20 0 JFADHN CC(C)NC(=O)c1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1C[C@H](C)N1CCC(C)CC1 ZINC001291141700 1063216642 /nfs/dbraw/zinc/21/66/42/1063216642.db2.gz RKUXUCMITOIJRD-VQTJNVASSA-N 0 3 470.618 2.813 20 0 JFADHN C[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCN2CCCO)C1 ZINC001291146526 1063230933 /nfs/dbraw/zinc/23/09/33/1063230933.db2.gz GMDWEWUZZPUMMH-PXNSSMCTSA-N 0 3 461.010 2.555 20 0 JFADHN C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C ZINC001291171751 1063260468 /nfs/dbraw/zinc/26/04/68/1063260468.db2.gz QFUCIVYNLJJVTM-URVUXULASA-N 0 3 453.635 2.689 20 0 JFADHN C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001291177286 1063264978 /nfs/dbraw/zinc/26/49/78/1063264978.db2.gz PYWLTCAYUKUPFZ-QUCCMNQESA-N 0 3 458.582 2.785 20 0 JFADHN C[C@H]1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001291177284 1063265092 /nfs/dbraw/zinc/26/50/92/1063265092.db2.gz PYWLTCAYUKUPFZ-AZUAARDMSA-N 0 3 458.582 2.785 20 0 JFADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C2=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001295342264 1063269763 /nfs/dbraw/zinc/26/97/63/1063269763.db2.gz JCNKUQDZGLGNPH-BXKMTCNYSA-N 0 3 457.575 2.879 20 0 JFADHN CC1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCSC[C@H]2C)CC1 ZINC001291180395 1063272567 /nfs/dbraw/zinc/27/25/67/1063272567.db2.gz ASANVKKTVRLENW-RTBURBONSA-N 0 3 455.694 2.634 20 0 JFADHN CC1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001291181157 1063274092 /nfs/dbraw/zinc/27/40/92/1063274092.db2.gz ZFYMRHGZEMFSEN-VQTJNVASSA-N 0 3 467.680 2.696 20 0 JFADHN C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2N(C)CCCC2(C)C)CCN1CC(F)(F)F ZINC001291195919 1063335832 /nfs/dbraw/zinc/33/58/32/1063335832.db2.gz ANXYNNDLTMFEPC-ZWKOTPCHSA-N 0 3 485.599 2.707 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001295378708 1063349299 /nfs/dbraw/zinc/34/92/99/1063349299.db2.gz JAKAUCVAZKFIEE-SLYNCCJLSA-N 0 3 479.622 2.628 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CC2(F)F)CC1 ZINC001295379226 1063349934 /nfs/dbraw/zinc/34/99/34/1063349934.db2.gz LKYQJQMXRGPPJL-BPQIPLTHSA-N 0 3 459.607 2.782 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001295379519 1063351298 /nfs/dbraw/zinc/35/12/98/1063351298.db2.gz MJYBHCFMUOYBRW-RTBURBONSA-N 0 3 467.680 2.839 20 0 JFADHN C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001295383931 1063357914 /nfs/dbraw/zinc/35/79/14/1063357914.db2.gz FYDRBFZTINAPJT-TYPHKJRUSA-N 0 3 458.603 2.654 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001295387575 1063364686 /nfs/dbraw/zinc/36/46/86/1063364686.db2.gz GGLSECCOHYPKBE-UYAOXDASSA-N 0 3 463.648 2.621 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001295391128 1063373817 /nfs/dbraw/zinc/37/38/17/1063373817.db2.gz VFIDSVYVSHUKPH-MTQWCTHYSA-N 0 3 469.696 2.940 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001295391978 1063376532 /nfs/dbraw/zinc/37/65/32/1063376532.db2.gz ZUGRBOBOPSJPEW-YLJYHZDGSA-N 0 3 467.611 2.740 20 0 JFADHN CCN(CC)[C@H](Cn1c(C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O)c1ccco1 ZINC001295392685 1063377820 /nfs/dbraw/zinc/37/78/20/1063377820.db2.gz MMWYQDRYXMBJML-HXUWFJFHSA-N 0 3 450.543 2.995 20 0 JFADHN CCN(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)c1ccco1 ZINC001295397404 1063383811 /nfs/dbraw/zinc/38/38/11/1063383811.db2.gz MSLPILSVICQDMZ-QHAWAJNXSA-N 0 3 467.570 2.981 20 0 JFADHN CCN(CC)[C@H](Cn1c(C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1)c1ccco1 ZINC001295400209 1063386232 /nfs/dbraw/zinc/38/62/32/1063386232.db2.gz ZOMSADBENUXLAT-JOCHJYFZSA-N 0 3 471.650 2.834 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)=O)CC1)c1ccco1 ZINC001295403588 1063388123 /nfs/dbraw/zinc/38/81/23/1063388123.db2.gz GBJNDMXFGNCVQW-XJUOHMSHSA-N 0 3 488.633 2.737 20 0 JFADHN CCN(CC)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)CC1)c1ccco1 ZINC001295403097 1063388346 /nfs/dbraw/zinc/38/83/46/1063388346.db2.gz BZBRRLUDAXUOJY-LJQANCHMSA-N 0 3 499.641 2.614 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccsc1 ZINC001295404259 1063390240 /nfs/dbraw/zinc/39/02/40/1063390240.db2.gz IZGXZKPMVXYUEB-MXKPZRPRSA-N 0 3 490.674 2.814 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccsc1 ZINC001295404263 1063390378 /nfs/dbraw/zinc/39/03/78/1063390378.db2.gz IZGXZKPMVXYUEB-RUOSDFBUSA-N 0 3 490.674 2.814 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccco1 ZINC001295405225 1063392990 /nfs/dbraw/zinc/39/29/90/1063392990.db2.gz FVJFPTNRUAUVBP-TZIWHRDSSA-N 0 3 458.607 2.905 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001295479567 1063487591 /nfs/dbraw/zinc/48/75/91/1063487591.db2.gz FDUCGYWHODRXNE-FQEVSTJZSA-N 0 3 493.697 2.941 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2C[C@H]2C)CC1 ZINC001295480369 1063490515 /nfs/dbraw/zinc/49/05/15/1063490515.db2.gz LKPCJVYZJKNAPZ-IAGOWNOFSA-N 0 3 492.466 2.693 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCc2sc(C)nc2C)CC1 ZINC001295481809 1063493600 /nfs/dbraw/zinc/49/36/00/1063493600.db2.gz AMMZLGILHZFCMV-UHFFFAOYSA-N 0 3 482.658 2.647 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CCc2cccc(F)c2)CC1 ZINC001295481796 1063493713 /nfs/dbraw/zinc/49/37/13/1063493713.db2.gz ADWVFCSREFTWIH-UHFFFAOYSA-N 0 3 467.593 2.656 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(SC)CC2)CC1 ZINC001295481947 1063495726 /nfs/dbraw/zinc/49/57/26/1063495726.db2.gz CIMLJWHOHJWEJF-UHFFFAOYSA-N 0 3 472.659 2.840 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCSC2)CC1 ZINC001295482197 1063497004 /nfs/dbraw/zinc/49/70/04/1063497004.db2.gz FWLJRAAUPUXWGC-QGZVFWFLSA-N 0 3 478.066 2.737 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC=CO2)CC1 ZINC001295482374 1063501036 /nfs/dbraw/zinc/50/10/36/1063501036.db2.gz LWTUFBMDDPMKAS-QFIPXVFZSA-N 0 3 468.602 2.637 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2C[C@H]2C)CC1 ZINC001295482719 1063504956 /nfs/dbraw/zinc/50/49/56/1063504956.db2.gz YJEONSHAEINALY-RTBURBONSA-N 0 3 470.618 2.609 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)c2nc(C)cs2)CC1 ZINC001295482739 1063505622 /nfs/dbraw/zinc/50/56/22/1063505622.db2.gz YYQMSPCFCDGFCV-SFHVURJKSA-N 0 3 484.674 2.843 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC(C)C)cc2)CC1 ZINC001295483480 1063507833 /nfs/dbraw/zinc/50/78/33/1063507833.db2.gz FWDPCWJNCGGNGR-JOCHJYFZSA-N 0 3 484.645 2.608 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2cccnc2)C(C)C)CC1 ZINC001295483566 1063508332 /nfs/dbraw/zinc/50/83/32/1063508332.db2.gz GWLVOKFIWKGPMQ-XZOQPEGZSA-N 0 3 483.661 2.607 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001295483857 1063509335 /nfs/dbraw/zinc/50/93/35/1063509335.db2.gz JNZVNJNELYORHR-UHFFFAOYSA-N 0 3 468.606 2.597 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001295484507 1063511252 /nfs/dbraw/zinc/51/12/52/1063511252.db2.gz OPQXASUFUFARQC-FUPPJEDESA-N 0 3 476.666 2.571 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001295484647 1063511792 /nfs/dbraw/zinc/51/17/92/1063511792.db2.gz PWCIQHKYWSMQHQ-LJQANCHMSA-N 0 3 491.681 2.839 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CC3)n2CCc2ccc(C)c(OC)c2)CC1 ZINC001295484947 1063513892 /nfs/dbraw/zinc/51/38/92/1063513892.db2.gz RRRXMMQFXPJCEE-UHFFFAOYSA-N 0 3 454.619 2.706 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001295490769 1063518624 /nfs/dbraw/zinc/51/86/24/1063518624.db2.gz HQAXVPHMPRISAK-QHCPKHFHSA-N 0 3 482.673 2.869 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2CC(=O)Nc2c(C)cccc2C)CC1 ZINC001295491062 1063521293 /nfs/dbraw/zinc/52/12/93/1063521293.db2.gz OROMANIKRASMGE-UHFFFAOYSA-N 0 3 483.661 2.723 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCCO2)CC1 ZINC001295491550 1063522978 /nfs/dbraw/zinc/52/29/78/1063522978.db2.gz UFUKECXYFKHEFG-JOCHJYFZSA-N 0 3 484.645 2.643 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCS2)CC1 ZINC001295491587 1063523770 /nfs/dbraw/zinc/52/37/70/1063523770.db2.gz VIUMDSBKHOQZTK-LJQANCHMSA-N 0 3 477.704 2.520 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)c2c(C)noc2C)CC1 ZINC001295491907 1063525381 /nfs/dbraw/zinc/52/53/81/1063525381.db2.gz ZKSCATCEYWRGCC-YLJYHZDGSA-N 0 3 473.622 2.529 20 0 JFADHN C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC(C)(C)C1 ZINC001291249344 1063525756 /nfs/dbraw/zinc/52/57/56/1063525756.db2.gz CXDRPMCFOIVWAV-PCCBWWKXSA-N 0 3 460.667 2.987 20 0 JFADHN C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC(C)(C)C1 ZINC001291249345 1063526029 /nfs/dbraw/zinc/52/60/29/1063526029.db2.gz CXDRPMCFOIVWAV-PWRODBHTSA-N 0 3 460.667 2.987 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCOc2ccccc2Cl)CC1 ZINC001295494532 1063529364 /nfs/dbraw/zinc/52/93/64/1063529364.db2.gz QOTUVTPVNCYDTL-OAQYLSRUSA-N 0 3 491.036 2.852 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2Cl)CC1 ZINC001295494614 1063529937 /nfs/dbraw/zinc/52/99/37/1063529937.db2.gz REDCYPAFATYXMN-HXUWFJFHSA-N 0 3 461.010 2.822 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001295562899 1063595940 /nfs/dbraw/zinc/59/59/40/1063595940.db2.gz IMTCMMOBJTXWEL-VAMGGRTRSA-N 0 3 492.665 2.765 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001295566370 1063599971 /nfs/dbraw/zinc/59/99/71/1063599971.db2.gz TUPMCICECGALEO-WBVHZDCISA-N 0 3 467.039 2.522 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001295566894 1063601146 /nfs/dbraw/zinc/60/11/46/1063601146.db2.gz WXOIPOYLFQLCMW-QUCCMNQESA-N 0 3 490.674 2.602 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001295567049 1063601901 /nfs/dbraw/zinc/60/19/01/1063601901.db2.gz FWMDFAHRESHYKN-MJGOQNOKSA-N 0 3 458.632 2.704 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001295569656 1063604265 /nfs/dbraw/zinc/60/42/65/1063604265.db2.gz VBCAJJXSTXMKDH-CTNGQTDRSA-N 0 3 487.674 2.650 20 0 JFADHN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCCCC1 ZINC001295578536 1063618208 /nfs/dbraw/zinc/61/82/08/1063618208.db2.gz KRZPDQKSKDKXMR-UHFFFAOYSA-N 0 3 481.645 2.728 20 0 JFADHN CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001295595930 1063640804 /nfs/dbraw/zinc/64/08/04/1063640804.db2.gz VZQWKQRONJCHQD-IRLDBZIGSA-N 0 3 472.609 2.890 20 0 JFADHN CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001295595929 1063640826 /nfs/dbraw/zinc/64/08/26/1063640826.db2.gz VZQWKQRONJCHQD-IFMALSPDSA-N 0 3 472.609 2.890 20 0 JFADHN Cc1nnc(CNC(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)n1C ZINC001295610782 1063662199 /nfs/dbraw/zinc/66/21/99/1063662199.db2.gz VZJOWCPBYUNRKD-UHFFFAOYSA-N 0 3 456.591 2.689 20 0 JFADHN C[C@@H]1CN(CCCn2c(CC(C)(C)C)nnc2N2CCCN(Cc3cnn(C)c3)CC2)C[C@@H](C)O1 ZINC001291292564 1063675888 /nfs/dbraw/zinc/67/58/88/1063675888.db2.gz GHLFFOPATOYWEZ-FGZHOGPDSA-N 0 3 486.709 2.812 20 0 JFADHN CCN(C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC(C)CC2)C1)CC(F)(F)F ZINC001295751186 1063758382 /nfs/dbraw/zinc/75/83/82/1063758382.db2.gz YIKJZJOJBBXNFK-HXUWFJFHSA-N 0 3 499.626 2.957 20 0 JFADHN C[C@@H]1[C@H](C)SCCN1c1nnc(Cc2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291331379 1063787143 /nfs/dbraw/zinc/78/71/43/1063787143.db2.gz IKYPLZSVRCDTDF-DYXWJJEUSA-N 0 3 471.675 2.537 20 0 JFADHN CCN(CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)CC1)C(=O)OC(C)(C)C ZINC001295815977 1063820718 /nfs/dbraw/zinc/82/07/18/1063820718.db2.gz QIIGJXCFZBAFEZ-UHFFFAOYSA-N 0 3 477.654 2.549 20 0 JFADHN CCC(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001291341248 1063821046 /nfs/dbraw/zinc/82/10/46/1063821046.db2.gz ZYBNYKGRSIGGAV-FUHWJXTLSA-N 0 3 454.604 2.595 20 0 JFADHN CCC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001291345755 1063841431 /nfs/dbraw/zinc/84/14/31/1063841431.db2.gz CYXSOXSMISOHOV-PKTZIBPZSA-N 0 3 495.672 2.761 20 0 JFADHN CCN(CCn1c(-c2cccnc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1)CCC(F)(F)F ZINC001295838639 1063857198 /nfs/dbraw/zinc/85/71/98/1063857198.db2.gz KXAAZCVSXONHAN-RBUKOAKNSA-N 0 3 468.524 2.999 20 0 JFADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C)c1C)C(C)C ZINC001295851637 1063876432 /nfs/dbraw/zinc/87/64/32/1063876432.db2.gz GCCOYDNAQAYKDB-FQEVSTJZSA-N 0 3 490.674 2.602 20 0 JFADHN CCN(CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O)C(C)C ZINC001295868982 1063906491 /nfs/dbraw/zinc/90/64/91/1063906491.db2.gz FMWQRQCADGUTNZ-GUDVDZBRSA-N 0 3 457.685 2.796 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN(C(C)C)C1 ZINC001295878831 1063920941 /nfs/dbraw/zinc/92/09/41/1063920941.db2.gz SELBZKWLOMMYCW-IBGZPJMESA-N 0 3 491.658 2.708 20 0 JFADHN CN(CC(=O)Nc1ccc(CN2CCC(O)CC2)cc1)C(=O)c1ccc(Br)o1 ZINC001295881501 1063926346 /nfs/dbraw/zinc/92/63/46/1063926346.db2.gz JHUHUWGLQWGTML-UHFFFAOYSA-N 0 3 450.333 2.710 20 0 JFADHN CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001291387640 1063936215 /nfs/dbraw/zinc/93/62/15/1063936215.db2.gz NKILHXREVPWBPM-UUOWRZLLSA-N 0 3 490.052 2.535 20 0 JFADHN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001291389173 1063938975 /nfs/dbraw/zinc/93/89/75/1063938975.db2.gz IAEDSGVHOXUJPV-CUVVAGTFSA-N 0 3 487.645 2.918 20 0 JFADHN CCn1cc(CN(C)c2nnc(C(=O)NC(C)C)n2CCCN2CCc3ccccc3C2)cn1 ZINC001295900825 1063953735 /nfs/dbraw/zinc/95/37/35/1063953735.db2.gz BQMKZOZVKRUIHL-UHFFFAOYSA-N 0 3 464.618 2.718 20 0 JFADHN CCn1cc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)cn1 ZINC001295902898 1063957702 /nfs/dbraw/zinc/95/77/02/1063957702.db2.gz WALRDKGJAUMOFK-QFIPXVFZSA-N 0 3 464.618 2.978 20 0 JFADHN CC[C@@H](C)[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001291403110 1063967276 /nfs/dbraw/zinc/96/72/76/1063967276.db2.gz GTBGQAJBUHNNAN-DHTSOJEISA-N 0 3 473.666 2.626 20 0 JFADHN CC[C@H](C)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)OC ZINC001291411026 1063986683 /nfs/dbraw/zinc/98/66/83/1063986683.db2.gz FMHDMBZLLCPSJM-WWPVKYPJSA-N 0 3 484.645 2.758 20 0 JFADHN CC[C@H](C)[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)OC ZINC001291411744 1063987305 /nfs/dbraw/zinc/98/73/05/1063987305.db2.gz OISVCRNWPRMFAC-OZIGNCPNSA-N 0 3 467.622 2.901 20 0 JFADHN CCn1cccc(Cn2c(Cc3csc(C)n3)nnc2N2CCN(C(C)(C)C)CC2)c1=O ZINC001295949139 1063998815 /nfs/dbraw/zinc/99/88/15/1063998815.db2.gz FVVRFYHLJJPTHG-UHFFFAOYSA-N 0 3 455.632 2.784 20 0 JFADHN CCn1cccc(Cn2c(N(C)C3CCN(CCn4cccn4)CC3)nnc2C(C)(C)C)c1=O ZINC001295950768 1064002209 /nfs/dbraw/zinc/00/22/09/1064002209.db2.gz LWYFZNHCCIBWGR-UHFFFAOYSA-N 0 3 466.634 2.603 20 0 JFADHN CCn1cnnc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(C)C)CC1 ZINC001295956258 1064007248 /nfs/dbraw/zinc/00/72/48/1064007248.db2.gz XMXSKGQTVASZBZ-SFHVURJKSA-N 0 3 456.570 2.995 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1C ZINC001295975454 1064019125 /nfs/dbraw/zinc/01/91/25/1064019125.db2.gz CAVPGPCRXUKQQO-IAGOWNOFSA-N 0 3 495.550 2.817 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCC=CO2)C[C@H]1C ZINC001295975442 1064019318 /nfs/dbraw/zinc/01/93/18/1064019318.db2.gz DECLCTJGRNCCOW-SVFBPWRDSA-N 0 3 488.658 2.807 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001295975829 1064020729 /nfs/dbraw/zinc/02/07/29/1064020729.db2.gz FJSJUQILEXAQFO-HUUCEWRRSA-N 0 3 453.513 2.797 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(C)CN(C)C2=O)C[C@@H]1C ZINC001295975930 1064020835 /nfs/dbraw/zinc/02/08/35/1064020835.db2.gz HAGSAHQVJDQHNK-KXNSMUHISA-N 0 3 462.545 2.944 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001295975831 1064020852 /nfs/dbraw/zinc/02/08/52/1064020852.db2.gz FJSJUQILEXAQFO-LSDHHAIUSA-N 0 3 453.513 2.797 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)NCc2ccccc2)C[C@@H]1C ZINC001295976047 1064021167 /nfs/dbraw/zinc/02/11/67/1064021167.db2.gz CBNBSDBYYTYIAW-BERHBOFZSA-N 0 3 498.672 2.944 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(OC)c3)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001295977594 1064024379 /nfs/dbraw/zinc/02/43/79/1064024379.db2.gz OTUVDTMCCIENDF-PMACEKPBSA-N 0 3 456.635 2.983 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2CC2)C[C@H]1C ZINC001295978826 1064027105 /nfs/dbraw/zinc/02/71/05/1064027105.db2.gz TVPRRBAXDFDIOY-MSOLQXFVSA-N 0 3 460.648 2.914 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCOCC2CCOCC2)C[C@@H]1C ZINC001295980094 1064029034 /nfs/dbraw/zinc/02/90/34/1064029034.db2.gz QJLPJMLWTJKYNH-PMACEKPBSA-N 0 3 485.633 2.678 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1ncccc1C ZINC001291470309 1064031023 /nfs/dbraw/zinc/03/10/23/1064031023.db2.gz OETYNTBNONFPBI-GREBRCKQSA-N 0 3 453.635 2.922 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCc1nccs1 ZINC001291470919 1064032457 /nfs/dbraw/zinc/03/24/57/1064032457.db2.gz XDONRGYMLPMNEU-BJLQDIEVSA-N 0 3 459.664 2.870 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2c(C)cccc2C)C[C@@H]1C ZINC001295981818 1064033186 /nfs/dbraw/zinc/03/31/86/1064033186.db2.gz SAWTXMSGNFUEBT-UFYCRDLUSA-N 0 3 478.663 2.503 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(-c3ccccc3)no2)C[C@@H]1C ZINC001295982539 1064035767 /nfs/dbraw/zinc/03/57/67/1064035767.db2.gz URHFAKFQXFHAJW-BZSNNMDCSA-N 0 3 487.630 2.511 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)C[C@H]1C ZINC001295983214 1064038433 /nfs/dbraw/zinc/03/84/33/1064038433.db2.gz ZKCQJYMJTCOSAX-DXIQSLLYSA-N 0 3 497.644 2.501 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)s2)C[C@H]1C ZINC001295983534 1064039481 /nfs/dbraw/zinc/03/94/81/1064039481.db2.gz WTQIUMDBCUNFGW-QLFBSQMISA-N 0 3 475.084 2.765 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001295984554 1064042308 /nfs/dbraw/zinc/04/23/08/1064042308.db2.gz ZUNHNORDWFWMRD-IXDOHACOSA-N 0 3 485.054 2.540 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@](C)(O)CC)C[C@@H]1C ZINC001295984523 1064042329 /nfs/dbraw/zinc/04/23/29/1064042329.db2.gz ZEIFHNMETIPCJR-QQMNAOGKSA-N 0 3 477.679 2.627 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@H]1C ZINC001295990131 1064044908 /nfs/dbraw/zinc/04/49/08/1064044908.db2.gz FCQRYGDNFGQRPE-KZNAEPCWSA-N 0 3 481.066 2.941 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccc(C)c(F)c2)C[C@H]1C ZINC001295992676 1064047361 /nfs/dbraw/zinc/04/73/61/1064047361.db2.gz FCLZWIRBNWNIKD-MSOLQXFVSA-N 0 3 466.565 2.532 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2c(OC)cc(OC)cc2OC)C[C@H]1C ZINC001295992737 1064047390 /nfs/dbraw/zinc/04/73/90/1064047390.db2.gz FNIKRIOPJRCEKO-QZTJIDSGSA-N 0 3 483.617 2.866 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCOC2)C[C@H]1C ZINC001295993021 1064047934 /nfs/dbraw/zinc/04/79/34/1064047934.db2.gz BUEINEOCDPOXNW-FYQPLNBISA-N 0 3 478.638 2.542 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001291495853 1064048646 /nfs/dbraw/zinc/04/86/46/1064048646.db2.gz AWVINBRJTRSGSE-VDZJLULYSA-N 0 3 473.647 2.923 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001295993523 1064048870 /nfs/dbraw/zinc/04/88/70/1064048870.db2.gz IJRYMAOWPSTXNQ-IAGOWNOFSA-N 0 3 456.595 2.949 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001291497442 1064049983 /nfs/dbraw/zinc/04/99/83/1064049983.db2.gz XKAKFQNBDVABSI-LAUBAEHRSA-N 0 3 485.608 2.829 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001291497443 1064050343 /nfs/dbraw/zinc/05/03/43/1064050343.db2.gz XKAKFQNBDVABSI-UTKZUKDTSA-N 0 3 485.608 2.829 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCC(Cn3cccn3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291501733 1064052118 /nfs/dbraw/zinc/05/21/18/1064052118.db2.gz VCLLCWHIEZSONY-IFMALSPDSA-N 0 3 470.666 2.847 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001295998186 1064054670 /nfs/dbraw/zinc/05/46/70/1064054670.db2.gz TWFFRMBVFIKFLU-QZTJIDSGSA-N 0 3 460.627 2.902 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCCCOC)C[C@@H]1C ZINC001295998695 1064056234 /nfs/dbraw/zinc/05/62/34/1064056234.db2.gz VAVOSVWGKNTLBQ-ROUUACIJSA-N 0 3 453.591 2.538 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC001295999511 1064056662 /nfs/dbraw/zinc/05/66/62/1064056662.db2.gz BGLMNKSCNVETIZ-ROUUACIJSA-N 0 3 451.550 2.961 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CC(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001296001469 1064057464 /nfs/dbraw/zinc/05/74/64/1064057464.db2.gz IAFUIZRYGXCVGQ-VXKWHMMOSA-N 0 3 467.662 2.744 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cccc(C)c2)C[C@H]1C ZINC001296004257 1064059708 /nfs/dbraw/zinc/05/97/08/1064059708.db2.gz YDBZHHZIZFHPHK-RTWAWAEBSA-N 0 3 461.614 2.921 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CCn2cc(Br)cn2)C[C@H]1C ZINC001296004344 1064059731 /nfs/dbraw/zinc/05/97/31/1064059731.db2.gz YVIKHAXLVWCHPG-IAGOWNOFSA-N 0 3 473.423 2.842 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CCn2cc(Br)cn2)C[C@@H]1C ZINC001296004346 1064059858 /nfs/dbraw/zinc/05/98/58/1064059858.db2.gz YVIKHAXLVWCHPG-IRXDYDNUSA-N 0 3 473.423 2.842 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCC(N3CCCC3=O)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001291508430 1064059986 /nfs/dbraw/zinc/05/99/86/1064059986.db2.gz MCNBHQLMOUNRRH-NHCUHLMSSA-N 0 3 459.683 2.656 20 0 JFADHN CC[C@@H](C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CC(=O)NC1CCCCC1 ZINC001291509642 1064060934 /nfs/dbraw/zinc/06/09/34/1064060934.db2.gz HPJLKJYYZNCLKH-IRLDBZIGSA-N 0 3 459.683 2.845 20 0 JFADHN CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1Cc1ncccc1N(C)C ZINC001291510519 1064062318 /nfs/dbraw/zinc/06/23/18/1064062318.db2.gz XLQUUHJCAXIGBU-LEWJYISDSA-N 0 3 454.667 2.906 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CC3CCCC3)n2Cc2cccc(S(=O)(=O)NC)c2)C[C@H]1C ZINC001296008382 1064062329 /nfs/dbraw/zinc/06/23/29/1064062329.db2.gz HJYKTHIEDGKPIM-MOPGFXCFSA-N 0 3 474.675 2.886 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccco2)N(C)C)C[C@H]1C ZINC001296008789 1064062367 /nfs/dbraw/zinc/06/23/67/1064062367.db2.gz BJQUSAMNUZENOB-QHAWAJNXSA-N 0 3 454.623 2.955 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3cccc(C)c3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001296009602 1064065463 /nfs/dbraw/zinc/06/54/63/1064065463.db2.gz HDSIVMFPBWTKHX-VQTJNVASSA-N 0 3 475.659 2.909 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CC2(C(N)=O)CCOCC2)C[C@H]1C ZINC001296009913 1064066910 /nfs/dbraw/zinc/06/69/10/1064066910.db2.gz JEKZYPCQEDWJEN-NHCUHLMSSA-N 0 3 484.645 2.675 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001296009924 1064067393 /nfs/dbraw/zinc/06/73/93/1064067393.db2.gz NVBDUFSHGDYFGY-DXIQSLLYSA-N 0 3 475.707 2.910 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC(Nc3cccnn3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291514643 1064067995 /nfs/dbraw/zinc/06/79/95/1064067995.db2.gz WSKHFEGCKFUUOJ-PZJWPPBQSA-N 0 3 483.665 2.605 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)NCC2CC2)C[C@H]1C ZINC001296010372 1064067974 /nfs/dbraw/zinc/06/79/74/1064067974.db2.gz PUHVGICAJYMMSB-MOPGFXCFSA-N 0 3 454.619 2.517 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C ZINC001296010829 1064069570 /nfs/dbraw/zinc/06/95/70/1064069570.db2.gz MJNHCLWDAFNKMR-OALUTQOASA-N 0 3 468.577 2.971 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001296011206 1064070158 /nfs/dbraw/zinc/07/01/58/1064070158.db2.gz UIVMAMFYJYYXCW-HOTGVXAUSA-N 0 3 459.545 2.650 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296013584 1064074589 /nfs/dbraw/zinc/07/45/89/1064074589.db2.gz OEBRMOIGSFVZGX-KOORYGTMSA-N 0 3 492.709 2.809 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCCOc2cccc(OC)c2)C[C@@H]1C ZINC001296014568 1064076276 /nfs/dbraw/zinc/07/62/76/1064076276.db2.gz YJZIIUGMRBWYJD-PMACEKPBSA-N 0 3 470.618 2.797 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)c2ccn[nH]2)C[C@H]1C ZINC001296017269 1064078711 /nfs/dbraw/zinc/07/87/11/1064078711.db2.gz XKYXMVAENAHETL-MOPGFXCFSA-N 0 3 482.658 2.951 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001291539736 1064081590 /nfs/dbraw/zinc/08/15/90/1064081590.db2.gz IJQHJWBAQWPOAW-VDGAXYAQSA-N 0 3 483.596 2.766 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001291542348 1064085318 /nfs/dbraw/zinc/08/53/18/1064085318.db2.gz PWOXPZMTSWRBPY-NNMXDRDESA-N 0 3 457.671 2.867 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001291560270 1064092267 /nfs/dbraw/zinc/09/22/67/1064092267.db2.gz QVNORTLBRZZSIJ-FGZHOGPDSA-N 0 3 461.699 2.760 20 0 JFADHN CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001296039261 1064099101 /nfs/dbraw/zinc/09/91/01/1064099101.db2.gz SALJFYGBLBJGQP-DLBZAZTESA-N 0 3 452.024 2.954 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCC(=O)Nc1ccccc1 ZINC001291580813 1064109386 /nfs/dbraw/zinc/10/93/86/1064109386.db2.gz BHMCTWDFXYXSJT-HXUWFJFHSA-N 0 3 467.618 2.565 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291582574 1064114055 /nfs/dbraw/zinc/11/40/55/1064114055.db2.gz XXCZFPKGLLENNE-RTWAWAEBSA-N 0 3 484.645 2.961 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291582574 1064114061 /nfs/dbraw/zinc/11/40/61/1064114061.db2.gz XXCZFPKGLLENNE-RTWAWAEBSA-N 0 3 484.645 2.961 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001291583975 1064117496 /nfs/dbraw/zinc/11/74/96/1064117496.db2.gz XORVXRVMGPTQEC-PMACEKPBSA-N 0 3 491.681 2.697 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1cccc(COC)c1 ZINC001291583914 1064117523 /nfs/dbraw/zinc/11/75/23/1064117523.db2.gz XCBJTMHWRNIMOJ-HXUWFJFHSA-N 0 3 454.619 2.731 20 0 JFADHN CCN1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001296056344 1064117620 /nfs/dbraw/zinc/11/76/20/1064117620.db2.gz KXSDQPBIWCDWEL-WAUFSOIDSA-N 0 3 481.626 2.784 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001291590366 1064123267 /nfs/dbraw/zinc/12/32/67/1064123267.db2.gz VKPRMZLTOSLWNZ-IFMALSPDSA-N 0 3 470.618 2.971 20 0 JFADHN CCN(C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001296065127 1064131224 /nfs/dbraw/zinc/13/12/24/1064131224.db2.gz JUBGLQGWGBWCBZ-SFHVURJKSA-N 0 3 451.539 2.756 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C)(c2nc(C)no2)CC1 ZINC001296073123 1064138051 /nfs/dbraw/zinc/13/80/51/1064138051.db2.gz BYMOZIJQPPPKTF-GOSISDBHSA-N 0 3 458.611 2.540 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001296074541 1064140467 /nfs/dbraw/zinc/14/04/67/1064140467.db2.gz LIQYYLJOEUSKCV-NLINSNCNSA-N 0 3 472.659 2.762 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C)C1 ZINC001296080578 1064147576 /nfs/dbraw/zinc/14/75/76/1064147576.db2.gz MTGPNYKJLPWPGS-YLJYHZDGSA-N 0 3 461.010 2.961 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001296081004 1064148236 /nfs/dbraw/zinc/14/82/36/1064148236.db2.gz OXNXPZXDBSPREQ-MRXNPFEDSA-N 0 3 481.523 2.693 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1ccc(NC(C)=O)nc1 ZINC001291622322 1064162925 /nfs/dbraw/zinc/16/29/25/1064162925.db2.gz VKKRWRFPFRJACY-QZTJIDSGSA-N 0 3 455.607 2.883 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001291638997 1064186529 /nfs/dbraw/zinc/18/65/29/1064186529.db2.gz LBXOGSZIGLOETM-UGKGYDQZSA-N 0 3 475.659 2.543 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(Cc3cscn3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291639040 1064187030 /nfs/dbraw/zinc/18/70/30/1064187030.db2.gz OVGAZYWHTOASTP-PZJWPPBQSA-N 0 3 488.706 2.513 20 0 JFADHN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001296114531 1064195859 /nfs/dbraw/zinc/19/58/59/1064195859.db2.gz YQSFJCHPHKPDIE-UPVQGACJSA-N 0 3 453.558 2.624 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@H](OC)C2)CC1 ZINC001296120557 1064210648 /nfs/dbraw/zinc/21/06/48/1064210648.db2.gz JLZQRDAGVPVMRL-DXIQSLLYSA-N 0 3 460.598 2.808 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001296121058 1064211643 /nfs/dbraw/zinc/21/16/43/1064211643.db2.gz MQLTZCTZLLDUFV-SFHVURJKSA-N 0 3 474.053 2.716 20 0 JFADHN CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N1CCN(CC)CC1)C(C)C ZINC001296121348 1064212770 /nfs/dbraw/zinc/21/27/70/1064212770.db2.gz NYFXSPZHPSNMND-LJQANCHMSA-N 0 3 490.722 2.807 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296121507 1064212820 /nfs/dbraw/zinc/21/28/20/1064212820.db2.gz PFBIWHKLAMHZKM-GOSISDBHSA-N 0 3 457.026 2.994 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)c3cc(C)oc3C)CC2)CC1 ZINC001296122090 1064213721 /nfs/dbraw/zinc/21/37/21/1064213721.db2.gz SPGXVMQCTWSURG-IBGZPJMESA-N 0 3 471.650 2.600 20 0 JFADHN CC[C@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291679977 1064216372 /nfs/dbraw/zinc/21/63/72/1064216372.db2.gz BXPSYUPHPTVQPW-PMACEKPBSA-N 0 3 478.707 2.837 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296124193 1064216639 /nfs/dbraw/zinc/21/66/39/1064216639.db2.gz GCTRYIVXJWVMGA-VSKRKVRLSA-N 0 3 487.668 2.656 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCSC[C@H]2C)CC1 ZINC001296124376 1064217036 /nfs/dbraw/zinc/21/70/36/1064217036.db2.gz GXUIYTIBGPDURG-RTBURBONSA-N 0 3 474.675 2.930 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001296124419 1064217133 /nfs/dbraw/zinc/21/71/33/1064217133.db2.gz HDFASARDUXAAPG-GOSISDBHSA-N 0 3 492.068 2.594 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3C)nnc2N2C[C@H](C)O[C@H](COC)C2)CC1 ZINC001296124879 1064217966 /nfs/dbraw/zinc/21/79/66/1064217966.db2.gz KFENFFLPIPZVHN-FSSWDIPSSA-N 0 3 456.635 2.520 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296125174 1064218380 /nfs/dbraw/zinc/21/83/80/1064218380.db2.gz LDWIREGLSNHEEC-QZTJIDSGSA-N 0 3 463.026 2.858 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCOC[C@H]2C)CC1 ZINC001296126023 1064219646 /nfs/dbraw/zinc/21/96/46/1064219646.db2.gz OQXWXVGXPSJGIJ-QZTJIDSGSA-N 0 3 477.451 2.959 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)CC(F)(F)F)CC1 ZINC001296126100 1064220171 /nfs/dbraw/zinc/22/01/71/1064220171.db2.gz PNXUHKCWFSRVLL-HNNXBMFYSA-N 0 3 454.497 2.698 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)CC2CCOCC2)CC1 ZINC001296126925 1064221289 /nfs/dbraw/zinc/22/12/89/1064221289.db2.gz SUXACTXFDHIYRA-HXUWFJFHSA-N 0 3 486.661 2.851 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001296128471 1064222786 /nfs/dbraw/zinc/22/27/86/1064222786.db2.gz ZGULERYFNBSDIJ-NRFANRHFSA-N 0 3 497.688 2.674 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)CCOc2ccc(C)cc2)CC1 ZINC001296129609 1064222835 /nfs/dbraw/zinc/22/28/35/1064222835.db2.gz AYJPWFCPULZGOJ-VXKWHMMOSA-N 0 3 456.635 2.632 20 0 JFADHN CC[C@@H](C)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CC=CCC1 ZINC001291705707 1064223103 /nfs/dbraw/zinc/22/31/03/1064223103.db2.gz UZQAZDIICNLPQI-LJQANCHMSA-N 0 3 460.648 2.940 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC001296131210 1064225077 /nfs/dbraw/zinc/22/50/77/1064225077.db2.gz IMKGYFRTGREJPJ-FGZHOGPDSA-N 0 3 492.672 2.955 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC=C(COC)CC2)CC1 ZINC001296131750 1064226477 /nfs/dbraw/zinc/22/64/77/1064226477.db2.gz MSMGVQAMZNXGPN-OAQYLSRUSA-N 0 3 468.646 2.686 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001296131754 1064227075 /nfs/dbraw/zinc/22/70/75/1064227075.db2.gz MVRRXGZOIZGCRM-DFBJGRDBSA-N 0 3 488.080 2.511 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@H](COC)C2)CC1 ZINC001296132004 1064227917 /nfs/dbraw/zinc/22/79/17/1064227917.db2.gz PVHHWNNGXVDBFT-FPOVZHCZSA-N 0 3 475.707 2.913 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc(OC)c(C)c2)CC1 ZINC001296131970 1064227940 /nfs/dbraw/zinc/22/79/40/1064227940.db2.gz NILCJCOGCBNABR-FQEVSTJZSA-N 0 3 464.618 2.715 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@H](COC)C2)CC1 ZINC001296132003 1064227962 /nfs/dbraw/zinc/22/79/62/1064227962.db2.gz PVHHWNNGXVDBFT-CTNGQTDRSA-N 0 3 475.707 2.913 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296132245 1064229450 /nfs/dbraw/zinc/22/94/50/1064229450.db2.gz AAQWDLWRWQZXBR-QFQXNSOFSA-N 0 3 486.661 2.897 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001296132435 1064230191 /nfs/dbraw/zinc/23/01/91/1064230191.db2.gz UDDJICTYQNFPDO-RBBKRZOGSA-N 0 3 455.651 2.541 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001296133361 1064233239 /nfs/dbraw/zinc/23/32/39/1064233239.db2.gz ZTFWBKNBDALAFA-HXUWFJFHSA-N 0 3 488.652 2.869 20 0 JFADHN CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001296133386 1064233457 /nfs/dbraw/zinc/23/34/57/1064233457.db2.gz TXTJQLGFGWDREA-YFNKSVMNSA-N 0 3 470.662 2.676 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001296133624 1064234523 /nfs/dbraw/zinc/23/45/23/1064234523.db2.gz JXVJOJNIHMPFQH-OALUTQOASA-N 0 3 489.615 2.902 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001296133623 1064234544 /nfs/dbraw/zinc/23/45/44/1064234544.db2.gz JXVJOJNIHMPFQH-MOPGFXCFSA-N 0 3 489.615 2.902 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)CCCc2ccccn2)CC1 ZINC001296134302 1064235384 /nfs/dbraw/zinc/23/53/84/1064235384.db2.gz XYUCCZYGMOHPHP-YADHBBJMSA-N 0 3 455.651 2.662 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(N3CCC[C@@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296135135 1064238443 /nfs/dbraw/zinc/23/84/43/1064238443.db2.gz WMBLJYMYDCCQCH-WIYYLYMNSA-N 0 3 457.671 2.651 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(N(C)Cc3ccco3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296135221 1064238822 /nfs/dbraw/zinc/23/88/22/1064238822.db2.gz XKCYAJFOAPBAEE-YKSBVNFPSA-N 0 3 460.623 2.574 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(N3CCC(OCCCOC)CC3)nnc2C(C)(C)C)CC1 ZINC001296135480 1064239735 /nfs/dbraw/zinc/23/97/35/1064239735.db2.gz ZGDNZQLOWZQENS-FQEVSTJZSA-N 0 3 450.672 2.624 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001296135518 1064240067 /nfs/dbraw/zinc/24/00/67/1064240067.db2.gz ZZJDFMWESQKURN-NRFANRHFSA-N 0 3 472.682 2.560 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC001296136124 1064240544 /nfs/dbraw/zinc/24/05/44/1064240544.db2.gz CYKOKYQDAWHFCL-FOFZODDOSA-N 0 3 474.675 2.529 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC=C(Br)C2)CC1 ZINC001296137099 1064243231 /nfs/dbraw/zinc/24/32/31/1064243231.db2.gz LNRNUQNRUBNXKJ-HBFSDRIKSA-N 0 3 497.482 2.517 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1 ZINC001296137830 1064244385 /nfs/dbraw/zinc/24/43/85/1064244385.db2.gz QYCVLUXVLTZOMO-KPLVRAHFSA-N 0 3 488.599 2.685 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001296137890 1064244727 /nfs/dbraw/zinc/24/47/27/1064244727.db2.gz SMHMCEUEUJYJNP-HBFSDRIKSA-N 0 3 488.599 2.807 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@@H]2CC=CCC2)CC1 ZINC001296138416 1064245127 /nfs/dbraw/zinc/24/51/27/1064245127.db2.gz WNQXCTNYIMKMSG-LUKWVAJMSA-N 0 3 460.667 2.821 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001291772955 1064256652 /nfs/dbraw/zinc/25/66/52/1064256652.db2.gz CUTHSZBVLGXCGH-INAZGPRKSA-N 0 3 480.723 2.611 20 0 JFADHN CC[C@@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001291772956 1064256736 /nfs/dbraw/zinc/25/67/36/1064256736.db2.gz CUTHSZBVLGXCGH-PWAJEDTMSA-N 0 3 480.723 2.611 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001291773582 1064258896 /nfs/dbraw/zinc/25/88/96/1064258896.db2.gz HZDGYHXERNWEFC-OOSNJVJTSA-N 0 3 479.647 2.779 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001291774113 1064262216 /nfs/dbraw/zinc/26/22/16/1064262216.db2.gz LOKMFPCSRZPOIW-ZJOUEHCJSA-N 0 3 494.731 2.855 20 0 JFADHN CCN1CCN(c2nnc(-c3ccccc3Br)n2CCN2CCOC[C@H]2C)C[C@@H]1C ZINC001296154359 1064264349 /nfs/dbraw/zinc/26/43/49/1064264349.db2.gz LRERJYNECUQUTI-ZWKOTPCHSA-N 0 3 477.451 2.959 20 0 JFADHN CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296163247 1064277672 /nfs/dbraw/zinc/27/76/72/1064277672.db2.gz SMXZOQBFZPOBIA-UNMCSNQZSA-N 0 3 458.626 2.895 20 0 JFADHN CC[C@H](C)NC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001291784138 1064278310 /nfs/dbraw/zinc/27/83/10/1064278310.db2.gz DLWHESAQLGJFBT-IBGZPJMESA-N 0 3 483.661 2.913 20 0 JFADHN CC[C@H](C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001291793457 1064292353 /nfs/dbraw/zinc/29/23/53/1064292353.db2.gz MRYMGSMQVHYNCB-IBGZPJMESA-N 0 3 482.633 2.685 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3CC3CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001296173461 1064296105 /nfs/dbraw/zinc/29/61/05/1064296105.db2.gz HFEVBTYXXRVNQR-HXUWFJFHSA-N 0 3 475.682 2.659 20 0 JFADHN CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296174999 1064302491 /nfs/dbraw/zinc/30/24/91/1064302491.db2.gz URYXLUKGKVGWDR-FCHUYYIVSA-N 0 3 486.661 2.753 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3Cc3nnc(C(C)(C)C)s3)C2)CC1 ZINC001296174780 1064302592 /nfs/dbraw/zinc/30/25/92/1064302592.db2.gz UDFYUVMTSGLPJP-QGZVFWFLSA-N 0 3 460.696 2.989 20 0 JFADHN CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296175001 1064303492 /nfs/dbraw/zinc/30/34/92/1064303492.db2.gz URYXLUKGKVGWDR-VXKWHMMOSA-N 0 3 486.661 2.753 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCOCCOC)C2)CC1 ZINC001296179491 1064308748 /nfs/dbraw/zinc/30/87/48/1064308748.db2.gz HKUZWQZEIKMIEA-IBGZPJMESA-N 0 3 481.016 2.617 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccccc4Cl)n3C[C@](C)(O)CCOC)C2)CC1 ZINC001296181157 1064314303 /nfs/dbraw/zinc/31/43/03/1064314303.db2.gz SRIMJVKKTPDHBO-NTKDMRAZSA-N 0 3 477.053 2.602 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(C4CCCC4)n3CCN(C)CC(F)(F)F)C2)CC1 ZINC001296181321 1064314964 /nfs/dbraw/zinc/31/49/64/1064314964.db2.gz VRMHWIJMTMTPSY-LJQANCHMSA-N 0 3 457.589 2.646 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(CC4CC4)n3C[C@H](C)N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296181638 1064316279 /nfs/dbraw/zinc/31/62/79/1064316279.db2.gz AEQMEWKSKVWEFU-FPOVZHCZSA-N 0 3 475.682 2.702 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(C)n4)n3C[C@H](OC)C(C)(C)C)C2)CC1 ZINC001296181750 1064317634 /nfs/dbraw/zinc/31/76/34/1064317634.db2.gz ZXCOIJBROIUJCE-IRLDBZIGSA-N 0 3 455.651 2.926 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(C)n4)n3C[C@@H](OC)C(C)(C)C)C2)CC1 ZINC001296181749 1064317830 /nfs/dbraw/zinc/31/78/30/1064317830.db2.gz ZXCOIJBROIUJCE-IFMALSPDSA-N 0 3 455.651 2.926 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3C[C@@](C)(O)CC)C2)CC1 ZINC001296181827 1064318440 /nfs/dbraw/zinc/31/84/40/1064318440.db2.gz DYVHWJBDMMMHPY-UUOWRZLLSA-N 0 3 462.589 2.524 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(CCc4ccccc4)n3C[C@](C)(O)C(C)C)C2)CC1 ZINC001296182361 1064323127 /nfs/dbraw/zinc/32/31/27/1064323127.db2.gz QSDAIWYBLOLOHC-OZXSUGGESA-N 0 3 454.663 2.687 20 0 JFADHN CCN(CC1CCN(c2ccccn2)CC1)c1nnc(C)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001296185688 1064333646 /nfs/dbraw/zinc/33/36/46/1064333646.db2.gz QOOWRQGRHJHPMV-QFIPXVFZSA-N 0 3 468.694 2.998 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC001296186029 1064333702 /nfs/dbraw/zinc/33/37/02/1064333702.db2.gz SDBBLVJCQQNPKG-QFIPXVFZSA-N 0 3 473.710 2.904 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296186690 1064334992 /nfs/dbraw/zinc/33/49/92/1064334992.db2.gz YENXRZMURLHCOQ-LJQANCHMSA-N 0 3 459.605 2.750 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@@H]2CCCCO2)CC1 ZINC001296190030 1064336780 /nfs/dbraw/zinc/33/67/80/1064336780.db2.gz AZXBNHKRGSTMNH-GGAORHGYSA-N 0 3 455.651 2.543 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@H]2CCCCO2)CC1 ZINC001296190032 1064337013 /nfs/dbraw/zinc/33/70/13/1064337013.db2.gz AZXBNHKRGSTMNH-JTHBVZDNSA-N 0 3 455.651 2.543 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296190839 1064340566 /nfs/dbraw/zinc/34/05/66/1064340566.db2.gz GCDINCBXVIBEAZ-GOTSBHOMSA-N 0 3 454.663 2.952 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC1 ZINC001296192074 1064344211 /nfs/dbraw/zinc/34/42/11/1064344211.db2.gz MAJOFZJVMLHCEJ-SWYRRKHMSA-N 0 3 489.709 2.854 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(C(N)=O)cc2)CC1 ZINC001296192866 1064347431 /nfs/dbraw/zinc/34/74/31/1064347431.db2.gz HAWBHZOVSNZQNR-NFBKMPQASA-N 0 3 483.661 2.529 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296193768 1064353193 /nfs/dbraw/zinc/35/31/93/1064353193.db2.gz QCZHXQSVHGJWQN-SQJMNOBHSA-N 0 3 455.651 2.543 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CC[C@H](Cc3cnn(C)c3)C2)CC1 ZINC001296195040 1064358779 /nfs/dbraw/zinc/35/87/79/1064358779.db2.gz UUXXRGFCLBJBNJ-FCHUYYIVSA-N 0 3 456.683 2.553 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296195606 1064361843 /nfs/dbraw/zinc/36/18/43/1064361843.db2.gz WMDQWHCNYBRSAK-FHWLQOOXSA-N 0 3 460.589 2.906 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001296195668 1064362613 /nfs/dbraw/zinc/36/26/13/1064362613.db2.gz XBGQBYCMADEBJA-QHCPKHFHSA-N 0 3 497.688 2.615 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001296196157 1064365803 /nfs/dbraw/zinc/36/58/03/1064365803.db2.gz XMEJNRLTNVWGFQ-JTHBVZDNSA-N 0 3 469.678 2.789 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296196741 1064369644 /nfs/dbraw/zinc/36/96/44/1064369644.db2.gz ZUQZWJSIMAXYLF-QFIPXVFZSA-N 0 3 482.673 2.726 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(N3CCC(C)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296197382 1064373330 /nfs/dbraw/zinc/37/33/30/1064373330.db2.gz XQHZYCPADLOCHM-DHLKQENFSA-N 0 3 462.683 2.829 20 0 JFADHN CCN1CCN(CCCn2c(C)nnc2N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)CC1 ZINC001296202218 1064377117 /nfs/dbraw/zinc/37/71/17/1064377117.db2.gz BHOFXOYAEMNPJG-GOSISDBHSA-N 0 3 454.545 2.671 20 0 JFADHN CCN1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001296202232 1064377805 /nfs/dbraw/zinc/37/78/05/1064377805.db2.gz BOBUBQMADLKNDO-UHFFFAOYSA-N 0 3 457.667 2.724 20 0 JFADHN CCN1CCN(CCCn2c(C(C)C)nnc2N(C)Cc2ccccc2N2CCOCC2)CC1 ZINC001296202917 1064378598 /nfs/dbraw/zinc/37/85/98/1064378598.db2.gz GPJOSLXTQOBJHQ-UHFFFAOYSA-N 0 3 469.678 2.902 20 0 JFADHN CCN1CCN(CCCn2c(C)nnc2N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)CC1 ZINC001296203029 1064379182 /nfs/dbraw/zinc/37/91/82/1064379182.db2.gz GZKZNHBGIXHNGJ-OAQYLSRUSA-N 0 3 464.561 2.793 20 0 JFADHN CCN1CCN(CCCn2c(C(C)C)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296203132 1064380545 /nfs/dbraw/zinc/38/05/45/1064380545.db2.gz IPAAMMNGCJCAGU-HXUWFJFHSA-N 0 3 463.671 2.923 20 0 JFADHN CCN1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001296203903 1064384039 /nfs/dbraw/zinc/38/40/39/1064384039.db2.gz CZXSCDDNWZEKOF-RTWAWAEBSA-N 0 3 450.697 2.922 20 0 JFADHN CCN1CCN(CCCn2c(C(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296204358 1064385563 /nfs/dbraw/zinc/38/55/63/1064385563.db2.gz UPCDIWWUKARKOZ-FQEVSTJZSA-N 0 3 463.671 2.875 20 0 JFADHN CCN1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001296204245 1064385618 /nfs/dbraw/zinc/38/56/18/1064385618.db2.gz IXMCRPZBFGEPOS-YADHBBJMSA-N 0 3 462.683 2.984 20 0 JFADHN CCN1CCN(CCCn2c(C3CCC3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)CC1 ZINC001296204957 1064388496 /nfs/dbraw/zinc/38/84/96/1064388496.db2.gz OHFCQYVWCOPULR-UHFFFAOYSA-N 0 3 468.572 2.962 20 0 JFADHN CCN1CCN(CCCn2c(CC(C)C)nnc2N2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC001296209866 1064399209 /nfs/dbraw/zinc/39/92/09/1064399209.db2.gz ADWXQXYWOIWETH-UHFFFAOYSA-N 0 3 473.710 2.733 20 0 JFADHN CCN1CCN(CCCn2c(CCCc3ccccc3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)CC1 ZINC001296210264 1064400801 /nfs/dbraw/zinc/40/08/01/1064400801.db2.gz DCQULRQHENWCLB-QHCPKHFHSA-N 0 3 497.688 2.758 20 0 JFADHN CCN1CCN(CCCn2c(CCc3ccccc3)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296211304 1064401821 /nfs/dbraw/zinc/40/18/21/1064401821.db2.gz MFMWQTVDVQTIGX-UPVQGACJSA-N 0 3 454.663 2.952 20 0 JFADHN CCN1CCN(CCCn2c(Cc3ccccc3C)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296211317 1064401849 /nfs/dbraw/zinc/40/18/49/1064401849.db2.gz MWSSRTMTJRBOHC-UHFFFAOYSA-N 0 3 475.632 2.592 20 0 JFADHN CCN1CCN(CCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)C2CC2)CC1 ZINC001296212556 1064404426 /nfs/dbraw/zinc/40/44/26/1064404426.db2.gz AAJSKBWGGIIETO-FQEVSTJZSA-N 0 3 461.655 2.976 20 0 JFADHN CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CC=CCC2)CC1 ZINC001291833773 1064405019 /nfs/dbraw/zinc/40/50/19/1064405019.db2.gz OUHRZNOBEJOEKR-FQEVSTJZSA-N 0 3 486.064 2.897 20 0 JFADHN CCN1CCN(CCCn2c(N3CC[C@@](O)(c4ccccc4F)C3)nnc2C(C)(C)C)CC1 ZINC001296213915 1064411499 /nfs/dbraw/zinc/41/14/99/1064411499.db2.gz LHOIIXJZXGQEED-VWLOTQADSA-N 0 3 458.626 2.840 20 0 JFADHN CCN1CCN(CCCn2c(COc3ccc(OC)cc3)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001296214859 1064415027 /nfs/dbraw/zinc/41/50/27/1064415027.db2.gz PGTGRWZQDQWUTM-NHCUHLMSSA-N 0 3 456.635 2.986 20 0 JFADHN CCn1nc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H](F)COC)c2ccccc2c1=O ZINC001296219104 1064431609 /nfs/dbraw/zinc/43/16/09/1064431609.db2.gz HFQPOAVFAWHBEP-KRWDZBQOSA-N 0 3 471.581 2.580 20 0 JFADHN CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001291864429 1064477715 /nfs/dbraw/zinc/47/77/15/1064477715.db2.gz UIRXTGAPRVCONG-ZJSXRUAMSA-N 0 3 481.689 2.808 20 0 JFADHN CC[C@H](c1nnc(N2CCC(CC(N)=O)CC2)n1C[C@@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001291864484 1064477765 /nfs/dbraw/zinc/47/77/65/1064477765.db2.gz GLVHKXLXUVVRGP-QPPBQGQZSA-N 0 3 481.689 2.938 20 0 JFADHN CC[C@@H](c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291881929 1064504267 /nfs/dbraw/zinc/50/42/67/1064504267.db2.gz ZGYAAYZTYBXINY-FYYLOGMGSA-N 0 3 481.689 2.938 20 0 JFADHN CC[C@H](c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001291889178 1064514125 /nfs/dbraw/zinc/51/41/25/1064514125.db2.gz ZQTANGYXGGDGAK-UPVQGACJSA-N 0 3 497.688 2.982 20 0 JFADHN CCNC(=O)C(C)(C)Cn1c(N2CCN(C3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001296251762 1064515778 /nfs/dbraw/zinc/51/57/78/1064515778.db2.gz UCXVEDCNFXKYAN-RUZDIDTESA-N 0 3 476.666 2.546 20 0 JFADHN CC[C@H](c1nnc(N2CCN(CCOC)[C@@H](C)C2)n1CCc1nc(C)n[nH]1)c1ccccc1 ZINC001291892513 1064519605 /nfs/dbraw/zinc/51/96/05/1064519605.db2.gz GCBRNVCUWKSCBB-RXVVDRJESA-N 0 3 452.607 2.646 20 0 JFADHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)c1 ZINC001296256405 1064520464 /nfs/dbraw/zinc/52/04/64/1064520464.db2.gz CADMYQODARDZKP-UHFFFAOYSA-N 0 3 459.612 2.740 20 0 JFADHN CC[C@@H](c1nnc(N2CCS(=O)CC2)n1C[C@@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001291900931 1064531586 /nfs/dbraw/zinc/53/15/86/1064531586.db2.gz KIQYSRNFUQKDBK-JTHBVZDNSA-N 0 3 472.703 2.662 20 0 JFADHN CCNC(=O)c1ccc(Cn2c(CC(C)C)nnc2N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cc1 ZINC001296273156 1064542157 /nfs/dbraw/zinc/54/21/57/1064542157.db2.gz LXXIQVIDJHENRD-XMMPIXPASA-N 0 3 481.689 2.879 20 0 JFADHN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)OC ZINC001291922337 1064542919 /nfs/dbraw/zinc/54/29/19/1064542919.db2.gz JWVIOUKELRUMIN-UHFFFAOYSA-N 0 3 469.634 2.598 20 0 JFADHN CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)SC ZINC001291924211 1064544901 /nfs/dbraw/zinc/54/49/01/1064544901.db2.gz ZOLXJDVLHYYZHV-UHFFFAOYSA-N 0 3 459.664 2.939 20 0 JFADHN CCC(CC)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1)SC ZINC001291925237 1064545642 /nfs/dbraw/zinc/54/56/42/1064545642.db2.gz GDUYRCHBFFDZRN-LJQANCHMSA-N 0 3 464.680 2.700 20 0 JFADHN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1)OC ZINC001291930839 1064548264 /nfs/dbraw/zinc/54/82/64/1064548264.db2.gz DQINTZZZYSDXLE-MDNUFGMLSA-N 0 3 490.693 2.756 20 0 JFADHN CCNC(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001296280708 1064551351 /nfs/dbraw/zinc/55/13/51/1064551351.db2.gz GZOOTWWBZHWGPY-OAQYLSRUSA-N 0 3 454.619 2.891 20 0 JFADHN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1)OC ZINC001291933477 1064552348 /nfs/dbraw/zinc/55/23/48/1064552348.db2.gz HMXWMCCYIQJBFA-ZJSXRUAMSA-N 0 3 497.688 2.848 20 0 JFADHN CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)NC)CC1)N1CCOCC1 ZINC001291952048 1064564961 /nfs/dbraw/zinc/56/49/61/1064564961.db2.gz HPTIJLBRJJJGOZ-QHCPKHFHSA-N 0 3 499.660 2.552 20 0 JFADHN CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cnn(C)c1)N(C)C ZINC001291968822 1064584810 /nfs/dbraw/zinc/58/48/10/1064584810.db2.gz RWTMXENLSNTMDL-TYPHKJRUSA-N 0 3 477.679 2.622 20 0 JFADHN CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)N(C)C ZINC001291973031 1064587451 /nfs/dbraw/zinc/58/74/51/1064587451.db2.gz DTYSXJLGRKTIOT-ZJSXRUAMSA-N 0 3 491.706 2.521 20 0 JFADHN CCNC(=O)N1CCN(c2nnc(C3CCC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 ZINC001296310959 1064591327 /nfs/dbraw/zinc/59/13/27/1064591327.db2.gz OWHNROOAIDQHEW-NRFANRHFSA-N 0 3 455.607 2.709 20 0 JFADHN CCNC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001296312744 1064592923 /nfs/dbraw/zinc/59/29/23/1064592923.db2.gz YIFMRPVLFXDRTM-NRFANRHFSA-N 0 3 466.565 2.634 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC(C)(OC)C2)n1CC1(N2CCSCC2)CCCC1 ZINC001292016564 1064649202 /nfs/dbraw/zinc/64/92/02/1064649202.db2.gz GOQUTKUVYZUJKW-UHFFFAOYSA-N 0 3 464.680 2.783 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@@H]1CCn2ccnc2C1 ZINC001292019384 1064657647 /nfs/dbraw/zinc/65/76/47/1064657647.db2.gz FBMFXSIGZJSBPQ-GBESFXJTSA-N 0 3 456.639 2.575 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1Cc1ncccc1C ZINC001292063051 1064736007 /nfs/dbraw/zinc/73/60/07/1064736007.db2.gz LVOXKAOZVAYBTI-JOCHJYFZSA-N 0 3 482.677 2.553 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001292086425 1064769671 /nfs/dbraw/zinc/76/96/71/1064769671.db2.gz SEYWXQZLZNJWJI-RXVVDRJESA-N 0 3 487.693 2.812 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Cc3noc(C)n3)C2)n1CCN1CCC[C@H]1C ZINC001292095404 1064787301 /nfs/dbraw/zinc/78/73/01/1064787301.db2.gz XQNFXDABUDZVIF-IEBWSBKVSA-N 0 3 472.638 2.831 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@@H]1CCCN1CC ZINC001292110531 1064814234 /nfs/dbraw/zinc/81/42/34/1064814234.db2.gz JWXZVGWFBLBECD-QFIPXVFZSA-N 0 3 499.635 2.782 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1ccc(C)nc1 ZINC001292123988 1064863467 /nfs/dbraw/zinc/86/34/67/1064863467.db2.gz BVGOYDOINOJFBC-LJQANCHMSA-N 0 3 469.634 2.638 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001292126873 1064877925 /nfs/dbraw/zinc/87/79/25/1064877925.db2.gz QWNGTXXSKBHOFK-GMAHTHKFSA-N 0 3 490.693 2.806 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001292126872 1064878115 /nfs/dbraw/zinc/87/81/15/1064878115.db2.gz QWNGTXXSKBHOFK-GGAORHGYSA-N 0 3 490.693 2.806 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCCc1nc(C)no1 ZINC001292127196 1064881016 /nfs/dbraw/zinc/88/10/16/1064881016.db2.gz ZKHTVFCEMVNKSZ-UHFFFAOYSA-N 0 3 472.638 2.975 20 0 JFADHN CCN(CC)[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1)c1ccc(C(F)(F)F)cc1 ZINC001292142655 1064910023 /nfs/dbraw/zinc/91/00/23/1064910023.db2.gz ZCZHUMULWDQETA-GUDVDZBRSA-N 0 3 451.493 2.634 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nccs3)C2)n1CCN1CCC[C@@H](C)C1 ZINC001292145254 1064918319 /nfs/dbraw/zinc/91/83/19/1064918319.db2.gz SQEJBKRCCNAEJL-MJGOQNOKSA-N 0 3 475.663 2.963 20 0 JFADHN CC[C@H](Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N(C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC001292173178 1064961272 /nfs/dbraw/zinc/96/12/72/1064961272.db2.gz PCUWVSVHTYFPIP-SXWKCWPCSA-N 0 3 484.645 2.506 20 0 JFADHN CC[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001292186919 1064978863 /nfs/dbraw/zinc/97/88/63/1064978863.db2.gz UDJCBYJQPSAWDC-FPOVZHCZSA-N 0 3 461.632 2.842 20 0 JFADHN CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)NC(=O)OC(C)(C)C ZINC001292225104 1065011697 /nfs/dbraw/zinc/01/16/97/1065011697.db2.gz LTPDLTFXYDPMBB-PCCBWWKXSA-N 0 3 492.665 2.634 20 0 JFADHN CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)OC ZINC001292225255 1065012469 /nfs/dbraw/zinc/01/24/69/1065012469.db2.gz QICHHXABLIKTSK-WCIQWLHISA-N 0 3 480.654 2.930 20 0 JFADHN CCC(O)(CC)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(C)C)CC1 ZINC001292284925 1065059305 /nfs/dbraw/zinc/05/93/05/1065059305.db2.gz QEJNUYXRKMDHNT-UHFFFAOYSA-N 0 3 470.666 2.781 20 0 JFADHN CCC(O)(CC)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001292288384 1065060914 /nfs/dbraw/zinc/06/09/14/1065060914.db2.gz APRPNROEHFCRMV-HSZRJFAPSA-N 0 3 482.673 2.747 20 0 JFADHN CCC(O)(CC)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001292289765 1065061522 /nfs/dbraw/zinc/06/15/22/1065061522.db2.gz OLBRBRKYTWNIKT-RCZVLFRGSA-N 0 3 496.700 2.993 20 0 JFADHN CCC1(CC)CN(c2nnc(-c3cnccn3)n2CCN2CCN(C)C(C)(C)C2)CCS1 ZINC001292397273 1065135950 /nfs/dbraw/zinc/13/59/50/1065135950.db2.gz WCSCDWCJWFZZPC-UHFFFAOYSA-N 0 3 458.680 2.873 20 0 JFADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1nn(-c2ccccc2)cc1Br ZINC001292440602 1065167373 /nfs/dbraw/zinc/16/73/73/1065167373.db2.gz ZKWJLDDTNRPQCG-UHFFFAOYSA-N 0 3 451.365 2.980 20 0 JFADHN CCc1ccc([C@H](Cn2c(C3CC3)nnc2N2CCC(NS(=O)(=O)CC)CC2)N(C)C)cc1 ZINC001292456605 1065177876 /nfs/dbraw/zinc/17/78/76/1065177876.db2.gz GKJLSTUEOHQENG-QFIPXVFZSA-N 0 3 474.675 2.929 20 0 JFADHN CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3noc(C)n3)C2)N(C)C)cc1 ZINC001292457713 1065180195 /nfs/dbraw/zinc/18/01/95/1065180195.db2.gz LIDNAGWRRDLYDX-SFTDATJTSA-N 0 3 496.616 2.551 20 0 JFADHN CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)N(C)C)cc1 ZINC001292457985 1065180212 /nfs/dbraw/zinc/18/02/12/1065180212.db2.gz MYBLRCIJFPTDPM-NZQKXSOJSA-N 0 3 497.688 2.975 20 0 JFADHN CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3noc(C)n3)C2)N(C)C)cc1 ZINC001292457712 1065180270 /nfs/dbraw/zinc/18/02/70/1065180270.db2.gz LIDNAGWRRDLYDX-RTWAWAEBSA-N 0 3 496.616 2.551 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](CNC(C)=O)C2)N(C)C)cc1 ZINC001292459716 1065185402 /nfs/dbraw/zinc/18/54/02/1065185402.db2.gz FUFFBCYDXXQRIM-KMDXXIMOSA-N 0 3 484.645 2.726 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC)C(C)C)N(C)C)cc1 ZINC001292460526 1065188399 /nfs/dbraw/zinc/18/83/99/1065188399.db2.gz IDJABODKZLXYQC-VXKWHMMOSA-N 0 3 492.690 2.711 20 0 JFADHN CCc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](N4CCCN(C(C)=O)CC4)C3)n2CC(C)(C)O)cc1 ZINC001292479741 1065204179 /nfs/dbraw/zinc/20/41/79/1065204179.db2.gz TUJZQIJOTOBXCQ-XXBNENTESA-N 0 3 468.646 2.657 20 0 JFADHN CCc1ccc(-c2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2C[C@H](COC)OC)cc1 ZINC001292497260 1065215923 /nfs/dbraw/zinc/21/59/23/1065215923.db2.gz DNSKLASUSRQTEF-BJKOFHAPSA-N 0 3 470.662 2.774 20 0 JFADHN CCc1ccc(-c2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2C[C@@H](COC)OC)cc1 ZINC001292497270 1065216439 /nfs/dbraw/zinc/21/64/39/1065216439.db2.gz DNSKLASUSRQTEF-ZEQRLZLVSA-N 0 3 470.662 2.774 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2C[C@](C)(O)C(C)C)cc1 ZINC001292513236 1065232696 /nfs/dbraw/zinc/23/26/96/1065232696.db2.gz ASENUZQFDZCXJZ-SANMLTNESA-N 0 3 468.646 2.659 20 0 JFADHN CCc1ccccc1OCc1nnc(Nc2cnn(C)c2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001292623870 1065359799 /nfs/dbraw/zinc/35/97/99/1065359799.db2.gz GKGLZLRSTDKBIC-LJQANCHMSA-N 0 3 452.607 2.923 20 0 JFADHN CCc1cnc(Cn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)CN(CC)CC)CC2)s1 ZINC001292654999 1065389736 /nfs/dbraw/zinc/38/97/36/1065389736.db2.gz BIKRVLUTMMZXBG-UHFFFAOYSA-N 0 3 471.631 2.904 20 0 JFADHN CN(C(=O)CNC(=O)c1cccc(Br)c1)C1CCN(CCc2ccccn2)CC1 ZINC001292667428 1065404401 /nfs/dbraw/zinc/40/44/01/1065404401.db2.gz GOQZRBWWZMFFTC-UHFFFAOYSA-N 0 3 459.388 2.739 20 0 JFADHN CCc1nc(C)c(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)o1 ZINC001292678058 1065416969 /nfs/dbraw/zinc/41/69/69/1065416969.db2.gz CBHMWGUYGTUHFO-HOTGVXAUSA-N 0 3 452.563 2.751 20 0 JFADHN CCc1nc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)cs1 ZINC001292729548 1065490968 /nfs/dbraw/zinc/49/09/68/1065490968.db2.gz UCGVUAOSCKLFBZ-MSOLQXFVSA-N 0 3 480.704 2.956 20 0 JFADHN CCc1nnc(Cn2c(CC)nnc2N2CCN(CCN(C)Cc3ccccc3)CC2)s1 ZINC001292796527 1065557079 /nfs/dbraw/zinc/55/70/79/1065557079.db2.gz QDFVIDGBFORJJA-UHFFFAOYSA-N 0 3 454.648 2.557 20 0 JFADHN COc1ccc(Nc2ccc(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)cc2)c(OC)c1 ZINC001292817976 1065566592 /nfs/dbraw/zinc/56/65/92/1065566592.db2.gz YNNBMAFRLNLAJN-UHFFFAOYSA-N 0 3 452.555 2.828 20 0 JFADHN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N(CCN(C)C)C3CCCCC3)c2)C[C@H](C)O1 ZINC001292872689 1065581172 /nfs/dbraw/zinc/58/11/72/1065581172.db2.gz VQQJKHGIFQOQAL-OALUTQOASA-N 0 3 451.633 2.821 20 0 JFADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[C@](C)(O)c1ccccc1 ZINC001292892224 1065589175 /nfs/dbraw/zinc/58/91/75/1065589175.db2.gz AYZUGLYUNCJEFX-CHZKFRDHSA-N 0 3 468.646 2.517 20 0 JFADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(C)cc1OC ZINC001292893121 1065592368 /nfs/dbraw/zinc/59/23/68/1065592368.db2.gz LFWNMNDSNAAIBB-SIKLNZKXSA-N 0 3 454.619 2.585 20 0 JFADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1ccc(C)cc1OC ZINC001292893122 1065592512 /nfs/dbraw/zinc/59/25/12/1065592512.db2.gz LFWNMNDSNAAIBB-UGKGYDQZSA-N 0 3 454.619 2.585 20 0 JFADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC1(OC)CCC(C)CC1 ZINC001292893227 1065593571 /nfs/dbraw/zinc/59/35/71/1065593571.db2.gz MNVGJFVZPGNXEP-MJKJEIEMSA-N 0 3 460.667 2.815 20 0 JFADHN CCc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001292924621 1065616827 /nfs/dbraw/zinc/61/68/27/1065616827.db2.gz YZBFIOVLDMDKTH-QFIPXVFZSA-N 0 3 473.710 2.589 20 0 JFADHN CCc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001292934151 1065624126 /nfs/dbraw/zinc/62/41/26/1065624126.db2.gz LFLBHCAZVXXWMH-QHCPKHFHSA-N 0 3 458.626 2.956 20 0 JFADHN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3CN(C)C)CC2)c1 ZINC001292966150 1065646667 /nfs/dbraw/zinc/64/66/67/1065646667.db2.gz JDFMJCWXZYAMFI-UHFFFAOYSA-N 0 3 457.596 2.668 20 0 JFADHN CCc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@H](C)Oc1ccccc1OC ZINC001292979173 1065660457 /nfs/dbraw/zinc/66/04/57/1065660457.db2.gz MWPSWOOMOBKMDO-LEWJYISDSA-N 0 3 456.635 2.921 20 0 JFADHN CCc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@@H](C)Oc1ccccc1OC ZINC001292979175 1065660470 /nfs/dbraw/zinc/66/04/70/1065660470.db2.gz MWPSWOOMOBKMDO-RTWAWAEBSA-N 0 3 456.635 2.921 20 0 JFADHN COC(=O)C1CCN(CCCNC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)CC1 ZINC001292984580 1065667360 /nfs/dbraw/zinc/66/73/60/1065667360.db2.gz FBHMNLKXVOPQLO-UHFFFAOYSA-N 0 3 452.477 2.955 20 0 JFADHN CCc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1CCCN1CCN(CC)CC1 ZINC001292988350 1065675605 /nfs/dbraw/zinc/67/56/05/1065675605.db2.gz OQKMCWBOYOYTNS-UHFFFAOYSA-N 0 3 462.589 2.634 20 0 JFADHN CCc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@@H](c1ccsc1)N(CC)CC ZINC001293036985 1065706421 /nfs/dbraw/zinc/70/64/21/1065706421.db2.gz RRWAKPIVEFELIH-UXHICEINSA-N 0 3 480.704 2.989 20 0 JFADHN CCc1nnc(N2CCC[C@@H](Nc3ccccc3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001293044507 1065709491 /nfs/dbraw/zinc/70/94/91/1065709491.db2.gz KWPKSZNKTJZGGE-FGZHOGPDSA-N 0 3 453.635 2.864 20 0 JFADHN Cc1cccc(CS(=O)(=O)CCC(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)c1 ZINC001293066020 1065717031 /nfs/dbraw/zinc/71/70/31/1065717031.db2.gz UPXRDTFXOIOEJP-UHFFFAOYSA-N 0 3 457.640 2.576 20 0 JFADHN CN(CCN1CCN(C(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1)Cc1ccccc1 ZINC001293065598 1065717155 /nfs/dbraw/zinc/71/71/55/1065717155.db2.gz CLPJPSXOWKKOQE-HSZRJFAPSA-N 0 3 455.002 2.969 20 0 JFADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1ccccc1OC(F)(F)F ZINC001293082996 1065733183 /nfs/dbraw/zinc/73/31/83/1065733183.db2.gz CYORDHIJEPGLJV-KRWDZBQOSA-N 0 3 466.508 2.530 20 0 JFADHN CCc1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001293115435 1065760785 /nfs/dbraw/zinc/76/07/85/1065760785.db2.gz AIEVXRLETFXWOX-IBGZPJMESA-N 0 3 462.639 2.789 20 0 JFADHN CCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 ZINC001293130976 1065782741 /nfs/dbraw/zinc/78/27/41/1065782741.db2.gz NXNALVREVHSXRY-CTNGQTDRSA-N 0 3 454.619 2.576 20 0 JFADHN CCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1ccc(OC)c(Br)c1 ZINC001293132747 1065784394 /nfs/dbraw/zinc/78/43/94/1065784394.db2.gz YNIMWAKTISONBT-KRWDZBQOSA-N 0 3 464.408 2.818 20 0 JFADHN CCc1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCN(CC)CC1 ZINC001293177327 1065802335 /nfs/dbraw/zinc/80/23/35/1065802335.db2.gz IXXYWUJKAMIZQI-FGZHOGPDSA-N 0 3 489.709 2.998 20 0 JFADHN CCc1nsc(N2CCN(c3nnc(CC)n3CCN(C)Cc3ccc(F)cc3)CC2)n1 ZINC001293208819 1065841032 /nfs/dbraw/zinc/84/10/32/1065841032.db2.gz SFDDXFPZEQLQQX-UHFFFAOYSA-N 0 3 458.611 2.852 20 0 JFADHN CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCN(C)C(C)(C)C1 ZINC001293301259 1065941741 /nfs/dbraw/zinc/94/17/41/1065941741.db2.gz JNYVZFUHCZBNTR-PZJWPPBQSA-N 0 3 488.702 2.999 20 0 JFADHN CC[C@@H]1C[C@@H](C)CN1c1nnc(Cc2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001293316118 1065946071 /nfs/dbraw/zinc/94/60/71/1065946071.db2.gz OBHNAICQUIPZFU-FCEUIQTBSA-N 0 3 453.635 2.831 20 0 JFADHN CC[C@@H]1C[C@H](C)CN1c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C)C(C)(C)C1 ZINC001293330880 1065951968 /nfs/dbraw/zinc/95/19/68/1065951968.db2.gz FWVRMQOYNJWTLN-RBUKOAKNSA-N 0 3 473.691 2.920 20 0 JFADHN Cc1ccc(C(=O)NCCC(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)c([O-])c1 ZINC001293423613 1066002364 /nfs/dbraw/zinc/00/23/64/1066002364.db2.gz ZACQEXPKFKKOGI-UHFFFAOYSA-N 0 3 453.543 2.675 20 0 JFADHN CC[C@@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001293432594 1066004936 /nfs/dbraw/zinc/00/49/36/1066004936.db2.gz WOIQHISTLUGSBU-FSSWDIPSSA-N 0 3 490.674 2.601 20 0 JFADHN NC(=O)c1ccn(-c2ccccc2NC(=O)CCN2CCN(c3cccc(Cl)c3)CC2)n1 ZINC001293485668 1066022954 /nfs/dbraw/zinc/02/29/54/1066022954.db2.gz VEEJPEOFENUKTO-UHFFFAOYSA-N 0 3 452.946 2.775 20 0 JFADHN CC[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN(C)CCOC)C1 ZINC001293508925 1066033085 /nfs/dbraw/zinc/03/30/85/1066033085.db2.gz WVFQOGMQTCNJKW-GBESFXJTSA-N 0 3 450.628 2.863 20 0 JFADHN CC[C@H]1CN(c2nnc([C@@H](C)OCCOC)n2CC2(N3CCSCC3)CCCC2)CCO1 ZINC001293525853 1066046742 /nfs/dbraw/zinc/04/67/42/1066046742.db2.gz QVZHTYMDIYQZHL-UXHICEINSA-N 0 3 467.680 2.979 20 0 JFADHN C[C@@H](C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001293558697 1066072471 /nfs/dbraw/zinc/07/24/71/1066072471.db2.gz SCPQGJLIWOUHFH-SFHVURJKSA-N 0 3 458.603 2.916 20 0 JFADHN CC(=O)Nc1ccccc1C(F)(F)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC001293558896 1066072827 /nfs/dbraw/zinc/07/28/27/1066072827.db2.gz WEGFKEBOGDLQKE-UHFFFAOYSA-N 0 3 458.509 2.879 20 0 JFADHN CC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](C(C)C)N2CCOCC2)CCN1CCOC ZINC001293560324 1066075300 /nfs/dbraw/zinc/07/53/00/1066075300.db2.gz JEIJEMKZENBGDH-ZEQRLZLVSA-N 0 3 470.662 2.849 20 0 JFADHN CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)CCS1 ZINC001293594857 1066102497 /nfs/dbraw/zinc/10/24/97/1066102497.db2.gz PKRXMAFBOGVEMH-QZTJIDSGSA-N 0 3 455.694 2.777 20 0 JFADHN CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001293804350 1066313584 /nfs/dbraw/zinc/31/35/84/1066313584.db2.gz BIOIRQNHERGLEL-WMZHIEFXSA-N 0 3 462.042 2.761 20 0 JFADHN CCC[C@](C)(O)Cn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001293818874 1066326747 /nfs/dbraw/zinc/32/67/47/1066326747.db2.gz ASPTXHOAKTXYCX-WPWBMXPQSA-N 0 3 460.667 2.866 20 0 JFADHN CCC[C@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001293824950 1066333475 /nfs/dbraw/zinc/33/34/75/1066333475.db2.gz YJBIMMKSICNDQS-CLOONOSVSA-N 0 3 476.616 2.914 20 0 JFADHN CCC[C@H](C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001293868643 1066381494 /nfs/dbraw/zinc/38/14/94/1066381494.db2.gz PKWQFRZHJQMGBL-LEWJYISDSA-N 0 3 483.661 2.506 20 0 JFADHN O=C(CCOC1CCOCC1)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC001293911712 1066398033 /nfs/dbraw/zinc/39/80/33/1066398033.db2.gz IXVYLLNSTHCKBR-UHFFFAOYSA-N 0 3 455.393 2.994 20 0 JFADHN CCC[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)OC ZINC001293981540 1066485047 /nfs/dbraw/zinc/48/50/47/1066485047.db2.gz HGHPMRYIZGOJBZ-XZOQPEGZSA-N 0 3 455.651 2.684 20 0 JFADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(F)ccc1I ZINC001293981794 1066485980 /nfs/dbraw/zinc/48/59/80/1066485980.db2.gz JOSCWCNPUBLNHS-IBGZPJMESA-N 0 3 454.283 2.797 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN2CCOC[C@H]2C)CCN1CCOC ZINC001294065674 1066536193 /nfs/dbraw/zinc/53/61/93/1066536193.db2.gz FIZUSSCKFMXMHD-FYYLOGMGSA-N 0 3 456.635 2.603 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CC2)CCN1CCOC ZINC001294066816 1066536794 /nfs/dbraw/zinc/53/67/94/1066536794.db2.gz FDYQYWOWEHBJPL-FQEVSTJZSA-N 0 3 461.632 2.696 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2ccco2)CCN1CCOC ZINC001294072593 1066541667 /nfs/dbraw/zinc/54/16/67/1066541667.db2.gz HCUUYLNZYMLARA-DVECYGJZSA-N 0 3 454.575 2.778 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2ccc(N(C)C)nc2)CCN1CCOC ZINC001294073091 1066542088 /nfs/dbraw/zinc/54/20/88/1066542088.db2.gz JQWOJRDOPQOUHY-OAQYLSRUSA-N 0 3 464.618 2.787 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2Cc2nncn2CC)CCN1CCOC ZINC001294074522 1066543360 /nfs/dbraw/zinc/54/33/60/1066543360.db2.gz RZNIVLAHYOHKFT-GOSISDBHSA-N 0 3 456.570 2.681 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2CC(=O)NC2CCCCC2)CCN1CCOC ZINC001294074549 1066543701 /nfs/dbraw/zinc/54/37/01/1066543701.db2.gz SJFSOTMUUYWXQE-OAQYLSRUSA-N 0 3 469.634 2.726 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H]2CCO[C@@H]2C(C)C)CCN1CCOC ZINC001294075507 1066544116 /nfs/dbraw/zinc/54/41/16/1066544116.db2.gz ADWOLNQBLPTJHJ-TUNNFDKTSA-N 0 3 457.623 2.733 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2CCc2scnc2C)CCN1CCOC ZINC001294077391 1066546350 /nfs/dbraw/zinc/54/63/50/1066546350.db2.gz OKLCAWACZCXYDB-GOSISDBHSA-N 0 3 456.620 2.680 20 0 JFADHN CCC[C@H]1CN(c2nnc(C3CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCN1CCOC ZINC001294080189 1066548738 /nfs/dbraw/zinc/54/87/38/1066548738.db2.gz COKZGOSHHSHSRN-MJGOQNOKSA-N 0 3 458.573 2.977 20 0 JFADHN CCC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001294092054 1066563036 /nfs/dbraw/zinc/56/30/36/1066563036.db2.gz SVSBUKKJVBJAPL-FYYLOGMGSA-N 0 3 486.636 2.956 20 0 JFADHN CC(C)(c1ccnc(Cl)c1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@H]2C1 ZINC001164430393 718956482 /nfs/dbraw/zinc/95/64/82/718956482.db2.gz UDOCOQWAPRACHB-CPJSRVTESA-N 0 3 485.032 2.838 20 0 JFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3nc(Cl)cc(N4CCOCC4)n3)CC2)CC1 ZINC001164613728 719023600 /nfs/dbraw/zinc/02/36/00/719023600.db2.gz AXTAMVSMWAIKHO-UHFFFAOYSA-N 0 3 487.979 2.755 20 0 JFADHN CCOC(=O)c1cnc(-c2cccs2)nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744274 720676602 /nfs/dbraw/zinc/67/66/02/720676602.db2.gz YYZPPRWDERYKIA-CVEARBPZSA-N 0 3 452.540 2.514 20 0 JFADHN CS(=O)(=O)c1cc(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)cnc1Cl ZINC001164844861 720741437 /nfs/dbraw/zinc/74/14/37/720741437.db2.gz UTLMZCPIDFTSKA-UHFFFAOYSA-N 0 3 459.950 2.932 20 0 JFADHN CCOC(=O)c1ccc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164737479 720751120 /nfs/dbraw/zinc/75/11/20/720751120.db2.gz BVUDTDBCTXSXIA-HOTGVXAUSA-N 0 3 454.918 2.592 20 0 JFADHN CCOC(=O)c1ccc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164737478 720751873 /nfs/dbraw/zinc/75/18/73/720751873.db2.gz BVUDTDBCTXSXIA-CVEARBPZSA-N 0 3 454.918 2.592 20 0 JFADHN CS(=O)(=O)c1cccnc1N1CC[C@]2(CN(CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001164755295 720881969 /nfs/dbraw/zinc/88/19/69/720881969.db2.gz VVGFUGCDDYCAJC-URXFXBBRSA-N 0 3 456.612 2.635 20 0 JFADHN CS(=O)(=O)c1ccc(N2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCc3cccnc3)C2)nc1 ZINC001164752370 720906317 /nfs/dbraw/zinc/90/63/17/720906317.db2.gz NYHWAQQGDJQLJM-ZJSXRUAMSA-N 0 3 456.612 2.635 20 0 JFADHN c1ccc(CN2CCc3ncnc(N4CCN5C[C@H](OCc6cccnc6)C[C@H]5C4)c3C2)cc1 ZINC001164868628 721058481 /nfs/dbraw/zinc/05/84/81/721058481.db2.gz OVAJASQLBKQOJP-BJKOFHAPSA-N 0 3 456.594 2.910 20 0 JFADHN CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c21 ZINC001164764468 721075567 /nfs/dbraw/zinc/07/55/67/721075567.db2.gz HUAJXEOUMRKIOL-RBUKOAKNSA-N 0 3 459.554 2.751 20 0 JFADHN CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867647 721119672 /nfs/dbraw/zinc/11/96/72/721119672.db2.gz ZFZUSRBQQXUHRI-FGZHOGPDSA-N 0 3 460.582 2.890 20 0 JFADHN CS(=O)(=O)c1ccc(Oc2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164875468 721126450 /nfs/dbraw/zinc/12/64/50/721126450.db2.gz LQTIYMJLRYSDRO-FPOVZHCZSA-N 0 3 481.578 2.547 20 0 JFADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5c4ccn5COC(=O)C(C)(C)C)C[C@H]3C2)cn1 ZINC001164774132 721134748 /nfs/dbraw/zinc/13/47/48/721134748.db2.gz ZURVDPAGWBHRLT-RTBURBONSA-N 0 3 451.575 2.670 20 0 JFADHN Cn1cc(CN2CC[C@H]3CN(c4ncccc4C(=O)N4CCN(Cc5ccccc5)CC4)C[C@H]3C2)cn1 ZINC001164762092 721162055 /nfs/dbraw/zinc/16/20/55/721162055.db2.gz BWNRKNPDBSGASU-IZZNHLLZSA-N 0 3 499.663 2.731 20 0 JFADHN Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164765731 721199882 /nfs/dbraw/zinc/19/98/82/721199882.db2.gz IDHJBGLVFYRTLZ-SFTDATJTSA-N 0 3 481.670 2.832 20 0 JFADHN CCc1cc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc(N2CCOCC2)n1 ZINC001164780639 721358464 /nfs/dbraw/zinc/35/84/64/721358464.db2.gz GCQWDYILIIHLGR-RUZDIDTESA-N 0 3 470.618 2.599 20 0 JFADHN c1csc(N2[C@@H](Cn3cncn3)C[C@H]3CN(c4ncccc4CN4CCCC4)CC[C@H]32)n1 ZINC001164900642 721495347 /nfs/dbraw/zinc/49/53/47/721495347.db2.gz RJDJPVFADRNSGX-PWRODBHTSA-N 0 3 450.616 2.899 20 0 JFADHN CCOC(=O)c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C(=O)OCC ZINC001164907002 721568201 /nfs/dbraw/zinc/56/82/01/721568201.db2.gz LTZCWGWFYGTXCP-IEBWSBKVSA-N 0 3 457.502 2.916 20 0 JFADHN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982718 722101470 /nfs/dbraw/zinc/10/14/70/722101470.db2.gz OCISFHDGSSMFEO-FUHWJXTLSA-N 0 3 481.931 2.974 20 0 JFADHN FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982854 722105725 /nfs/dbraw/zinc/10/57/25/722105725.db2.gz PNCOLPXCWSSEOS-RBUKOAKNSA-N 0 3 494.974 2.634 20 0 JFADHN CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164977075 722143793 /nfs/dbraw/zinc/14/37/93/722143793.db2.gz IMASQOBNICPPHI-IEIRFRATSA-N 0 3 473.643 2.671 20 0 JFADHN Cc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n(C2CC[NH+](C)CC2)n1 ZINC001265653378 1059905421 /nfs/dbraw/zinc/90/54/21/1059905421.db2.gz YPJDQOSWCSMAEY-UHFFFAOYSA-N 0 3 451.568 2.926 20 0 JFADHN COc1ccc(-n2c(C)nnc2SCC(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)cc1 ZINC001279601490 1059985886 /nfs/dbraw/zinc/98/58/86/1059985886.db2.gz MNXFIKZHJBVCSX-IBGZPJMESA-N 0 3 459.616 2.778 20 0 JFADHN Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H](c2cccs2)N(C)C)o1 ZINC001289576653 1061222352 /nfs/dbraw/zinc/22/23/52/1061222352.db2.gz KIHPFEIICSWHBO-KRWDZBQOSA-N 0 3 458.588 2.682 20 0 JFADHN Cc1ccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@H](c2ccsc2)N(C)C)o1 ZINC001289587280 1061232319 /nfs/dbraw/zinc/23/23/19/1061232319.db2.gz XHKUCJUCKWHLJO-IEBWSBKVSA-N 0 3 492.671 2.977 20 0 JFADHN Cc1ccc(-c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2C[C@@H](c2ccsc2)N(C)C)o1 ZINC001289587278 1061232378 /nfs/dbraw/zinc/23/23/78/1061232378.db2.gz XHKUCJUCKWHLJO-HKUYNNGSSA-N 0 3 492.671 2.977 20 0 JFADHN Cc1ccc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2CCCOC(F)(F)F)o1 ZINC001289595363 1061238576 /nfs/dbraw/zinc/23/85/76/1061238576.db2.gz IZUAUJQEOYNTRD-UHFFFAOYSA-N 0 3 470.496 2.517 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CCCOc3ccc(C)cc3)C[C@@H]2C)CC1 ZINC001286868513 1061257061 /nfs/dbraw/zinc/25/70/61/1061257061.db2.gz BFEWUJWDKFXDLM-GBXCKJPGSA-N 0 3 454.619 2.743 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(Cc4cccnc4)n3CCOCCC(C)C)C[C@H]2C)CC1 ZINC001286868904 1061259549 /nfs/dbraw/zinc/25/95/49/1061259549.db2.gz CHXOWLDTMVOEPF-RDGATRHJSA-N 0 3 497.688 2.706 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccn4C)n3CCOCCC(C)C)C[C@H]2C)CC1 ZINC001286870274 1061264843 /nfs/dbraw/zinc/26/48/43/1061264843.db2.gz INKOBRQZTYOKER-QPPBQGQZSA-N 0 3 485.677 2.725 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cnccn4)n3CCCC(C)C)C[C@@H]2C)CC1 ZINC001286870247 1061264909 /nfs/dbraw/zinc/26/49/09/1061264909.db2.gz IIXXTLLSSLMFLA-SIKLNZKXSA-N 0 3 454.623 2.550 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC4CC4)n3CCSC(F)(F)F)C[C@H]2C)CC1 ZINC001286871440 1061272429 /nfs/dbraw/zinc/27/24/29/1061272429.db2.gz OFKGNHNWNAARAJ-QAPCUYQASA-N 0 3 474.597 2.863 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCc3cccnc3)C[C@@H]2C)CC1 ZINC001286872372 1061278064 /nfs/dbraw/zinc/27/80/64/1061278064.db2.gz UYFVKNMTXBDGCZ-SIKLNZKXSA-N 0 3 453.635 2.592 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3CC3(O)CCCCC3)C[C@H]2C)CC1 ZINC001286872591 1061278712 /nfs/dbraw/zinc/27/87/12/1061278712.db2.gz WTFSDIGSZUMUGO-IRLDBZIGSA-N 0 3 460.667 2.551 20 0 JFADHN CC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001286872826 1061282031 /nfs/dbraw/zinc/28/20/31/1061282031.db2.gz ULQJOFREDPUQSU-BVAGGSTKSA-N 0 3 484.645 2.599 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3cccc(O)c3)C[C@H]2C)CC1 ZINC001286872951 1061282921 /nfs/dbraw/zinc/28/29/21/1061282921.db2.gz ZEWBJKJCNJRTFR-XXBNENTESA-N 0 3 468.646 3.000 20 0 JFADHN CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001286877987 1061296659 /nfs/dbraw/zinc/29/66/59/1061296659.db2.gz MLKFPKOUZOVVNE-UHFFFAOYSA-N 0 3 451.550 2.588 20 0 JFADHN CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CCN(C)C(C)(C)C2)[C@H](C)C1 ZINC001286888730 1061343307 /nfs/dbraw/zinc/34/33/07/1061343307.db2.gz QMYVGBVJNZLVDL-OAQYLSRUSA-N 0 3 499.729 2.962 20 0 JFADHN Cc1ccc(OC2CCN(c3nnc(C(=O)NC(C)C)n3CCN3CCN(C)C(C)(C)C3)CC2)cc1 ZINC001289769805 1061391644 /nfs/dbraw/zinc/39/16/44/1061391644.db2.gz VEVHZXXDBKLKHZ-UHFFFAOYSA-N 0 3 497.688 2.799 20 0 JFADHN CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001286907617 1061437598 /nfs/dbraw/zinc/43/75/98/1061437598.db2.gz CYDCEAGPWNYLLT-IRLDBZIGSA-N 0 3 451.550 2.887 20 0 JFADHN Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C)CN2CCCC2)cc1C ZINC001289810608 1061457014 /nfs/dbraw/zinc/45/70/14/1061457014.db2.gz VOJAYAQPPKARND-XMSQKQJNSA-N 0 3 475.659 2.829 20 0 JFADHN CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001286910995 1061460165 /nfs/dbraw/zinc/46/01/65/1061460165.db2.gz DXFPYKPTXVJJFL-PMACEKPBSA-N 0 3 453.616 2.733 20 0 JFADHN CC(=O)N[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001286914761 1061487459 /nfs/dbraw/zinc/48/74/59/1061487459.db2.gz ZGFFWWUJLKADGS-XZOQPEGZSA-N 0 3 482.608 2.687 20 0 JFADHN CC(=O)NC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001286931522 1061557871 /nfs/dbraw/zinc/55/78/71/1061557871.db2.gz YELWIWBTCCAIDX-QHCPKHFHSA-N 0 3 496.635 2.763 20 0 JFADHN Cc1cccc(C(=O)NCCn2c(C(C)C)nnc2N2CCN(CC3CCOCC3)CC2)c1 ZINC001289890280 1061575450 /nfs/dbraw/zinc/57/54/50/1061575450.db2.gz VKCQPLNFYNZWBA-UHFFFAOYSA-N 0 3 454.619 2.689 20 0 JFADHN CC(=O)NCC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001286936319 1061577790 /nfs/dbraw/zinc/57/77/90/1061577790.db2.gz ZMODLBDFPWPJKY-DEOSSOPVSA-N 0 3 478.645 2.795 20 0 JFADHN CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001286940924 1061585584 /nfs/dbraw/zinc/58/55/84/1061585584.db2.gz ISXXRAZWMPTXHA-ZWKOTPCHSA-N 0 3 458.588 2.552 20 0 JFADHN Cc1cccc(C)c1NC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001289901947 1061588107 /nfs/dbraw/zinc/58/81/07/1061588107.db2.gz NQNUGVFYMXFXLL-OAQYLSRUSA-N 0 3 495.672 2.865 20 0 JFADHN CC(=O)NCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001286950913 1061686178 /nfs/dbraw/zinc/68/61/78/1061686178.db2.gz BLFARIRAQCHADL-UHFFFAOYSA-N 0 3 497.692 2.537 20 0 JFADHN CC(=O)NCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001286951946 1061693428 /nfs/dbraw/zinc/69/34/28/1061693428.db2.gz MEPDVOQBPSOFEK-QFIPXVFZSA-N 0 3 470.618 2.875 20 0 JFADHN CCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001294195303 1061703701 /nfs/dbraw/zinc/70/37/01/1061703701.db2.gz AUDKHHPLWRNASX-UGKGYDQZSA-N 0 3 470.618 2.970 20 0 JFADHN CCCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001294196965 1061704691 /nfs/dbraw/zinc/70/46/91/1061704691.db2.gz SOVCVUHWXDXBMN-HXUWFJFHSA-N 0 3 493.697 2.849 20 0 JFADHN Cc1cccc([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCCN3CCC[C@@H]3C(=O)N(C)C)C2)c1 ZINC001290000633 1061724390 /nfs/dbraw/zinc/72/43/90/1061724390.db2.gz GDCCJYRKEHUVHK-DHIUTWEWSA-N 0 3 495.672 2.661 20 0 JFADHN CC1CCN([C@@H](CNC(=O)CNc2ccc(S(N)(=O)=O)cc2F)c2cccs2)CC1 ZINC001290021250 1061743327 /nfs/dbraw/zinc/74/33/27/1061743327.db2.gz CMGIMUSSRVPUQP-SFHVURJKSA-N 0 3 454.593 2.536 20 0 JFADHN CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001294261660 1061763608 /nfs/dbraw/zinc/76/36/08/1061763608.db2.gz YCORFTRPXBAKRT-UHFFFAOYSA-N 0 3 461.632 2.697 20 0 JFADHN CCCCN1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001294309613 1061800059 /nfs/dbraw/zinc/80/00/59/1061800059.db2.gz CBEQXKWVKIALHN-RBUKOAKNSA-N 0 3 450.653 2.808 20 0 JFADHN Cc1cccc(OCc2nnc(N3CCN(C4CCC(C)CC4)CC3)n2CC(=O)N(C)C)c1 ZINC001290075472 1061804552 /nfs/dbraw/zinc/80/45/52/1061804552.db2.gz XUBFERLWGSZEPZ-UHFFFAOYSA-N 0 3 454.619 2.954 20 0 JFADHN C[C@H]([C@H](C)N(C)c1nnc(Cc2ccncc2)n1CC(C)(C)CN1CCCC1)S(C)(=O)=O ZINC001286979361 1061805663 /nfs/dbraw/zinc/80/56/63/1061805663.db2.gz YNFHXJKOGIOGQB-RBUKOAKNSA-N 0 3 462.664 2.644 20 0 JFADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCCCC1 ZINC001286983455 1061835796 /nfs/dbraw/zinc/83/57/96/1061835796.db2.gz VZYRYURCUKEWNM-MOPGFXCFSA-N 0 3 491.658 2.850 20 0 JFADHN Cc1ccccc1Cc1nnc(N(C)CCN2CCOC(C)(C)C2)n1CCN1CC=CCC1 ZINC001290152452 1061894220 /nfs/dbraw/zinc/89/42/20/1061894220.db2.gz IXUCWRGVKYZBRT-UHFFFAOYSA-N 0 3 452.647 2.986 20 0 JFADHN CCCCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCN2CC)CC1 ZINC001294349328 1061913949 /nfs/dbraw/zinc/91/39/49/1061913949.db2.gz OPEMZJAVVHVNJC-HXUWFJFHSA-N 0 3 482.633 2.542 20 0 JFADHN Cc1ccccc1O[C@H](C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001290204724 1061948448 /nfs/dbraw/zinc/94/84/48/1061948448.db2.gz NNGHMNFQJCLDFP-FGZHOGPDSA-N 0 3 468.646 2.995 20 0 JFADHN CCCCOCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001294410049 1061977103 /nfs/dbraw/zinc/97/71/03/1061977103.db2.gz GQEVXKRJUZDTQL-JOCHJYFZSA-N 0 3 472.609 2.568 20 0 JFADHN CC1=CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001290230329 1061978875 /nfs/dbraw/zinc/97/88/75/1061978875.db2.gz YKPYCNFFMJFFLK-JOCHJYFZSA-N 0 3 452.603 2.864 20 0 JFADHN CC(C)(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001287030067 1061980306 /nfs/dbraw/zinc/98/03/06/1061980306.db2.gz IPAMUMXJXPSDRF-VXKWHMMOSA-N 0 3 468.646 2.860 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(C3CCC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001287041162 1062008359 /nfs/dbraw/zinc/00/83/59/1062008359.db2.gz GOAYIZBQYHXBES-UHFFFAOYSA-N 0 3 474.675 2.994 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCCCS(C)(=O)=O)CC1 ZINC001287042058 1062010500 /nfs/dbraw/zinc/01/05/00/1062010500.db2.gz XSBBLQIGVBNCMV-FQEVSTJZSA-N 0 3 469.696 2.945 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(N)=O)c2)CC1 ZINC001287042044 1062010756 /nfs/dbraw/zinc/01/07/56/1062010756.db2.gz XGBCCUKUEJUFRR-UHFFFAOYSA-N 0 3 461.614 2.969 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001287042819 1062013464 /nfs/dbraw/zinc/01/34/64/1062013464.db2.gz IGTJLGRTVVODPQ-UHFFFAOYSA-N 0 3 488.543 2.620 20 0 JFADHN CC(C)(C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(C)(C)C)CC1 ZINC001287046396 1062028341 /nfs/dbraw/zinc/02/83/41/1062028341.db2.gz NMAWFSUCWDEAJX-UHFFFAOYSA-N 0 3 456.591 2.899 20 0 JFADHN CCCN(CC)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001294506498 1062044517 /nfs/dbraw/zinc/04/45/17/1062044517.db2.gz KKRWGOZXBCTSOI-QHCPKHFHSA-N 0 3 461.632 2.701 20 0 JFADHN COc1ccc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1S(=O)(=O)NC1CC1 ZINC001294509942 1062046495 /nfs/dbraw/zinc/04/64/95/1062046495.db2.gz LHQXWIVSVWPDJU-OAQYLSRUSA-N 0 3 457.596 2.873 20 0 JFADHN C[C@@H](C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC001290321201 1062047084 /nfs/dbraw/zinc/04/70/84/1062047084.db2.gz YEUGATXKRNCNNQ-QHCPKHFHSA-N 0 3 454.659 2.876 20 0 JFADHN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCN(C(C)(C)C)CC3)n2CC2(O)CC2)C1 ZINC001287052770 1062056912 /nfs/dbraw/zinc/05/69/12/1062056912.db2.gz JRHNMGATBLQSRJ-GOSISDBHSA-N 0 3 462.639 2.838 20 0 JFADHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001294523175 1062059137 /nfs/dbraw/zinc/05/91/37/1062059137.db2.gz XIDXTZHSDCLOIJ-YADHBBJMSA-N 0 3 459.660 2.981 20 0 JFADHN CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@](C)(O)C1CC1 ZINC001287056390 1062075937 /nfs/dbraw/zinc/07/59/37/1062075937.db2.gz GTVOGKCKAUVICB-CLOONOSVSA-N 0 3 492.665 2.668 20 0 JFADHN C[C@@H](C(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C)N1CCC(Cc2ccccc2)CC1 ZINC001294571986 1062085571 /nfs/dbraw/zinc/08/55/71/1062085571.db2.gz GHEPNEIJWTYQDH-NZQKXSOJSA-N 0 3 458.647 2.997 20 0 JFADHN C[C@@H](C(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C)N1CCC(Cc2ccccc2)CC1 ZINC001294571992 1062085663 /nfs/dbraw/zinc/08/56/63/1062085663.db2.gz GHEPNEIJWTYQDH-REWPJTCUSA-N 0 3 458.647 2.997 20 0 JFADHN Cc1nc(Cc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@@H](C)C[C@H](C)C2)cs1 ZINC001290385122 1062088636 /nfs/dbraw/zinc/08/86/36/1062088636.db2.gz HGSIDDVKHMTRBG-ABSDTBQOSA-N 0 3 480.704 2.625 20 0 JFADHN Cc1nc(Cc2nnc(N(C)Cc3nccs3)n2CCN2CCN(C)C(C)(C)C2)cs1 ZINC001290396847 1062097062 /nfs/dbraw/zinc/09/70/62/1062097062.db2.gz AGFZNTWJIWTBEI-UHFFFAOYSA-N 0 3 460.677 2.753 20 0 JFADHN Cc1nc(Cc2nnc(N3C[C@@H]4CCCN4C[C@@H]3C)n2CC[S@](=O)C(C)(C)C)cs1 ZINC001290410086 1062125253 /nfs/dbraw/zinc/12/52/53/1062125253.db2.gz WUFGWXQKQORWDB-JUMZHAFNSA-N 0 3 450.678 2.854 20 0 JFADHN Cc1nc(Cc2nnc(N3C[C@@H]4CCCN4C[C@H]3C)n2CC[S@](=O)C(C)(C)C)cs1 ZINC001290410088 1062125378 /nfs/dbraw/zinc/12/53/78/1062125378.db2.gz WUFGWXQKQORWDB-NQUPLYSKSA-N 0 3 450.678 2.854 20 0 JFADHN Cc1nc(Cc2nnc(N3C[C@@H]4CCCN4C[C@@H]3C)n2CC[S@@](=O)C(C)(C)C)cs1 ZINC001290410089 1062125413 /nfs/dbraw/zinc/12/54/13/1062125413.db2.gz WUFGWXQKQORWDB-YSBVSIELSA-N 0 3 450.678 2.854 20 0 JFADHN Cc1nc(Cc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H](c2cccs2)N(C)C)cs1 ZINC001290410433 1062126293 /nfs/dbraw/zinc/12/62/93/1062126293.db2.gz CWIJHBKBFFPVED-HRAATJIYSA-N 0 3 459.645 2.700 20 0 JFADHN CCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001294616703 1062126390 /nfs/dbraw/zinc/12/63/90/1062126390.db2.gz KQOCPKNIZDJWJR-VGSWGCGISA-N 0 3 460.573 2.936 20 0 JFADHN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H]3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)cs1 ZINC001290413201 1062132035 /nfs/dbraw/zinc/13/20/35/1062132035.db2.gz BVVACHAXLGJLAW-QKLQHJQFSA-N 0 3 459.664 2.811 20 0 JFADHN Cc1nc(Cc2nnc(N3CCN(C(C)(C)C)CC3)n2CCNC(=O)c2ccco2)cs1 ZINC001290432716 1062196380 /nfs/dbraw/zinc/19/63/80/1062196380.db2.gz QVTTXVJOPHXWHV-UHFFFAOYSA-N 0 3 457.604 2.577 20 0 JFADHN CCCN1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(OC)c(F)c2)C1 ZINC001294658356 1062203818 /nfs/dbraw/zinc/20/38/18/1062203818.db2.gz PBZQGQARWROPGD-MOPGFXCFSA-N 0 3 479.622 2.696 20 0 JFADHN CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001294659827 1062208600 /nfs/dbraw/zinc/20/86/00/1062208600.db2.gz YEYBTISLWWJFFL-LJQANCHMSA-N 0 3 455.669 2.554 20 0 JFADHN CCCN1CC[C@@H](Cn2c(COc3ccccc3OC)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294667398 1062222445 /nfs/dbraw/zinc/22/24/45/1062222445.db2.gz ZPGDKGGYULRHOG-UXHICEINSA-N 0 3 491.658 2.611 20 0 JFADHN CCCN1CC[C@H](Cn2c(COc3cc(C)ccc3C)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001294670352 1062228125 /nfs/dbraw/zinc/22/81/25/1062228125.db2.gz SMKLCANDIYSGOB-SFTDATJTSA-N 0 3 475.659 2.829 20 0 JFADHN CCCN1CC[C@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294672106 1062231079 /nfs/dbraw/zinc/23/10/79/1062231079.db2.gz YJLJFYLCASGMGE-RBBKRZOGSA-N 0 3 475.659 2.911 20 0 JFADHN CCCN1CC[C@@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294672105 1062231316 /nfs/dbraw/zinc/23/13/16/1062231316.db2.gz YJLJFYLCASGMGE-IRLDBZIGSA-N 0 3 475.659 2.911 20 0 JFADHN CCCN1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2CC2([S@](C)=O)CCC2)CC1 ZINC001294687147 1062247476 /nfs/dbraw/zinc/24/74/76/1062247476.db2.gz VTDHTRZHHHONRA-YTTGMZPUSA-N 0 3 461.680 2.752 20 0 JFADHN CCCN1CCCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)CCS(C)(=O)=O ZINC001294695884 1062256642 /nfs/dbraw/zinc/25/66/42/1062256642.db2.gz ARCKCNGZMRBCBT-HXUWFJFHSA-N 0 3 491.658 2.852 20 0 JFADHN Cc1nccn1CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001290511333 1062310152 /nfs/dbraw/zinc/31/01/52/1062310152.db2.gz RBEOZBJPBJWXLJ-UHFFFAOYSA-N 0 3 456.639 2.668 20 0 JFADHN CCCN1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1=O ZINC001294733192 1062314223 /nfs/dbraw/zinc/31/42/23/1062314223.db2.gz LBRUHQHFDKLAPM-FGZHOGPDSA-N 0 3 454.619 2.842 20 0 JFADHN CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCCOC3)n2CCN(C)Cc2ccccc2)CC1 ZINC001287110949 1062325914 /nfs/dbraw/zinc/32/59/14/1062325914.db2.gz XUHQLVYYWKZTTF-HSZRJFAPSA-N 0 3 468.646 2.999 20 0 JFADHN CCCN1CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001294744794 1062337229 /nfs/dbraw/zinc/33/72/29/1062337229.db2.gz DKSOGBCFCHTQHQ-KRWDZBQOSA-N 0 3 469.558 2.656 20 0 JFADHN CCCn1nc(-c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2CC(=O)NC(C)C)c2ccccc2c1=O ZINC001294768368 1062362623 /nfs/dbraw/zinc/36/26/23/1062362623.db2.gz NPYZCRJTZAWZRN-OALUTQOASA-N 0 3 494.644 2.509 20 0 JFADHN Cc1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCN(CC(C)C)CC2)n(C)n1 ZINC001290566051 1062368815 /nfs/dbraw/zinc/36/88/15/1062368815.db2.gz QCZJQPQCGWFYIH-UHFFFAOYSA-N 0 3 461.412 2.904 20 0 JFADHN Cc1cc(C)n([C@H]2CCCN(c3nnc(C(C)C)n3CCCN3CCC[C@@H]3C(=O)N(C)C)C2)n1 ZINC001290581591 1062387712 /nfs/dbraw/zinc/38/77/12/1062387712.db2.gz NRKJVFPIZOGMMR-FCHUYYIVSA-N 0 3 470.666 2.999 20 0 JFADHN CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001294788221 1062393982 /nfs/dbraw/zinc/39/39/82/1062393982.db2.gz DIGVCCTUOOAMNV-CTNGQTDRSA-N 0 3 471.650 2.615 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@@H](c2cccs2)N(C)C)n1 ZINC001290590666 1062406070 /nfs/dbraw/zinc/40/60/70/1062406070.db2.gz NMAXSOKVQHUILV-SFHVURJKSA-N 0 3 472.663 2.855 20 0 JFADHN C[C@H]1C[C@H](NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CN1Cc1ccccc1 ZINC001294801248 1062444186 /nfs/dbraw/zinc/44/41/86/1062444186.db2.gz GBXZKBMDLBQBPH-YOEHRIQHSA-N 0 3 456.340 2.824 20 0 JFADHN CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccco1)N1CCCC1 ZINC001287133882 1062446644 /nfs/dbraw/zinc/44/66/44/1062446644.db2.gz XAEZBZHMVRPGCM-WOJBJXKFSA-N 0 3 458.607 2.811 20 0 JFADHN CCCNC(=O)[C@H]1CCCN(c2nnc(CC3CCCC3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001294809618 1062463788 /nfs/dbraw/zinc/46/37/88/1062463788.db2.gz BKIMZYRRAUZFKS-GMAHTHKFSA-N 0 3 473.710 2.779 20 0 JFADHN CCCNC(=O)C1CCN(c2nnc(C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001294815224 1062494463 /nfs/dbraw/zinc/49/44/63/1062494463.db2.gz JPMCQMHPCKVUQF-HSZRJFAPSA-N 0 3 454.619 2.620 20 0 JFADHN CC(C)[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001287146285 1062511837 /nfs/dbraw/zinc/51/18/37/1062511837.db2.gz PWOIOYVNNIDZNL-IIBYNOLFSA-N 0 3 481.439 2.601 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2CC2CN(C(=O)OC(C)(C)C)C2)n1 ZINC001290644894 1062533241 /nfs/dbraw/zinc/53/32/41/1062533241.db2.gz ASNHCOUMMMHENX-UHFFFAOYSA-N 0 3 486.665 2.785 20 0 JFADHN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C3CC3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001287153987 1062533333 /nfs/dbraw/zinc/53/33/33/1062533333.db2.gz VLPFABSXOOUSSY-IBGZPJMESA-N 0 3 459.683 2.559 20 0 JFADHN CC(C)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001287159517 1062556434 /nfs/dbraw/zinc/55/64/34/1062556434.db2.gz BYPOPMMIPCBIOS-FPOVZHCZSA-N 0 3 463.623 2.752 20 0 JFADHN CCCNC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001294858447 1062558994 /nfs/dbraw/zinc/55/89/94/1062558994.db2.gz BAOLQPGFDWVTIN-HXUWFJFHSA-N 0 3 475.037 2.597 20 0 JFADHN Cc1cc(C)n(C[C@@H]2CN(c3nnc(CC(C)(C)C)n3CCN3CCN(C)C(C)(C)C3)CCO2)n1 ZINC001290660401 1062566702 /nfs/dbraw/zinc/56/67/02/1062566702.db2.gz MPOHXNYXBXGVRG-QFIPXVFZSA-N 0 3 486.709 2.611 20 0 JFADHN CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001287164620 1062574431 /nfs/dbraw/zinc/57/44/31/1062574431.db2.gz LIDUBWHJQBHILU-HSALFYBXSA-N 0 3 453.653 2.654 20 0 JFADHN CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001287164623 1062574494 /nfs/dbraw/zinc/57/44/94/1062574494.db2.gz LIDUBWHJQBHILU-XUVXKRRUSA-N 0 3 453.653 2.654 20 0 JFADHN CC(C)c1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1CCN1CCOC(C)(C)C1 ZINC001287185656 1062611000 /nfs/dbraw/zinc/61/10/00/1062611000.db2.gz LXAVMWWWQHDTBP-RBBKRZOGSA-N 0 3 472.682 2.765 20 0 JFADHN CC(C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001287191198 1062616766 /nfs/dbraw/zinc/61/67/66/1062616766.db2.gz AERDDNBXPOBUIG-AOMKIAJQSA-N 0 3 459.620 2.580 20 0 JFADHN CC(C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCCNC(=O)c1cccc(O)c1 ZINC001287200574 1062639325 /nfs/dbraw/zinc/63/93/25/1062639325.db2.gz GAXPVLODIOYFRO-JOCHJYFZSA-N 0 3 483.661 2.532 20 0 JFADHN CC(C)c1nnc(N2CCC(O)(c3ccccc3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001287203851 1062648038 /nfs/dbraw/zinc/64/80/38/1062648038.db2.gz ZXTAAAUUJQHESH-JOCHJYFZSA-N 0 3 468.646 2.832 20 0 JFADHN CC(C)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCCN1CCN(c2ccccc2)CC1 ZINC001287205797 1062651577 /nfs/dbraw/zinc/65/15/77/1062651577.db2.gz DOQCXCHQHLIYPW-NRFANRHFSA-N 0 3 453.635 2.706 20 0 JFADHN CCCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001294911560 1062664884 /nfs/dbraw/zinc/66/48/84/1062664884.db2.gz CEIQXVMAPAHZAR-HSZRJFAPSA-N 0 3 497.688 2.605 20 0 JFADHN CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001287214127 1062674946 /nfs/dbraw/zinc/67/49/46/1062674946.db2.gz IWBKJRRFTGTABH-IBGZPJMESA-N 0 3 479.551 2.801 20 0 JFADHN CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCOc1cccc(Cl)c1 ZINC001287214204 1062676424 /nfs/dbraw/zinc/67/64/24/1062676424.db2.gz KFPOEBAGQTYVJD-HXUWFJFHSA-N 0 3 461.010 2.877 20 0 JFADHN Cc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001290769531 1062685250 /nfs/dbraw/zinc/68/52/50/1062685250.db2.gz JKILBFJWETYVSS-SFHVURJKSA-N 0 3 456.488 2.923 20 0 JFADHN CC(C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001287220418 1062704619 /nfs/dbraw/zinc/70/46/19/1062704619.db2.gz VZHFUZIZVPHNNX-ROUUACIJSA-N 0 3 458.573 2.975 20 0 JFADHN Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001290829094 1062722450 /nfs/dbraw/zinc/72/24/50/1062722450.db2.gz QVEYQHBACGURCX-BJKOFHAPSA-N 0 3 468.646 2.866 20 0 JFADHN CCN1CCN(Cc2ccc(NC(=O)CN3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)cc2)CC1 ZINC001290854820 1062738708 /nfs/dbraw/zinc/73/87/08/1062738708.db2.gz YFWUZYNNDMQERA-VWLOTQADSA-N 0 3 455.603 2.653 20 0 JFADHN CC(C)[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001287270731 1062745216 /nfs/dbraw/zinc/74/52/16/1062745216.db2.gz DELMTDFWIXWBHR-LJQANCHMSA-N 0 3 473.691 2.778 20 0 JFADHN CCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)cn1 ZINC001294969387 1062751724 /nfs/dbraw/zinc/75/17/24/1062751724.db2.gz UYZBXZXRPSCTDE-RTBURBONSA-N 0 3 455.607 2.552 20 0 JFADHN CC(C)[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCC2)CCO1 ZINC001287277498 1062754743 /nfs/dbraw/zinc/75/47/43/1062754743.db2.gz RKDWTUHTLHJWBU-HXUWFJFHSA-N 0 3 461.632 2.694 20 0 JFADHN Cc1nnc(N2CCN(C[C@H](O)COc3ccccc3)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001290872344 1062758337 /nfs/dbraw/zinc/75/83/37/1062758337.db2.gz ZFNXRXPBJRCKIS-GMAHTHKFSA-N 0 3 470.643 2.513 20 0 JFADHN Cc1nnc(N2CCN(C[C@@H](O)COc3ccccc3)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001290872343 1062758409 /nfs/dbraw/zinc/75/84/09/1062758409.db2.gz ZFNXRXPBJRCKIS-GGAORHGYSA-N 0 3 470.643 2.513 20 0 JFADHN Cc1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1CC1(N2CCOCC2)CCCCC1 ZINC001290876487 1062760308 /nfs/dbraw/zinc/76/03/08/1062760308.db2.gz NJIHDIHBEAMESC-UHFFFAOYSA-N 0 3 488.599 2.713 20 0 JFADHN Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001290877365 1062762312 /nfs/dbraw/zinc/76/23/12/1062762312.db2.gz URMYGFZEWXATJO-RTWAWAEBSA-N 0 3 462.639 2.925 20 0 JFADHN CCN1CCN(Cc2ccc(CNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F)cc2)CC1 ZINC001290920037 1062795528 /nfs/dbraw/zinc/79/55/28/1062795528.db2.gz BVJDYTTXBGWYKA-IBGZPJMESA-N 0 3 454.562 2.989 20 0 JFADHN CCN1CCN(Cc2ccc(CNC(=O)c3cccc(S(=O)(=O)C(F)F)c3)cc2)CC1 ZINC001290921022 1062796589 /nfs/dbraw/zinc/79/65/89/1062796589.db2.gz SAZOHWDEXWGAGS-UHFFFAOYSA-N 0 3 451.539 2.750 20 0 JFADHN CC(C)C[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001287321891 1062799911 /nfs/dbraw/zinc/79/99/11/1062799911.db2.gz LGAVDKONZXTUFQ-WOJBJXKFSA-N 0 3 485.658 2.935 20 0 JFADHN Cc1noc(C)c1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(C)C)CC1 ZINC001290937784 1062813275 /nfs/dbraw/zinc/81/32/75/1062813275.db2.gz ZHRHTVGBLLSTQM-UHFFFAOYSA-N 0 3 457.604 2.701 20 0 JFADHN CC(C)Cc1nnc(N(C)C[C@H]2COc3ccccc3O2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001287373077 1062832723 /nfs/dbraw/zinc/83/27/23/1062832723.db2.gz VAXRZLSSWIUKFA-SFTDATJTSA-N 0 3 484.645 2.696 20 0 JFADHN CCN(C)C(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001295054560 1062858000 /nfs/dbraw/zinc/85/80/00/1062858000.db2.gz BDJGQCQNBDCRQM-OALUTQOASA-N 0 3 488.608 2.725 20 0 JFADHN CCN(C)C(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001295062129 1062875713 /nfs/dbraw/zinc/87/57/13/1062875713.db2.gz GSXQRDJULOJGNQ-UHFFFAOYSA-N 0 3 479.000 2.765 20 0 JFADHN CCN(C)C(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC2CC2)CC1 ZINC001295064809 1062880761 /nfs/dbraw/zinc/88/07/61/1062880761.db2.gz JIOQRASKIABLSD-UHFFFAOYSA-N 0 3 479.398 2.857 20 0 JFADHN CC(C)Cc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001287456640 1062893394 /nfs/dbraw/zinc/89/33/94/1062893394.db2.gz GYICACDNKSCSMF-UHFFFAOYSA-N 0 3 488.702 2.785 20 0 JFADHN CC(C)Cc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001287456825 1062895384 /nfs/dbraw/zinc/89/53/84/1062895384.db2.gz RSIMQGKXYIINGH-QFIPXVFZSA-N 0 3 487.718 2.976 20 0 JFADHN C[C@@H]1C[C@@H](C)CN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCc2nccs2)C1 ZINC001291012552 1062917436 /nfs/dbraw/zinc/91/74/36/1062917436.db2.gz AUGUBYSFOHLFJO-QRVBRYPASA-N 0 3 480.704 2.684 20 0 JFADHN C[C@@H]1C[C@H](C)CN(CCCn2c(Cc3ccccc3F)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001291014390 1062923658 /nfs/dbraw/zinc/92/36/58/1062923658.db2.gz CFHXHPDGIOPNRW-KDURUIRLSA-N 0 3 465.639 2.857 20 0 JFADHN C[C@@H]1C[C@H](C)CN(CCCn2c(CCOc3ccccc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291014947 1062924277 /nfs/dbraw/zinc/92/42/77/1062924277.db2.gz KTWDBONTRAAKEX-FUPPJEDESA-N 0 3 489.686 2.891 20 0 JFADHN CCN(c1nnc(C(=O)NC(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C)C1CCCCC1 ZINC001295133855 1062951026 /nfs/dbraw/zinc/95/10/26/1062951026.db2.gz BBMVNHTVBDRYPJ-HXUWFJFHSA-N 0 3 461.655 2.518 20 0 JFADHN CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295157331 1062980780 /nfs/dbraw/zinc/98/07/80/1062980780.db2.gz ZNUCRPNYJAJMSO-WOJBJXKFSA-N 0 3 463.648 2.943 20 0 JFADHN CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295175702 1062999687 /nfs/dbraw/zinc/99/96/87/1062999687.db2.gz MZFXJHHRJLVOSZ-OALUTQOASA-N 0 3 477.631 2.664 20 0 JFADHN CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295176082 1063000371 /nfs/dbraw/zinc/00/03/71/1063000371.db2.gz NYXDLEQWNKTTOD-LJQANCHMSA-N 0 3 491.658 2.850 20 0 JFADHN CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295175704 1063000419 /nfs/dbraw/zinc/00/04/19/1063000419.db2.gz MZFXJHHRJLVOSZ-RTBURBONSA-N 0 3 477.631 2.664 20 0 JFADHN C[C@@H]1CCC[C@](Cn2c(COc3ccccc3F)nnc2N2CCS(=O)(=O)CC2)(N(C)C)C1 ZINC001291067859 1063014806 /nfs/dbraw/zinc/01/48/06/1063014806.db2.gz GNVKMIBTLCAQRK-JPYJTQIMSA-N 0 3 479.622 2.742 20 0 JFADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC001291068011 1063015534 /nfs/dbraw/zinc/01/55/34/1063015534.db2.gz ICGYGMOBVSXILV-MRSOFBGISA-N 0 3 455.669 2.550 20 0 JFADHN CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295195960 1063017433 /nfs/dbraw/zinc/01/74/33/1063017433.db2.gz UFHGCUZHZGQTFW-UXHICEINSA-N 0 3 460.648 2.782 20 0 JFADHN C[C@@H]1CCC[C@@](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CC(F)C2)(N(C)C)C1 ZINC001291069176 1063017825 /nfs/dbraw/zinc/01/78/25/1063017825.db2.gz XXBSBCNJHWYMDF-OPLVVSIOSA-N 0 3 455.644 2.875 20 0 JFADHN CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295215886 1063028878 /nfs/dbraw/zinc/02/88/78/1063028878.db2.gz BIXIKGUVRZFRHJ-QZTJIDSGSA-N 0 3 481.613 2.892 20 0 JFADHN CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295215884 1063029109 /nfs/dbraw/zinc/02/91/09/1063029109.db2.gz BIXIKGUVRZFRHJ-MSOLQXFVSA-N 0 3 481.613 2.892 20 0 JFADHN CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295229977 1063052899 /nfs/dbraw/zinc/05/28/99/1063052899.db2.gz SPAARASTJCYUHG-RBBKRZOGSA-N 0 3 474.675 2.645 20 0 JFADHN CC(C)CN1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2nccs2)C1 ZINC001287743554 1063071053 /nfs/dbraw/zinc/07/10/53/1063071053.db2.gz YKNLAACGHIGKSS-ROUUACIJSA-N 0 3 466.677 2.641 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCCO2)CC1 ZINC001287749112 1063073403 /nfs/dbraw/zinc/07/34/03/1063073403.db2.gz DNCWZPOACVUHCG-NRFANRHFSA-N 0 3 490.674 2.543 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001287749898 1063074590 /nfs/dbraw/zinc/07/45/90/1063074590.db2.gz JXRWMKFJCNGFAU-UHFFFAOYSA-N 0 3 461.010 2.659 20 0 JFADHN C[C@@H]1CCCN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001291103005 1063078836 /nfs/dbraw/zinc/07/88/36/1063078836.db2.gz WTIDFDHMDDPUMW-WOJBJXKFSA-N 0 3 480.723 2.611 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001287761441 1063086494 /nfs/dbraw/zinc/08/64/94/1063086494.db2.gz KODZBPRMTFKKFG-HXUWFJFHSA-N 0 3 472.638 2.856 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccnc2OCC(F)F)CC1 ZINC001287761862 1063087968 /nfs/dbraw/zinc/08/79/68/1063087968.db2.gz NJTQNURCMYUPFT-UHFFFAOYSA-N 0 3 460.533 2.544 20 0 JFADHN C[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001291120764 1063132061 /nfs/dbraw/zinc/13/20/61/1063132061.db2.gz JHIZCGJDGDVGGK-RBBKRZOGSA-N 0 3 453.635 2.833 20 0 JFADHN C[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001291120762 1063132238 /nfs/dbraw/zinc/13/22/38/1063132238.db2.gz JHIZCGJDGDVGGK-IFMALSPDSA-N 0 3 453.635 2.833 20 0 JFADHN CC(C)NC(=O)c1nnc(N(C)Cc2ccc([S@@](C)=O)cc2)n1CCN1CCC[C@H](C)C1 ZINC001291126929 1063156768 /nfs/dbraw/zinc/15/67/68/1063156768.db2.gz VSALZEXFEQYQTR-HYHKQLJDSA-N 0 3 460.648 2.522 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CCN1CCC[C@H](C)C1 ZINC001291127099 1063160361 /nfs/dbraw/zinc/16/03/61/1063160361.db2.gz YQFRHIMKEPQEDB-SFTDATJTSA-N 0 3 481.645 2.638 20 0 JFADHN CCN(CC)C(=O)CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@H]2C)CC1 ZINC001295306348 1063170300 /nfs/dbraw/zinc/17/03/00/1063170300.db2.gz UAZLCTQCXWJDHV-OAQYLSRUSA-N 0 3 487.693 2.863 20 0 JFADHN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCC[C@@H]1C ZINC001291136164 1063190830 /nfs/dbraw/zinc/19/08/30/1063190830.db2.gz RFHRBHJDRWRIOY-RBUKOAKNSA-N 0 3 488.658 2.599 20 0 JFADHN CCNS(=O)(=O)c1cccc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC001295324606 1063209243 /nfs/dbraw/zinc/20/92/43/1063209243.db2.gz WCQIZQKBNSLRDI-HXUWFJFHSA-N 0 3 453.568 2.881 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCO[C@@H](COc3ccccc3)C2)n1C[C@H](C)N1CCC(C)CC1 ZINC001291140961 1063212600 /nfs/dbraw/zinc/21/26/00/1063212600.db2.gz HANNVJOSHSELOE-JTHBVZDNSA-N 0 3 484.645 2.821 20 0 JFADHN CC(C)NC(=O)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1C[C@H](C)N1CCC(C)CC1 ZINC001291140982 1063213058 /nfs/dbraw/zinc/21/30/58/1063213058.db2.gz HKMYUAPPGBJRRJ-IBGZPJMESA-N 0 3 462.639 2.659 20 0 JFADHN C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(CCO)Cc1ccccc1)N1CCC(C)CC1 ZINC001291141154 1063213573 /nfs/dbraw/zinc/21/35/73/1063213573.db2.gz JJKTUUAXXJDJSU-NRFANRHFSA-N 0 3 454.619 2.633 20 0 JFADHN C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)N1CCC(C)CC1 ZINC001291142144 1063219036 /nfs/dbraw/zinc/21/90/36/1063219036.db2.gz YWDRLEASWLTBPT-MOPGFXCFSA-N 0 3 485.599 2.707 20 0 JFADHN CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccccc3F)n2CCN2CC=CCC2)CC1 ZINC001295327574 1063225203 /nfs/dbraw/zinc/22/52/03/1063225203.db2.gz XZYLFUJCRNJNJF-UHFFFAOYSA-N 0 3 483.636 2.727 20 0 JFADHN CCN(CC)C(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001295334964 1063246545 /nfs/dbraw/zinc/24/65/45/1063246545.db2.gz KJNQGKBXXVJUDN-QFIPXVFZSA-N 0 3 469.678 2.869 20 0 JFADHN CCN(CC)C(=O)CN1CCN(c2nnc(C(C)C)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001295334983 1063246585 /nfs/dbraw/zinc/24/65/85/1063246585.db2.gz KZZJGDCZLKETNN-JOCHJYFZSA-N 0 3 455.651 2.695 20 0 JFADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C2=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001295342266 1063269721 /nfs/dbraw/zinc/26/97/21/1063269721.db2.gz JCNKUQDZGLGNPH-MZNJEOGPSA-N 0 3 457.575 2.879 20 0 JFADHN CC1CCN(CCCn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001291182523 1063277959 /nfs/dbraw/zinc/27/79/59/1063277959.db2.gz PTLLYUWKLSJXQW-VQTJNVASSA-N 0 3 453.653 2.655 20 0 JFADHN CC1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCC2CCOCC2)CC1 ZINC001291182709 1063278393 /nfs/dbraw/zinc/27/83/93/1063278393.db2.gz VDCLWHJXBYBSEA-OAQYLSRUSA-N 0 3 467.680 2.555 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001295367046 1063331804 /nfs/dbraw/zinc/33/18/04/1063331804.db2.gz SDEVAJSYYOYZTP-UYAOXDASSA-N 0 3 486.646 2.512 20 0 JFADHN CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001295370280 1063335783 /nfs/dbraw/zinc/33/57/83/1063335783.db2.gz MHDJOANBQLYOPM-LJQANCHMSA-N 0 3 463.586 2.738 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001295378706 1063349147 /nfs/dbraw/zinc/34/91/47/1063349147.db2.gz JAKAUCVAZKFIEE-LMNJBCLMSA-N 0 3 479.622 2.628 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001295380435 1063353047 /nfs/dbraw/zinc/35/30/47/1063353047.db2.gz QDCBJDFKTFVRMA-DYESRHJHSA-N 0 3 477.631 2.534 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001295380441 1063353309 /nfs/dbraw/zinc/35/33/09/1063353309.db2.gz QDCBJDFKTFVRMA-UWJYYQICSA-N 0 3 477.631 2.534 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001295385577 1063361326 /nfs/dbraw/zinc/36/13/26/1063361326.db2.gz MZXHIVBWJKJYEB-TZIWHRDSSA-N 0 3 463.648 2.828 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001295386734 1063363572 /nfs/dbraw/zinc/36/35/72/1063363572.db2.gz WFAHZVAOMPLONT-NBGIEHNGSA-N 0 3 489.686 2.817 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(CSc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 ZINC001295389746 1063367786 /nfs/dbraw/zinc/36/77/86/1063367786.db2.gz GVQXTEDIVWEGIG-KRWDZBQOSA-N 0 3 467.661 2.544 20 0 JFADHN CCN(CC)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1)c1ccsc1 ZINC001295390775 1063371664 /nfs/dbraw/zinc/37/16/64/1063371664.db2.gz AKPQZMUKOTXYGQ-WMZOPIPTSA-N 0 3 484.692 2.648 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSCC1)c1ccsc1 ZINC001295391017 1063372185 /nfs/dbraw/zinc/37/21/85/1063372185.db2.gz DALBWNPLEOWUNW-NVXWUHKLSA-N 0 3 472.706 2.586 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001295391972 1063375749 /nfs/dbraw/zinc/37/57/49/1063375749.db2.gz ZUGRBOBOPSJPEW-PXNSSMCTSA-N 0 3 467.611 2.740 20 0 JFADHN CCN(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCNC(=O)CC1)c1ccco1 ZINC001295397748 1063385004 /nfs/dbraw/zinc/38/50/04/1063385004.db2.gz QPGWKPKVXAOPOU-HXUWFJFHSA-N 0 3 452.559 2.956 20 0 JFADHN CCN(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)c1ccco1 ZINC001295399519 1063386156 /nfs/dbraw/zinc/38/61/56/1063386156.db2.gz XKOPUDDLXXYFRY-CEXWTWQISA-N 0 3 471.558 2.883 20 0 JFADHN CCN(CC)[C@@H](Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1C(C)(C)C)c1ccco1 ZINC001295405295 1063392498 /nfs/dbraw/zinc/39/24/98/1063392498.db2.gz PWIQEZZCBQHFNG-KRWDZBQOSA-N 0 3 471.606 2.772 20 0 JFADHN CCN(CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccco1 ZINC001295408108 1063401274 /nfs/dbraw/zinc/40/12/74/1063401274.db2.gz YXZJUMGFVRVXQX-RBBKRZOGSA-N 0 3 484.576 2.635 20 0 JFADHN CC(C)N1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001291215770 1063429398 /nfs/dbraw/zinc/42/93/98/1063429398.db2.gz VNKJIZCNAQXBSU-OALUTQOASA-N 0 3 461.632 2.694 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCCO2)CC1 ZINC001295479275 1063487568 /nfs/dbraw/zinc/48/75/68/1063487568.db2.gz CLSKQWPQPWWCOD-WOJBJXKFSA-N 0 3 488.608 2.727 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)O)CC1 ZINC001295479738 1063488310 /nfs/dbraw/zinc/48/83/10/1063488310.db2.gz IKKOXSDCWFSGTM-SFHVURJKSA-N 0 3 493.052 2.833 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2C[C@@H]2C)CC1 ZINC001295480370 1063490388 /nfs/dbraw/zinc/49/03/88/1063490388.db2.gz LKPCJVYZJKNAPZ-IRXDYDNUSA-N 0 3 492.466 2.693 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCc2sc(C)nc2C)CC1 ZINC001295480970 1063491551 /nfs/dbraw/zinc/49/15/51/1063491551.db2.gz QVDDQDGEZJYKPU-UHFFFAOYSA-N 0 3 461.680 2.882 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CC[C@@H]2CCCCO2)CC1 ZINC001295481849 1063494794 /nfs/dbraw/zinc/49/47/94/1063494794.db2.gz BGUBUDZPNXXORB-QFIPXVFZSA-N 0 3 454.619 2.895 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCSC2)CC1 ZINC001295482195 1063496706 /nfs/dbraw/zinc/49/67/06/1063496706.db2.gz FWLJRAAUPUXWGC-KRWDZBQOSA-N 0 3 478.066 2.737 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCC[C@@H]2OC)CC1 ZINC001295482361 1063500312 /nfs/dbraw/zinc/50/03/12/1063500312.db2.gz LLTBXGJVPPANKE-IRLDBZIGSA-N 0 3 484.645 2.759 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2[C@H]2C[C@H]2C)CC1 ZINC001295482355 1063500456 /nfs/dbraw/zinc/50/04/56/1063500456.db2.gz LGJCDQJAQJKRPM-UTKZUKDTSA-N 0 3 456.591 2.534 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3F)n2CCCc2c[nH]nc2C)CC1 ZINC001295482459 1063501743 /nfs/dbraw/zinc/50/17/43/1063501743.db2.gz OWSSMWMVADRKTK-UHFFFAOYSA-N 0 3 482.608 2.739 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(O)cc2)CC1 ZINC001295482652 1063504123 /nfs/dbraw/zinc/50/41/23/1063504123.db2.gz WIJSHMFFUADMHN-UHFFFAOYSA-N 0 3 484.004 2.738 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO2)CC1 ZINC001295482679 1063504191 /nfs/dbraw/zinc/50/41/91/1063504191.db2.gz XKKAYNFDQPFKMI-HXUWFJFHSA-N 0 3 461.010 2.768 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(C)c(OC)c2)CC1 ZINC001295482658 1063504498 /nfs/dbraw/zinc/50/44/98/1063504498.db2.gz WPWMZFKBTVTITO-UHFFFAOYSA-N 0 3 491.640 2.890 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCOc2cccc(F)c2)CC1 ZINC001295482713 1063505166 /nfs/dbraw/zinc/50/51/66/1063505166.db2.gz YIWDTFMAAZFCEZ-UHFFFAOYSA-N 0 3 481.576 2.549 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(Cl)c2)CC1 ZINC001295482746 1063505557 /nfs/dbraw/zinc/50/55/57/1063505557.db2.gz ZCKAUZWKXLSZFZ-UHFFFAOYSA-N 0 3 470.021 2.976 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2Cc2csc(C)c2)CC1 ZINC001295483018 1063506387 /nfs/dbraw/zinc/50/63/87/1063506387.db2.gz ARGJICPSKBPBRC-HXUWFJFHSA-N 0 3 460.648 2.928 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCCc2cccc(F)c2)CC1 ZINC001295483171 1063506938 /nfs/dbraw/zinc/50/69/38/1063506938.db2.gz CLMSEVFGPJPDPZ-QFIPXVFZSA-N 0 3 486.636 2.934 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(F)cc2C)CC1 ZINC001295483093 1063507198 /nfs/dbraw/zinc/50/71/98/1063507198.db2.gz BTUKUXOQZJWFMB-JOCHJYFZSA-N 0 3 486.636 2.853 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2cccnc2)C(C)C)CC1 ZINC001295483560 1063507772 /nfs/dbraw/zinc/50/77/72/1063507772.db2.gz GWLVOKFIWKGPMQ-DHIUTWEWSA-N 0 3 483.661 2.607 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C)s2)CC1 ZINC001295483875 1063510102 /nfs/dbraw/zinc/51/01/02/1063510102.db2.gz JWOYQYNOERMARQ-FQEVSTJZSA-N 0 3 460.648 2.928 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001295484511 1063511911 /nfs/dbraw/zinc/51/19/11/1063511911.db2.gz OPQXASUFUFARQC-QNWVGRARSA-N 0 3 476.666 2.571 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCC(C)C)CC1 ZINC001295484621 1063511993 /nfs/dbraw/zinc/51/19/93/1063511993.db2.gz PNRYCHWSMIMEJC-UHFFFAOYSA-N 0 3 480.617 2.630 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(F)ccc2SC)CC1 ZINC001295484713 1063512669 /nfs/dbraw/zinc/51/26/69/1063512669.db2.gz QPCAAEWNYWRJDN-SFHVURJKSA-N 0 3 490.649 2.682 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCSc2ccc(C)cc2)CC1 ZINC001295485432 1063514298 /nfs/dbraw/zinc/51/42/98/1063514298.db2.gz WJPGZFHATDFBRX-UHFFFAOYSA-N 0 3 496.685 2.770 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2sc(C)nc2C)CC1 ZINC001295485461 1063514436 /nfs/dbraw/zinc/51/44/36/1063514436.db2.gz WXGYKMACEBCNNB-FQEVSTJZSA-N 0 3 489.690 2.826 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](OC)C(C)(C)C)CC1 ZINC001295490687 1063518116 /nfs/dbraw/zinc/51/81/16/1063518116.db2.gz FARDLMIFVJVCEC-HXUWFJFHSA-N 0 3 476.691 2.982 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(C)CCCS2)CC1 ZINC001295490899 1063519535 /nfs/dbraw/zinc/51/95/35/1063519535.db2.gz IMFJGQKRQBPUBV-XMMPIXPASA-N 0 3 471.675 2.540 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2=CCCOC2)CC1 ZINC001295490987 1063519925 /nfs/dbraw/zinc/51/99/25/1063519925.db2.gz LUAQJXZBCSPEJY-FYYLOGMGSA-N 0 3 488.677 2.534 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2sccc2C)CC1 ZINC001295490989 1063520020 /nfs/dbraw/zinc/52/00/20/1063520020.db2.gz LWWQVVVUQYZPTA-UHFFFAOYSA-N 0 3 467.643 2.673 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@@](C)(O)C(C)C)CC1 ZINC001295491048 1063521124 /nfs/dbraw/zinc/52/11/24/1063521124.db2.gz NXUDXMHDQBNCSJ-HHHXNRCGSA-N 0 3 495.672 2.679 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CCc2cccc(F)c2)CC1 ZINC001295491852 1063524397 /nfs/dbraw/zinc/52/43/97/1063524397.db2.gz XJUSMZRYRFFYMP-UHFFFAOYSA-N 0 3 479.604 2.636 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCSC2(C)C)CC1 ZINC001295492474 1063525802 /nfs/dbraw/zinc/52/58/02/1063525802.db2.gz BTQYZRSCOOZNRV-RTBURBONSA-N 0 3 464.680 2.652 20 0 JFADHN C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCN2CCN(C)C(C)(C)C2)CC2(CCOCC2)O1 ZINC001291258752 1063551591 /nfs/dbraw/zinc/55/15/91/1063551591.db2.gz HEBURDGTOCLBAF-FQEVSTJZSA-N 0 3 462.683 2.667 20 0 JFADHN CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001295559123 1063591338 /nfs/dbraw/zinc/59/13/38/1063591338.db2.gz CRYMCUNQWRTOCG-LJQANCHMSA-N 0 3 463.586 2.738 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001295572389 1063610124 /nfs/dbraw/zinc/61/01/24/1063610124.db2.gz JQNSJDGVVRFOFL-NCXUSEDFSA-N 0 3 455.669 2.550 20 0 JFADHN O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC001295594745 1063639467 /nfs/dbraw/zinc/63/94/67/1063639467.db2.gz LNKDFTZRDUOLJF-UHFFFAOYSA-N 0 3 457.383 2.700 20 0 JFADHN C[C@@H]1CN(CCCn2c(-c3ccccc3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC001291290408 1063663911 /nfs/dbraw/zinc/66/39/11/1063663911.db2.gz ZSNFSDAIXBLJQB-ODAXIHTASA-N 0 3 470.662 2.990 20 0 JFADHN C[C@@H]1N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CCCCC2)N(C)C)CCOC1(C)C ZINC001291318163 1063754504 /nfs/dbraw/zinc/75/45/04/1063754504.db2.gz DFEQXKIZTNHNNW-SXLOBPIMSA-N 0 3 467.680 2.694 20 0 JFADHN C[C@@H]1N(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C2CCCCC2)N(C)C)CCOC1(C)C ZINC001291318164 1063754538 /nfs/dbraw/zinc/75/45/38/1063754538.db2.gz DFEQXKIZTNHNNW-YSIASYRMSA-N 0 3 467.680 2.694 20 0 JFADHN CCN(C[C@@H]1COc2ccccc2O1)c1nnc(C(=O)NC(C)C)n1CCN1CCCCC1 ZINC001295766150 1063774272 /nfs/dbraw/zinc/77/42/72/1063774272.db2.gz IZOXWWURMUOOIO-LJQANCHMSA-N 0 3 456.591 2.569 20 0 JFADHN CCN(C[C@H]1CCN(c2nnc(CC3CC3)n2CCN2CCN(C)C(C)(C)C2)C1)CC(F)(F)F ZINC001295768996 1063778869 /nfs/dbraw/zinc/77/88/69/1063778869.db2.gz ZVZYRMLZZYSSKC-HXUWFJFHSA-N 0 3 485.643 2.967 20 0 JFADHN Cc1ccc(C(=O)NCCOCC[NH+](C)C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC001295812455 1063811735 /nfs/dbraw/zinc/81/17/35/1063811735.db2.gz VUMOGNQCSRCHKR-UHFFFAOYSA-N 0 3 457.955 2.896 20 0 JFADHN CCN(CCCn1c(N2CCN(CCC(C)(C)C)CC2)nnc1C(C)(C)C)S(C)(=O)=O ZINC001295814996 1063816798 /nfs/dbraw/zinc/81/67/98/1063816798.db2.gz DTDRJSFESDOWEW-UHFFFAOYSA-N 0 3 456.701 2.805 20 0 JFADHN CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001291343243 1063828319 /nfs/dbraw/zinc/82/83/19/1063828319.db2.gz JDVGAUZPGFAUMC-CEWLAPEOSA-N 0 3 458.582 2.719 20 0 JFADHN CCN(CCn1c(-c2cccc(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C)CCC(F)(F)F ZINC001295824816 1063832647 /nfs/dbraw/zinc/83/26/47/1063832647.db2.gz IRSICOLEHFKDNK-MRXNPFEDSA-N 0 3 468.524 2.895 20 0 JFADHN CCN(CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C(N)=O)C1)CCC(F)(F)F ZINC001295828835 1063839115 /nfs/dbraw/zinc/83/91/15/1063839115.db2.gz DFNRWCFJAQRDID-KRWDZBQOSA-N 0 3 468.524 2.930 20 0 JFADHN CCN(CCn1c(-c2cnn(C)c2)nnc1N1CCC(Nc2cccnn2)CC1)CCC(F)(F)F ZINC001295837685 1063855558 /nfs/dbraw/zinc/85/55/58/1063855558.db2.gz BNSGBMVHTRRUHX-UHFFFAOYSA-N 0 3 492.554 2.824 20 0 JFADHN CCN(CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1)CCC(F)(F)F ZINC001295839068 1063857864 /nfs/dbraw/zinc/85/78/64/1063857864.db2.gz PEMLKKCFQPAOIX-INIZCTEOSA-N 0 3 465.528 2.680 20 0 JFADHN CCN(CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)CCC(F)(F)F ZINC001295841548 1063861031 /nfs/dbraw/zinc/86/10/31/1063861031.db2.gz JFKXSYPYRIUHGK-UHFFFAOYSA-N 0 3 484.571 2.648 20 0 JFADHN CS[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2F)c3=O)C[C@@H]1N(C)C ZINC001295853528 1063880862 /nfs/dbraw/zinc/88/08/62/1063880862.db2.gz YUEJQBQTHSGVHX-OALUTQOASA-N 0 3 458.584 2.931 20 0 JFADHN CS[C@@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2F)c3=O)C[C@H]1N(C)C ZINC001295853533 1063880912 /nfs/dbraw/zinc/88/09/12/1063880912.db2.gz YUEJQBQTHSGVHX-RTBURBONSA-N 0 3 458.584 2.931 20 0 JFADHN CCN(CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001295865253 1063896557 /nfs/dbraw/zinc/89/65/57/1063896557.db2.gz HKWTULBHDYSSBY-NRFANRHFSA-N 0 3 463.648 2.828 20 0 JFADHN CC[C@](C)(O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001291373961 1063902718 /nfs/dbraw/zinc/90/27/18/1063902718.db2.gz ANLHXTVCYCZDDU-CZZAQMAHSA-N 0 3 486.636 2.548 20 0 JFADHN CC[C@](C)(O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001291373960 1063902778 /nfs/dbraw/zinc/90/27/78/1063902778.db2.gz ANLHXTVCYCZDDU-CNPGNWEMSA-N 0 3 486.636 2.548 20 0 JFADHN CC[C@](C)(O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001291373962 1063902873 /nfs/dbraw/zinc/90/28/73/1063902873.db2.gz ANLHXTVCYCZDDU-RTGAMMJTSA-N 0 3 486.636 2.548 20 0 JFADHN CCN(CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O)C(C)C ZINC001295868983 1063906346 /nfs/dbraw/zinc/90/63/46/1063906346.db2.gz FMWQRQCADGUTNZ-IPMKNSEASA-N 0 3 457.685 2.796 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc(-c2ccccc2Cl)n1CC1(N(C)C)CCOCC1 ZINC001295877128 1063917556 /nfs/dbraw/zinc/91/75/56/1063917556.db2.gz FYUAFKHWWBTYHP-UHFFFAOYSA-N 0 3 470.039 2.580 20 0 JFADHN CCn1cc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N2CCC(C)CC2)cn1 ZINC001295901152 1063954527 /nfs/dbraw/zinc/95/45/27/1063954527.db2.gz GLMVDUIWNFYNLX-LJQANCHMSA-N 0 3 465.606 2.899 20 0 JFADHN CCn1cccc(Cn2c([C@H](C)OCCOC)nnc2N2CCN(C3CCC(C)CC3)CC2)c1=O ZINC001295938305 1063989123 /nfs/dbraw/zinc/98/91/23/1063989123.db2.gz IAAMOWPEXACLMH-QKDPSFTKSA-N 0 3 486.661 2.933 20 0 JFADHN CC[C@H](C)[C@H](Cn1c(C2CCC2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001291418612 1063997890 /nfs/dbraw/zinc/99/78/90/1063997890.db2.gz ZXEZVJPVGYNZEO-ZZTDLJEGSA-N 0 3 460.667 2.986 20 0 JFADHN CC[C@@H](C)c1nnc(N(C)[C@@H](C)CS(=O)(=O)CC)n1CC1(N2CCCC2)CCOCC1 ZINC001291430047 1064012162 /nfs/dbraw/zinc/01/21/62/1064012162.db2.gz SHKUOLGKDPCUSZ-MOPGFXCFSA-N 0 3 455.669 2.696 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCC=CO2)C[C@H]1C ZINC001295975438 1064018754 /nfs/dbraw/zinc/01/87/54/1064018754.db2.gz DECLCTJGRNCCOW-DYXWJJEUSA-N 0 3 488.658 2.807 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCCOC)C[C@H]1C ZINC001295975398 1064018770 /nfs/dbraw/zinc/01/87/70/1064018770.db2.gz CULRYWZELKMLSI-MOPGFXCFSA-N 0 3 453.591 2.917 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3[nH]c(C)cc3c2)C[C@@H]1C ZINC001295976386 1064022024 /nfs/dbraw/zinc/02/20/24/1064022024.db2.gz CKBJWGZSMVVZAZ-BZSNNMDCSA-N 0 3 473.647 2.645 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3[nH]c(C)cc3c2)C[C@@H]1C ZINC001295976388 1064022117 /nfs/dbraw/zinc/02/21/17/1064022117.db2.gz CKBJWGZSMVVZAZ-OKZBNKHCSA-N 0 3 473.647 2.645 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(C)(C)O)c2)C[C@@H]1C ZINC001295977503 1064024003 /nfs/dbraw/zinc/02/40/03/1064024003.db2.gz LGUMVHGXRBPWIX-OALUTQOASA-N 0 3 454.619 2.709 20 0 JFADHN CC[C@H](C)c1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1C[C@H](C)N1CCOCC1 ZINC001291458470 1064024908 /nfs/dbraw/zinc/02/49/08/1064024908.db2.gz HXAFJFWUZCHVDL-VVSUKSJXSA-N 0 3 472.682 2.765 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)N(C)C)C[C@H]1C ZINC001295977869 1064024874 /nfs/dbraw/zinc/02/48/74/1064024874.db2.gz QHKGHFWRVGQICH-CABCVRRESA-N 0 3 466.428 2.823 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCNS(C)(=O)=O)C[C@@H]1C ZINC001295978031 1064025565 /nfs/dbraw/zinc/02/55/65/1064025565.db2.gz JMCMGLMSAQACCB-ZJOUEHCJSA-N 0 3 492.690 2.893 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2CCOCc2ccc(OC)cc2)C[C@@H]1C ZINC001295978803 1064027131 /nfs/dbraw/zinc/02/71/31/1064027131.db2.gz NOKONQYLABHLDF-RBUKOAKNSA-N 0 3 458.607 2.561 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)CCOC)C[C@@H]1C ZINC001295979758 1064028050 /nfs/dbraw/zinc/02/80/50/1064028050.db2.gz XDTRMMBNCNXKQS-LLJLJFOGSA-N 0 3 461.607 2.669 20 0 JFADHN CCN(CCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)S(C)(=O)=O ZINC001295980404 1064030568 /nfs/dbraw/zinc/03/05/68/1064030568.db2.gz YTDWOUFQPHQFOR-RTBURBONSA-N 0 3 478.663 2.544 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CC1(COC)CCC1 ZINC001291470382 1064031389 /nfs/dbraw/zinc/03/13/89/1064031389.db2.gz PGBPJOQPYUPHOM-VWPQPMDRSA-N 0 3 460.667 2.987 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC(=O)Nc1ccc(F)cc1 ZINC001291470771 1064032009 /nfs/dbraw/zinc/03/20/09/1064032009.db2.gz VDTDPMWOSWCFPN-SFYKDHMMSA-N 0 3 499.635 2.948 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001295982173 1064034238 /nfs/dbraw/zinc/03/42/38/1064034238.db2.gz WMHQQJPGWRUOBB-VQTJNVASSA-N 0 3 470.618 2.608 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)Sc2ccccc2)C[C@H]1C ZINC001295982457 1064035223 /nfs/dbraw/zinc/03/52/23/1064035223.db2.gz SYHUPKTZWKTPAA-XWSJACJDSA-N 0 3 480.704 2.988 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(NC(C)=O)cc2)C[C@H]1C ZINC001295983194 1064038450 /nfs/dbraw/zinc/03/84/50/1064038450.db2.gz YYBBHUFDDCQGOQ-MOPGFXCFSA-N 0 3 467.618 2.634 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(NC(C)=O)cc2)C[C@H]1C ZINC001295983197 1064038567 /nfs/dbraw/zinc/03/85/67/1064038567.db2.gz YYBBHUFDDCQGOQ-RTBURBONSA-N 0 3 467.618 2.634 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2Cc2nncn2-c2ccccc2)C[C@H]1C ZINC001295983540 1064039410 /nfs/dbraw/zinc/03/94/10/1064039410.db2.gz WYZDKVPOABQXJM-AABGKKOBSA-N 0 3 468.606 2.550 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3cccc(OC)c3)CC2)C[C@@H]1C ZINC001295983881 1064040371 /nfs/dbraw/zinc/04/03/71/1064040371.db2.gz XMZRDRGTOZXWFS-FHWLQOOXSA-N 0 3 490.674 2.548 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)N2CCOCC2)C[C@H]1C ZINC001295984093 1064040780 /nfs/dbraw/zinc/04/07/80/1064040780.db2.gz KXJUAFBWTIELQW-AABGKKOBSA-N 0 3 472.634 2.602 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1CCCN1CCN(CC)CC1 ZINC001291484628 1064041445 /nfs/dbraw/zinc/04/14/45/1064041445.db2.gz CEXHQALFWKNXIB-SFHVURJKSA-N 0 3 487.615 2.714 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCn2cc(Br)cn2)C[C@@H]1C ZINC001295993823 1064049800 /nfs/dbraw/zinc/04/98/00/1064049800.db2.gz UIKOCKDYZUCZQS-HOTGVXAUSA-N 0 3 459.396 2.918 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CC(C)(C)C)n2CCNS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC001295994441 1064050083 /nfs/dbraw/zinc/05/00/83/1064050083.db2.gz GOVPGYPKQJILGR-OALUTQOASA-N 0 3 462.664 2.764 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2Cc2ccc(OCCO)c(OC)c2)C[C@@H]1C ZINC001295994231 1064050291 /nfs/dbraw/zinc/05/02/91/1064050291.db2.gz VBZIJTBJWBFACV-OALUTQOASA-N 0 3 466.586 2.687 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC(Cn3cccn3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291501735 1064052063 /nfs/dbraw/zinc/05/20/63/1064052063.db2.gz VCLLCWHIEZSONY-RBBKRZOGSA-N 0 3 470.666 2.847 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCC(Cn3cccn3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291501734 1064052087 /nfs/dbraw/zinc/05/20/87/1064052087.db2.gz VCLLCWHIEZSONY-IRLDBZIGSA-N 0 3 470.666 2.847 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCOC)C[C@@H]1C ZINC001295997508 1064053658 /nfs/dbraw/zinc/05/36/58/1064053658.db2.gz RGECSJGLUIRZSO-UFYCRDLUSA-N 0 3 480.654 2.932 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C[C@H]1C ZINC001295997744 1064054134 /nfs/dbraw/zinc/05/41/34/1064054134.db2.gz RWGCZHBWZTZPIL-LPWQTFTOSA-N 0 3 475.588 2.729 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)COc2ccccc2OC)C[C@@H]1C ZINC001295997822 1064054358 /nfs/dbraw/zinc/05/43/58/1064054358.db2.gz SJBGHBZIFWDMKT-FYQPLNBISA-N 0 3 470.618 2.872 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C ZINC001295998657 1064055689 /nfs/dbraw/zinc/05/56/89/1064055689.db2.gz XRUFSYRSGKBETI-SLFFLAALSA-N 0 3 491.658 2.574 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)C[C@H]1C ZINC001295998654 1064055759 /nfs/dbraw/zinc/05/57/59/1064055759.db2.gz XRUFSYRSGKBETI-AABGKKOBSA-N 0 3 491.658 2.574 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001295999507 1064056498 /nfs/dbraw/zinc/05/64/98/1064056498.db2.gz BGLMNKSCNVETIZ-MSOLQXFVSA-N 0 3 451.550 2.961 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(F)cc(F)c(F)c2F)C[C@@H]1C ZINC001295999715 1064056609 /nfs/dbraw/zinc/05/66/09/1064056609.db2.gz XEVVWAFJUDHSFP-MQIPJXDCSA-N 0 3 454.472 2.753 20 0 JFADHN CCN(CCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)N(CC)C[C@H]1C)S(C)(=O)=O ZINC001296000357 1064057013 /nfs/dbraw/zinc/05/70/13/1064057013.db2.gz CJKQGEBRDYVRMH-RBUKOAKNSA-N 0 3 480.654 2.599 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CCCNC(=O)c2cccc(O)c2)C[C@H]1C ZINC001296000808 1064057127 /nfs/dbraw/zinc/05/71/27/1064057127.db2.gz FAHNZOCKDNNYPI-UXHICEINSA-N 0 3 477.613 2.709 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CC(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001296001470 1064057403 /nfs/dbraw/zinc/05/74/03/1064057403.db2.gz IAFUIZRYGXCVGQ-YADHBBJMSA-N 0 3 467.662 2.744 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cccc(C)c2)C[C@@H]1C ZINC001296004258 1064059827 /nfs/dbraw/zinc/05/98/27/1064059827.db2.gz YDBZHHZIZFHPHK-SFTDATJTSA-N 0 3 461.614 2.921 20 0 JFADHN CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1Cc1cccc(C(=O)NC)c1 ZINC001291509492 1064060269 /nfs/dbraw/zinc/06/02/69/1064060269.db2.gz FCMHBFNAGPPPSP-NZQKXSOJSA-N 0 3 467.662 2.804 20 0 JFADHN CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CC(=O)NC1CCCCC1 ZINC001291509644 1064061008 /nfs/dbraw/zinc/06/10/08/1064061008.db2.gz HPJLKJYYZNCLKH-UNMCSNQZSA-N 0 3 459.683 2.845 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccco2)N(C)C)C[C@H]1C ZINC001296008785 1064061811 /nfs/dbraw/zinc/06/18/11/1064061811.db2.gz BJQUSAMNUZENOB-HKBOAZHASA-N 0 3 454.623 2.955 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CC3CCCC3)n2Cc2cccc(S(=O)(=O)NC)c2)C[C@@H]1C ZINC001296008386 1064062641 /nfs/dbraw/zinc/06/26/41/1064062641.db2.gz HJYKTHIEDGKPIM-RBUKOAKNSA-N 0 3 474.675 2.886 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(C(N)=O)c2)C[C@H]1C ZINC001296008834 1064062921 /nfs/dbraw/zinc/06/29/21/1064062921.db2.gz BSYOJRUAPQOBTI-QZTJIDSGSA-N 0 3 495.653 2.530 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(C(N)=O)c2)C[C@H]1C ZINC001296008832 1064063079 /nfs/dbraw/zinc/06/30/79/1064063079.db2.gz BSYOJRUAPQOBTI-MSOLQXFVSA-N 0 3 495.653 2.530 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296008961 1064063446 /nfs/dbraw/zinc/06/34/46/1064063446.db2.gz COPDJVWIPMDYLX-MSOLQXFVSA-N 0 3 464.561 2.774 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001296008904 1064063463 /nfs/dbraw/zinc/06/34/63/1064063463.db2.gz BWXFXPIODSSPDG-LSDHHAIUSA-N 0 3 470.952 2.811 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCN(C(C)=O)C2)C[C@H]1C ZINC001296009314 1064064026 /nfs/dbraw/zinc/06/40/26/1064064026.db2.gz JRJJUDHCHHTXOL-UWVAXJGDSA-N 0 3 459.664 2.811 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H]1C ZINC001296009411 1064064388 /nfs/dbraw/zinc/06/43/88/1064064388.db2.gz GADOHKFVPISREY-UPUUWEMXSA-N 0 3 457.619 2.933 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C ZINC001296009627 1064065978 /nfs/dbraw/zinc/06/59/78/1064065978.db2.gz HTZORYGPYDWSKW-SFTDATJTSA-N 0 3 484.645 2.675 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccsc3)n2CCNS(=O)(=O)c2ccccc2)C[C@H]1C ZINC001296009732 1064066280 /nfs/dbraw/zinc/06/62/80/1064066280.db2.gz MNOKMCCRABWGHM-MOPGFXCFSA-N 0 3 488.683 2.828 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2nnn(C)n2)C[C@H]1C ZINC001296009663 1064066394 /nfs/dbraw/zinc/06/63/94/1064066394.db2.gz ICJXELNFSJVYDW-RTBURBONSA-N 0 3 467.622 2.780 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C ZINC001296009911 1064066964 /nfs/dbraw/zinc/06/69/64/1064066964.db2.gz JEKZYPCQEDWJEN-LEWJYISDSA-N 0 3 484.645 2.675 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCn2ccnn2)C[C@H]1C ZINC001296010275 1064068093 /nfs/dbraw/zinc/06/80/93/1064068093.db2.gz AZXKJZCIWAKMOT-WCIQWLHISA-N 0 3 487.653 2.650 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2cccnc2)C[C@H]1C ZINC001296011432 1064071194 /nfs/dbraw/zinc/07/11/94/1064071194.db2.gz OYDDXNGXFQBKCK-MSOLQXFVSA-N 0 3 453.616 2.826 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(F)cc3)n2Cc2cnn(CCOC)c2)C[C@@H]1C ZINC001296014583 1064076344 /nfs/dbraw/zinc/07/63/44/1064076344.db2.gz YOBMUJTUVUBBCB-RBUKOAKNSA-N 0 3 471.581 2.806 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NCc2ccccc2)C[C@@H]1C ZINC001296015216 1064076822 /nfs/dbraw/zinc/07/68/22/1064076822.db2.gz ZVBQFGKTCVSMJK-VXKWHMMOSA-N 0 3 478.645 2.765 20 0 JFADHN CCN(CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)N(CC)C[C@H]1C)S(C)(=O)=O ZINC001296015308 1064077641 /nfs/dbraw/zinc/07/76/41/1064077641.db2.gz RUMUVZAVVYUVCX-DOIPELPJSA-N 0 3 498.738 2.787 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](F)COC)C[C@H]1C ZINC001296016812 1064078045 /nfs/dbraw/zinc/07/80/45/1064078045.db2.gz VPTYATMEIUUTOH-LFDJNIOPSA-N 0 3 468.618 2.952 20 0 JFADHN CCN1CC[C@@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001296039744 1064099818 /nfs/dbraw/zinc/09/98/18/1064099818.db2.gz SUEVIDSRUWPKNZ-UYAOXDASSA-N 0 3 491.658 2.706 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1ccnc(SC)c1 ZINC001291578570 1064103680 /nfs/dbraw/zinc/10/36/80/1064103680.db2.gz FFWHRDAYPLFQEY-IEBWSBKVSA-N 0 3 457.648 2.700 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1csc([C@@H](C)OC)n1 ZINC001291578581 1064104151 /nfs/dbraw/zinc/10/41/51/1064104151.db2.gz FHJROYUTDQCGJS-SCTDSRPQSA-N 0 3 475.663 2.747 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1CCc1cn2ccccc2n1 ZINC001291581708 1064112058 /nfs/dbraw/zinc/11/20/58/1064112058.db2.gz FDQWXLXZJUUYRZ-FQEVSTJZSA-N 0 3 466.634 2.672 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCc1nc(C)c(C)s1 ZINC001291582170 1064113226 /nfs/dbraw/zinc/11/32/26/1064113226.db2.gz UJSORJMHNGSZCD-LPHOPBHVSA-N 0 3 459.664 2.850 20 0 JFADHN CCN1CCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001296054803 1064115779 /nfs/dbraw/zinc/11/57/79/1064115779.db2.gz CTVPLJWCRDUKBZ-NRFANRHFSA-N 0 3 467.618 2.723 20 0 JFADHN CCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC001296056312 1064117266 /nfs/dbraw/zinc/11/72/66/1064117266.db2.gz KJNYNQLPHLAOPK-FCHUYYIVSA-N 0 3 472.609 2.990 20 0 JFADHN CCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001296056314 1064117630 /nfs/dbraw/zinc/11/76/30/1064117630.db2.gz KJNYNQLPHLAOPK-VXKWHMMOSA-N 0 3 472.609 2.990 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001291583982 1064118082 /nfs/dbraw/zinc/11/80/82/1064118082.db2.gz XORVXRVMGPTQEC-WOJBJXKFSA-N 0 3 491.681 2.697 20 0 JFADHN CCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001296057400 1064119570 /nfs/dbraw/zinc/11/95/70/1064119570.db2.gz XNSUUPXBOIGHPP-FQEVSTJZSA-N 0 3 485.608 2.569 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001291598759 1064133880 /nfs/dbraw/zinc/13/38/80/1064133880.db2.gz CTCDAPQKAGIESS-ONTIZHBOSA-N 0 3 454.619 2.750 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001296076404 1064144403 /nfs/dbraw/zinc/14/44/03/1064144403.db2.gz WGBZEMSTZBLEQK-QGZVFWFLSA-N 0 3 491.040 2.782 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001296076403 1064144484 /nfs/dbraw/zinc/14/44/84/1064144484.db2.gz WGBZEMSTZBLEQK-KRWDZBQOSA-N 0 3 491.040 2.782 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001296080909 1064147653 /nfs/dbraw/zinc/14/76/53/1064147653.db2.gz OFIVXMUDWUKTTD-FPOVZHCZSA-N 0 3 467.618 2.689 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(c3ccc(F)cn3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001291610789 1064148381 /nfs/dbraw/zinc/14/83/81/1064148381.db2.gz PRSWLYBBFOGAQQ-VQTJNVASSA-N 0 3 458.630 2.678 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001296081250 1064148761 /nfs/dbraw/zinc/14/87/61/1064148761.db2.gz RWPUHZVSVCFWTA-JOCHJYFZSA-N 0 3 467.618 2.690 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001291637700 1064185146 /nfs/dbraw/zinc/18/51/46/1064185146.db2.gz BRBBHICQGQNWAE-QUCCMNQESA-N 0 3 488.599 2.603 20 0 JFADHN CCN1CCCN(c2nnc(-c3cccnc3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1=O ZINC001296108947 1064187660 /nfs/dbraw/zinc/18/76/60/1064187660.db2.gz VKHWXUDHJFSLOW-JOCHJYFZSA-N 0 3 463.586 2.710 20 0 JFADHN CC(=O)N[C@H](CC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)c1ccc(F)cc1F ZINC001291640646 1064190158 /nfs/dbraw/zinc/19/01/58/1064190158.db2.gz HPFQZKJUJRABDT-JOCHJYFZSA-N 0 3 458.509 2.868 20 0 JFADHN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001296114530 1064195453 /nfs/dbraw/zinc/19/54/53/1064195453.db2.gz YQSFJCHPHKPDIE-LADGPHEKSA-N 0 3 453.558 2.624 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@H](c1ccco1)N(CC)CC ZINC001291643905 1064196519 /nfs/dbraw/zinc/19/65/19/1064196519.db2.gz MABMNHDHBGAFPL-GBESFXJTSA-N 0 3 466.652 2.938 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1C[C@H](c1ccccc1)N(C)C ZINC001291652430 1064205448 /nfs/dbraw/zinc/20/54/48/1064205448.db2.gz SFWMIZYFGQEOOG-DFQSSKMNSA-N 0 3 453.591 2.567 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001291654313 1064206359 /nfs/dbraw/zinc/20/63/59/1064206359.db2.gz GTEMDJVSSHFTMN-NQIIRXRSSA-N 0 3 454.619 2.580 20 0 JFADHN CC[C@H](C)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001291654314 1064206615 /nfs/dbraw/zinc/20/66/15/1064206615.db2.gz GTEMDJVSSHFTMN-RXVVDRJESA-N 0 3 454.619 2.580 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296120227 1064208593 /nfs/dbraw/zinc/20/85/93/1064208593.db2.gz GIHCMCAUEWDJKE-SVFBPWRDSA-N 0 3 460.598 2.808 20 0 JFADHN CC[C@H](C)c1nnc(N2CCO[C@@H](c3noc(C(C)C)n3)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001291669988 1064212422 /nfs/dbraw/zinc/21/24/22/1064212422.db2.gz NDIKMFUQZPHRBO-SLFFLAALSA-N 0 3 474.654 2.902 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)C2CC2)CC1 ZINC001296121813 1064213753 /nfs/dbraw/zinc/21/37/53/1064213753.db2.gz QZFONFYFXMJFDU-HNNXBMFYSA-N 0 3 450.429 2.671 20 0 JFADHN CC[C@H](C)c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCCN1CCN(CC)CC1 ZINC001291672347 1064214120 /nfs/dbraw/zinc/21/41/20/1064214120.db2.gz QCEZFUGHMUQADB-SFTDATJTSA-N 0 3 493.697 2.549 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3Br)nnc2N2CCOCC2)CC1 ZINC001296123816 1064216315 /nfs/dbraw/zinc/21/63/15/1064216315.db2.gz CIHMRKVLGVCDHI-QGZVFWFLSA-N 0 3 463.424 2.570 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC001296125153 1064217992 /nfs/dbraw/zinc/21/79/92/1064217992.db2.gz LCQJTNDUBREEPV-FQEVSTJZSA-N 0 3 487.649 2.787 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@H](OCCOC)C2)CC1 ZINC001296125562 1064219295 /nfs/dbraw/zinc/21/92/95/1064219295.db2.gz MSTKVHZNGKERFY-UGKGYDQZSA-N 0 3 477.053 2.866 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001296125572 1064219685 /nfs/dbraw/zinc/21/96/85/1064219685.db2.gz MUSHGNSEPDCKJD-PKOBYXMFSA-N 0 3 462.042 2.881 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001296126456 1064220462 /nfs/dbraw/zinc/22/04/62/1064220462.db2.gz QHRWTYSHVMHQPH-RBUKOAKNSA-N 0 3 467.618 2.536 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001296128472 1064222872 /nfs/dbraw/zinc/22/28/72/1064222872.db2.gz ZGULERYFNBSDIJ-OAQYLSRUSA-N 0 3 497.688 2.674 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296129597 1064222908 /nfs/dbraw/zinc/22/29/08/1064222908.db2.gz AWQIGCTWUGXVNN-MSOLQXFVSA-N 0 3 465.046 2.569 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC001296130034 1064223691 /nfs/dbraw/zinc/22/36/91/1064223691.db2.gz AWWIRFKZMDDADT-OAQYLSRUSA-N 0 3 499.679 2.994 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(Cc3cnc(C)s3)CC2)CC1 ZINC001296130959 1064224564 /nfs/dbraw/zinc/22/45/64/1064224564.db2.gz GVRLFKXUILOUEK-FQEVSTJZSA-N 0 3 474.723 2.590 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001296131353 1064225382 /nfs/dbraw/zinc/22/53/82/1064225382.db2.gz JKDXLXBANAYMBN-ZWKOTPCHSA-N 0 3 467.456 2.687 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CC3CC3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC001296131538 1064225928 /nfs/dbraw/zinc/22/59/28/1064225928.db2.gz LMVIIOFPIJDLKQ-SFHVURJKSA-N 0 3 474.053 2.985 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C3=NCC(C)(C)S3)CC2)CC1 ZINC001296131765 1064227041 /nfs/dbraw/zinc/22/70/41/1064227041.db2.gz MXRLCEHNIIYVJJ-FQEVSTJZSA-N 0 3 490.766 2.896 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001296131911 1064227536 /nfs/dbraw/zinc/22/75/36/1064227536.db2.gz NAZGQJGAFHXTEQ-AABGKKOBSA-N 0 3 488.599 2.746 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@@H](COC)C2)CC1 ZINC001296132006 1064228062 /nfs/dbraw/zinc/22/80/62/1064228062.db2.gz PVHHWNNGXVDBFT-TZIWHRDSSA-N 0 3 475.707 2.913 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296132032 1064228439 /nfs/dbraw/zinc/22/84/39/1064228439.db2.gz QCNAZZJVARMFKQ-YLJYHZDGSA-N 0 3 484.542 2.802 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1 ZINC001296132219 1064228737 /nfs/dbraw/zinc/22/87/37/1064228737.db2.gz PSAWOOKZAUQXGK-MBSDFSHPSA-N 0 3 495.594 2.896 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296132185 1064228810 /nfs/dbraw/zinc/22/88/10/1064228810.db2.gz RRENDOGSKXCBAL-INIZCTEOSA-N 0 3 492.097 2.683 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296132246 1064229431 /nfs/dbraw/zinc/22/94/31/1064229431.db2.gz AAQWDLWRWQZXBR-RLWLMLJZSA-N 0 3 486.661 2.897 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(N3CCN(C(=O)C4CCCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001296132593 1064230746 /nfs/dbraw/zinc/23/07/46/1064230746.db2.gz BVDZRVQYTWUYHV-NRFANRHFSA-N 0 3 473.710 2.831 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296132717 1064231556 /nfs/dbraw/zinc/23/15/56/1064231556.db2.gz VJQQNNYHRYXTOU-NRFANRHFSA-N 0 3 463.630 2.935 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Nc3cnn(C)c3)nnc2-c2cc(Br)c[nH]2)CC1 ZINC001296132802 1064231620 /nfs/dbraw/zinc/23/16/20/1064231620.db2.gz CYZYWXKEYBFIJX-AWEZNQCLSA-N 0 3 462.400 2.539 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296133579 1064233971 /nfs/dbraw/zinc/23/39/71/1064233971.db2.gz JBPJPTNZABPUDU-MOPGFXCFSA-N 0 3 463.026 2.762 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001296133591 1064234059 /nfs/dbraw/zinc/23/40/59/1064234059.db2.gz JKANICGOYDVWGX-JOCHJYFZSA-N 0 3 499.704 2.851 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296133600 1064234406 /nfs/dbraw/zinc/23/44/06/1064234406.db2.gz JNXNFROKTUWPKE-YADHBBJMSA-N 0 3 456.635 2.725 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CC3CCCC3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001296134384 1064235689 /nfs/dbraw/zinc/23/56/89/1064235689.db2.gz OJZRVCXDSRZDSC-UYAOXDASSA-N 0 3 499.626 2.542 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296134939 1064237601 /nfs/dbraw/zinc/23/76/01/1064237601.db2.gz TUHQUROUDRTMRG-RCZVLFRGSA-N 0 3 472.682 2.561 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296136204 1064240869 /nfs/dbraw/zinc/24/08/69/1064240869.db2.gz GRJHXDGMTSMJET-NJDAHSKKSA-N 0 3 491.681 2.601 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296136205 1064241376 /nfs/dbraw/zinc/24/13/76/1064241376.db2.gz GRJHXDGMTSMJET-PWRODBHTSA-N 0 3 491.681 2.601 20 0 JFADHN CC[C@H](C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001291760915 1064242151 /nfs/dbraw/zinc/24/21/51/1064242151.db2.gz OQTOEJZBPIMLTH-MBSDFSHPSA-N 0 3 461.632 2.696 20 0 JFADHN CC[C@@H](C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001291760916 1064242208 /nfs/dbraw/zinc/24/22/08/1064242208.db2.gz OQTOEJZBPIMLTH-WZONZLPQSA-N 0 3 461.632 2.696 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC001296137831 1064244369 /nfs/dbraw/zinc/24/43/69/1064244369.db2.gz QYCVLUXVLTZOMO-LRXVAGHRSA-N 0 3 488.599 2.685 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@@H]2CC=CCC2)CC1 ZINC001296138414 1064245180 /nfs/dbraw/zinc/24/51/80/1064245180.db2.gz WNQXCTNYIMKMSG-BJESRGMDSA-N 0 3 460.667 2.821 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2cccc(C)c2)CC1 ZINC001296138865 1064245658 /nfs/dbraw/zinc/24/56/58/1064245658.db2.gz YEIZTSGEVQHCKE-XWGVYQGASA-N 0 3 470.662 2.973 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001296139035 1064245996 /nfs/dbraw/zinc/24/59/96/1064245996.db2.gz ZTTSGQTVQJXNTQ-MBDNFAEBSA-N 0 3 480.723 2.606 20 0 JFADHN CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN2CCOCC2)C[C@H]1C ZINC001296141945 1064248062 /nfs/dbraw/zinc/24/80/62/1064248062.db2.gz HCOPGBCDVPAKEV-GOSISDBHSA-N 0 3 464.561 2.799 20 0 JFADHN CC[C@@H](C)N(C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001291766690 1064248670 /nfs/dbraw/zinc/24/86/70/1064248670.db2.gz FKKFSJHQPUTEKV-IEBWSBKVSA-N 0 3 477.631 2.808 20 0 JFADHN CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2n[nH]c(C)n2)C[C@H]1C ZINC001296144998 1064255057 /nfs/dbraw/zinc/25/50/57/1064255057.db2.gz CABPVSSDPSHJRG-CQSZACIVSA-N 0 3 459.396 2.907 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CC2(F)F)CC1 ZINC001291772829 1064256873 /nfs/dbraw/zinc/25/68/73/1064256873.db2.gz CQFUEQZBNGJLLI-CGTJXYLNSA-N 0 3 459.607 2.782 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC001291773000 1064257469 /nfs/dbraw/zinc/25/74/69/1064257469.db2.gz DFPXTBPPPRBUCV-UNMCSNQZSA-N 0 3 480.723 2.613 20 0 JFADHN CC[C@@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001291773414 1064258349 /nfs/dbraw/zinc/25/83/49/1064258349.db2.gz HIFDURPPYQZQHI-GGAORHGYSA-N 0 3 488.702 2.623 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001291773574 1064258814 /nfs/dbraw/zinc/25/88/14/1064258814.db2.gz HZDGYHXERNWEFC-NTLWEQJWSA-N 0 3 479.647 2.779 20 0 JFADHN CC[C@@H](C)N(C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001291775802 1064264873 /nfs/dbraw/zinc/26/48/73/1064264873.db2.gz ZQLPQOSHARDIQV-GCJKJVERSA-N 0 3 491.658 2.924 20 0 JFADHN CC[C@H](C)N(C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001291778324 1064266281 /nfs/dbraw/zinc/26/62/81/1064266281.db2.gz HZQSFSPYGUZMBP-PXNSSMCTSA-N 0 3 451.612 2.752 20 0 JFADHN CC[C@@H](C)[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001291784080 1064278367 /nfs/dbraw/zinc/27/83/67/1064278367.db2.gz QLLDDPPNJIFABM-HXUWFJFHSA-N 0 3 494.644 2.538 20 0 JFADHN CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001291784080 1064278375 /nfs/dbraw/zinc/27/83/75/1064278375.db2.gz QLLDDPPNJIFABM-HXUWFJFHSA-N 0 3 494.644 2.538 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3Cc3cccc(C(=O)N(C)C)c3)C2)CC1 ZINC001296173803 1064298186 /nfs/dbraw/zinc/29/81/86/1064298186.db2.gz KKDSSBQWUMCXSV-QFIPXVFZSA-N 0 3 467.662 2.542 20 0 JFADHN CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)CN2CCOCC2)C[C@H]1C ZINC001296173923 1064299443 /nfs/dbraw/zinc/29/94/43/1064299443.db2.gz MUZKQWVHNPWQQP-NFBKMPQASA-N 0 3 470.662 2.973 20 0 JFADHN CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCn2ccnc2C)C[C@H]1C ZINC001296174118 1064300278 /nfs/dbraw/zinc/30/02/78/1064300278.db2.gz NUNUCBDKNSOSCN-RLLQIKCJSA-N 0 3 472.638 2.784 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3Cc3nnc(C(C)(C)C)s3)C2)CC1 ZINC001296174779 1064303073 /nfs/dbraw/zinc/30/30/73/1064303073.db2.gz UDFYUVMTSGLPJP-KRWDZBQOSA-N 0 3 460.696 2.989 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@H](Cc3ccc(F)cc3)C(N)=O)C2)CC1 ZINC001296180610 1064312504 /nfs/dbraw/zinc/31/25/04/1064312504.db2.gz OOZKSBQGHSORGB-JTHBVZDNSA-N 0 3 499.679 2.566 20 0 JFADHN CC[C@H](C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001291802849 1064313480 /nfs/dbraw/zinc/31/34/80/1064313480.db2.gz GNHANKJLCKWLLQ-AZUAARDMSA-N 0 3 489.068 2.515 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccccc4Cl)n3C[C@](C)(O)CCOC)C2)CC1 ZINC001296181158 1064314289 /nfs/dbraw/zinc/31/42/89/1064314289.db2.gz SRIMJVKKTPDHBO-YADARESESA-N 0 3 477.053 2.602 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3C[C@@](C)(O)CC)C2)CC1 ZINC001296181825 1064318415 /nfs/dbraw/zinc/31/84/15/1064318415.db2.gz DYVHWJBDMMMHPY-KOSHJBKYSA-N 0 3 462.589 2.524 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3C[C@](C)(O)CC)C2)CC1 ZINC001296181826 1064318492 /nfs/dbraw/zinc/31/84/92/1064318492.db2.gz DYVHWJBDMMMHPY-MHECFPHRSA-N 0 3 462.589 2.524 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(C(C)(C)O)cc3)C2)CC1 ZINC001296181862 1064319259 /nfs/dbraw/zinc/31/92/59/1064319259.db2.gz FOVKSKXSJAAARN-HSZRJFAPSA-N 0 3 454.663 2.969 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(C[S@@](C)=O)cc3)C2)CC1 ZINC001296181858 1064319284 /nfs/dbraw/zinc/31/92/84/1064319284.db2.gz FOEPBCXDPVWGJO-PVAZPRTOSA-N 0 3 472.703 2.620 20 0 JFADHN CC[C@H](C)NC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001291804568 1064322253 /nfs/dbraw/zinc/32/22/53/1064322253.db2.gz RGJGWSJRYIMFET-SFHVURJKSA-N 0 3 458.607 2.700 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC001296186028 1064333590 /nfs/dbraw/zinc/33/35/90/1064333590.db2.gz SDBBLVJCQQNPKG-JOCHJYFZSA-N 0 3 473.710 2.904 20 0 JFADHN CC[C@H](C)NC(=O)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(CC(C)C)CC1 ZINC001291810659 1064336736 /nfs/dbraw/zinc/33/67/36/1064336736.db2.gz YMUOMHOHRMFWHY-SFHVURJKSA-N 0 3 480.617 2.677 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCO[C@H](c3noc(C(C)C)n3)C2)CC1 ZINC001296190053 1064336893 /nfs/dbraw/zinc/33/68/93/1064336893.db2.gz BHZFOPVYDKCCGU-RTWAWAEBSA-N 0 3 488.681 2.835 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001296190362 1064337682 /nfs/dbraw/zinc/33/76/82/1064337682.db2.gz CMLJVJLUJTYQJV-OAQYLSRUSA-N 0 3 487.718 2.509 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cc(C)ccc2F)CC1 ZINC001296190699 1064340303 /nfs/dbraw/zinc/34/03/03/1064340303.db2.gz DYDFIVHPKCTTLP-OAQYLSRUSA-N 0 3 485.652 2.758 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C)c2)CC1 ZINC001296192042 1064343213 /nfs/dbraw/zinc/34/32/13/1064343213.db2.gz LOUVPVAXCLJMQL-JOCHJYFZSA-N 0 3 467.662 2.619 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(COc3ccc(F)cc3)nnc2Nc2cnn(C)c2)CC1 ZINC001296192423 1064346168 /nfs/dbraw/zinc/34/61/68/1064346168.db2.gz FBSYBTAILVNFAP-SFHVURJKSA-N 0 3 456.570 2.747 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001296192766 1064346644 /nfs/dbraw/zinc/34/66/44/1064346644.db2.gz NQPJNKRVJXPNBR-IRLDBZIGSA-N 0 3 456.635 2.701 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001296192762 1064346814 /nfs/dbraw/zinc/34/68/14/1064346814.db2.gz NQPJNKRVJXPNBR-IFMALSPDSA-N 0 3 456.635 2.701 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296193411 1064351178 /nfs/dbraw/zinc/35/11/78/1064351178.db2.gz PDROLAUYWKMQQB-IEBWSBKVSA-N 0 3 486.608 2.972 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCOC(C)(C)C2)CC1 ZINC001296193811 1064353334 /nfs/dbraw/zinc/35/33/34/1064353334.db2.gz JULVNYORQICCCW-HXUWFJFHSA-N 0 3 474.625 2.885 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296194341 1064355551 /nfs/dbraw/zinc/35/55/51/1064355551.db2.gz RIFHOEZOSIXMOO-SFTDATJTSA-N 0 3 489.709 2.950 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001296194625 1064356765 /nfs/dbraw/zinc/35/67/65/1064356765.db2.gz MWROTUMZGPJUNH-SFTDATJTSA-N 0 3 474.625 2.885 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001296194623 1064357028 /nfs/dbraw/zinc/35/70/28/1064357028.db2.gz MWROTUMZGPJUNH-RTWAWAEBSA-N 0 3 474.625 2.885 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C)(COC)CC2)CC1 ZINC001296195272 1064359874 /nfs/dbraw/zinc/35/98/74/1064359874.db2.gz NSJHCVARINXYES-NRFANRHFSA-N 0 3 486.709 2.666 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(N3CCCN(c4nc(C)ns4)CC3)nnc2C(C)(C)C)CC1 ZINC001296195282 1064360303 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CCc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1CCCN1CCN(CC)CC1 ZINC001292934160 1065623948 /nfs/dbraw/zinc/62/39/48/1065623948.db2.gz LFXNSINSMLCXHK-DEOSSOPVSA-N 0 3 458.626 2.957 20 0 JFADHN CCN1CCN(C[C@H](C)CNC(=O)CCC[S@](=O)c2ccc(Br)cc2)CC1 ZINC001292959004 1065637146 /nfs/dbraw/zinc/63/71/46/1065637146.db2.gz OYYRNIRAGXJFRY-CRYYWNKWSA-N 0 3 458.466 2.727 20 0 JFADHN CCc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001292961021 1065640501 /nfs/dbraw/zinc/64/05/01/1065640501.db2.gz QGBFKJVYNNXJJG-GOSISDBHSA-N 0 3 450.628 2.645 20 0 JFADHN CCc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001293035554 1065704150 /nfs/dbraw/zinc/70/41/50/1065704150.db2.gz NSAGEKOXFWGMCN-VQTJNVASSA-N 0 3 491.681 2.619 20 0 JFADHN CN(CCN1CCN(C(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1)Cc1ccccc1 ZINC001293065599 1065717260 /nfs/dbraw/zinc/71/72/60/1065717260.db2.gz CLPJPSXOWKKOQE-QHCPKHFHSA-N 0 3 455.002 2.969 20 0 JFADHN CN(CCN1CCN(C(=O)c2cnn3cccc(Br)c23)CC1)Cc1ccccc1 ZINC001293072846 1065725793 /nfs/dbraw/zinc/72/57/93/1065725793.db2.gz NVKSLHINEAZEMY-UHFFFAOYSA-N 0 3 456.388 2.987 20 0 JFADHN CCc1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1cc(C)ccc1OC(F)F ZINC001293086029 1065736053 /nfs/dbraw/zinc/73/60/53/1065736053.db2.gz KHMBYMNYTFTSGP-UHFFFAOYSA-N 0 3 464.561 2.789 20 0 JFADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1cccc(OCC(C)C)c1 ZINC001293086484 1065736380 /nfs/dbraw/zinc/73/63/80/1065736380.db2.gz OHZBBWONFOLMKG-UHFFFAOYSA-N 0 3 454.619 2.668 20 0 JFADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1ccc(C(F)(F)F)cc1C ZINC001293087811 1065737394 /nfs/dbraw/zinc/73/73/94/1065737394.db2.gz ZUKQIVNKVPQNFQ-UHFFFAOYSA-N 0 3 464.536 2.960 20 0 JFADHN CCc1nnc(N2CCN(c3cccc(F)c3F)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001293097222 1065747494 /nfs/dbraw/zinc/74/74/94/1065747494.db2.gz BKVTUWPUOVEGBK-IBGZPJMESA-N 0 3 461.605 2.719 20 0 JFADHN CCc1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@H](c1ccsc1)N(CC)CC ZINC001293104797 1065752361 /nfs/dbraw/zinc/75/23/61/1065752361.db2.gz SSFIMQHPXPKNDR-LJQANCHMSA-N 0 3 456.620 2.572 20 0 JFADHN Cc1cc(N2C[C@@H](C(=O)N(CCN(C)C)C[C@H]3CCCO3)CC2=O)ccc1Br ZINC001293106450 1065753617 /nfs/dbraw/zinc/75/36/17/1065753617.db2.gz CJRYEOSGUBRTSW-FUHWJXTLSA-N 0 3 452.393 2.680 20 0 JFADHN Cc1cc(N2C[C@@H](C(=O)N(CCN(C)C)C[C@@H]3CCCO3)CC2=O)ccc1Br ZINC001293106452 1065753725 /nfs/dbraw/zinc/75/37/25/1065753725.db2.gz CJRYEOSGUBRTSW-WMZOPIPTSA-N 0 3 452.393 2.680 20 0 JFADHN CCc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001293116488 1065763501 /nfs/dbraw/zinc/76/35/01/1065763501.db2.gz MKQFQMUMYLVMQT-MSOLQXFVSA-N 0 3 450.628 2.785 20 0 JFADHN CCc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1CCCN1CCN(CC)CC1 ZINC001293129349 1065779921 /nfs/dbraw/zinc/77/99/21/1065779921.db2.gz WHPNJMSVQGEJDK-UHFFFAOYSA-N 0 3 488.750 2.944 20 0 JFADHN CCc1noc(C)c1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001293185918 1065810754 /nfs/dbraw/zinc/81/07/54/1065810754.db2.gz CZWIXGXOYKIPJI-UHFFFAOYSA-N 0 3 457.623 2.979 20 0 JFADHN CCc1noc(C)c1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001293199387 1065827743 /nfs/dbraw/zinc/82/77/43/1065827743.db2.gz KFFHZYKWBISZDH-UHFFFAOYSA-N 0 3 497.619 2.906 20 0 JFADHN CCc1nsc(N2CCN(c3nnc(CC)n3C[C@H](c3cccc(OC)c3)N(C)C)CC2)n1 ZINC001293209451 1065844983 /nfs/dbraw/zinc/84/49/83/1065844983.db2.gz ZCXMLEFUCDBLNW-LJQANCHMSA-N 0 3 470.647 2.893 20 0 JFADHN CC[C@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001293254540 1065918422 /nfs/dbraw/zinc/91/84/22/1065918422.db2.gz ZCGDQCUDSNIEND-MOPGFXCFSA-N 0 3 454.623 2.576 20 0 JFADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(I)nn1C ZINC001293285921 1065933932 /nfs/dbraw/zinc/93/39/32/1065933932.db2.gz WNLUGNNIBITNOO-OAHLLOKOSA-N 0 3 453.328 2.546 20 0 JFADHN CC[C@H]1C[C@H](C)CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCN(C)C(C)(C)C1 ZINC001293301258 1065941713 /nfs/dbraw/zinc/94/17/13/1065941713.db2.gz JNYVZFUHCZBNTR-FPOVZHCZSA-N 0 3 488.702 2.999 20 0 JFADHN CC[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001293375181 1065981265 /nfs/dbraw/zinc/98/12/65/1065981265.db2.gz BKUMPZVKLNRXEU-HLIPFELVSA-N 0 3 466.627 2.957 20 0 JFADHN CC[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCN(CC)CC2)C1 ZINC001293388045 1065988953 /nfs/dbraw/zinc/98/89/53/1065988953.db2.gz XXVJAXXICWTYNL-RCZVLFRGSA-N 0 3 462.683 2.973 20 0 JFADHN CC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCc3ccccc3C2)C1 ZINC001293455606 1066012424 /nfs/dbraw/zinc/01/24/24/1066012424.db2.gz PBKKZVZRTWLUFH-IPMKNSEASA-N 0 3 460.648 2.571 20 0 JFADHN CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCN2CCc3ccccc3C2)C[C@@H](C)O1 ZINC001293511364 1066037392 /nfs/dbraw/zinc/03/73/92/1066037392.db2.gz VUNBYIHAQXBXNV-KNQAVFIVSA-N 0 3 454.619 2.868 20 0 JFADHN CC[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCN(CC)CC2)CCS1 ZINC001293530411 1066049762 /nfs/dbraw/zinc/04/97/62/1066049762.db2.gz FGKGXTXXWZBGNB-XUZZJYLKSA-N 0 3 480.723 2.678 20 0 JFADHN CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN2CCOC(C)(C)C2)CCN1CCOC ZINC001293549788 1066066326 /nfs/dbraw/zinc/06/63/26/1066066326.db2.gz QVHXZPCPZWHEGL-HXUWFJFHSA-N 0 3 460.623 2.504 20 0 JFADHN O=C(CSc1ccc2c(c1)OCCO2)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC001293558372 1066071852 /nfs/dbraw/zinc/07/18/52/1066071852.db2.gz KLQUZHJSYYZWAE-UHFFFAOYSA-N 0 3 455.580 2.692 20 0 JFADHN CCc1csc(-n2cc(C(=O)NCc3ccc(C(=O)NCCN4CCCC4)cc3)cn2)n1 ZINC001293558874 1066072847 /nfs/dbraw/zinc/07/28/47/1066072847.db2.gz VHTLAZDTSBKFDF-UHFFFAOYSA-N 0 3 452.584 2.647 20 0 JFADHN CC[C@H]1CN(c2nnc(-c3ccccc3C)n2CCN2CCOCC2(C)C)CCN1CCOC ZINC001293566941 1066080279 /nfs/dbraw/zinc/08/02/79/1066080279.db2.gz XKGOYKNBNDHPIB-QFIPXVFZSA-N 0 3 470.662 2.911 20 0 JFADHN CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@H](C)C2)C[C@@H](C)O1 ZINC001293600091 1066115757 /nfs/dbraw/zinc/11/57/57/1066115757.db2.gz PIVYJQQPGBLVFR-FDKIHUSFSA-N 0 3 467.680 2.552 20 0 JFADHN CC[C@@H]1CN(c2nnc(CC(C)C)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C[C@H]1N1CCOCC1 ZINC001293606050 1066121843 /nfs/dbraw/zinc/12/18/43/1066121843.db2.gz FHJOQJUBXHFEFO-KAOXLYBCSA-N 0 3 462.683 2.523 20 0 JFADHN CC/C=C\Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001293712438 1066180211 /nfs/dbraw/zinc/18/02/11/1066180211.db2.gz RBPLQUWBAWRZNE-HUCIYCNJSA-N 0 3 452.603 2.587 20 0 JFADHN CC/C=C/Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001293717376 1066180819 /nfs/dbraw/zinc/18/08/19/1066180819.db2.gz JNSCRERMVXDZHH-AWUSRGSFSA-N 0 3 466.630 2.781 20 0 JFADHN Cc1ccc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)cc1N1CCCS1(=O)=O ZINC001293733699 1066191796 /nfs/dbraw/zinc/19/17/96/1066191796.db2.gz FAPRXHKDRWDHPU-UHFFFAOYSA-N 0 3 457.596 2.992 20 0 JFADHN CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001293747795 1066217642 /nfs/dbraw/zinc/21/76/42/1066217642.db2.gz CSYVPUVDJAAUAN-AZUAARDMSA-N 0 3 468.631 2.985 20 0 JFADHN CCC[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001293805215 1066314802 /nfs/dbraw/zinc/31/48/02/1066314802.db2.gz JGZCLJGRFDHPFS-XMMPIXPASA-N 0 3 475.659 2.964 20 0 JFADHN CCC[C@@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001293835087 1066340000 /nfs/dbraw/zinc/34/00/00/1066340000.db2.gz KXAOJVILEAJDPY-AJTFRIOCSA-N 0 3 498.672 2.768 20 0 JFADHN O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)c1ccc(=O)n(-c2ccccc2F)n1 ZINC001293845239 1066347973 /nfs/dbraw/zinc/34/79/73/1066347973.db2.gz KTFRXLGZNUCMDN-UHFFFAOYSA-N 0 3 454.477 2.784 20 0 JFADHN CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001293866129 1066376466 /nfs/dbraw/zinc/37/64/66/1066376466.db2.gz XBEIRFCXDUVNJS-ONTIZHBOSA-N 0 3 476.666 2.762 20 0 JFADHN CCC[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCN(C)C(C)(C)C1 ZINC001293911597 1066397934 /nfs/dbraw/zinc/39/79/34/1066397934.db2.gz UQBJCAWXPFJQJQ-IBGZPJMESA-N 0 3 490.722 2.889 20 0 JFADHN CCC[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)OC ZINC001293960008 1066458609 /nfs/dbraw/zinc/45/86/09/1066458609.db2.gz APJDEZLCYQORFU-FCHUYYIVSA-N 0 3 470.618 2.512 20 0 JFADHN Cc1c(C(=O)NCc2ccccc2CN2CCC(O)CC2)nnn1Cc1ccc(F)cc1F ZINC001293999957 1066501892 /nfs/dbraw/zinc/50/18/92/1066501892.db2.gz OPLJZVPXRVJFNL-UHFFFAOYSA-N 0 3 455.509 2.800 20 0 JFADHN CCC[C@H]1CN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(N(C)C)CCSC2)CCO1 ZINC001294054440 1066526346 /nfs/dbraw/zinc/52/63/46/1066526346.db2.gz GVUNJLNBMMDNHI-PGRDOPGGSA-N 0 3 452.669 2.639 20 0 JFADHN CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)CCN1CCOC ZINC001294058582 1066531229 /nfs/dbraw/zinc/53/12/29/1066531229.db2.gz SCWOPYQNHYTEHM-BHDDXSALSA-N 0 3 496.722 2.543 20 0 JFADHN CCC[C@H]1CN(c2nnc(C)n2Cc2ccnc(OC3CCOCC3)c2)CCN1CCOC ZINC001294062110 1066534138 /nfs/dbraw/zinc/53/41/38/1066534138.db2.gz UJKNDZPBQNABBU-NRFANRHFSA-N 0 3 458.607 2.525 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2ccco2)CCN1CCOC ZINC001294072595 1066541632 /nfs/dbraw/zinc/54/16/32/1066541632.db2.gz HCUUYLNZYMLARA-YADARESESA-N 0 3 454.575 2.778 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccccn3)n2CC(=O)NC2CCCCC2)CCN1CCOC ZINC001294074548 1066543758 /nfs/dbraw/zinc/54/37/58/1066543758.db2.gz SJFSOTMUUYWXQE-NRFANRHFSA-N 0 3 469.634 2.726 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@]2(OC)CCOC2)CCN1CCOC ZINC001294074581 1066543791 /nfs/dbraw/zinc/54/37/91/1066543791.db2.gz TZDFAYXOLVONJK-DVECYGJZSA-N 0 3 461.582 2.827 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cnccn3)n2CCc2scnc2C)CCN1CCOC ZINC001294077392 1066546470 /nfs/dbraw/zinc/54/64/70/1066546470.db2.gz OKLCAWACZCXYDB-SFHVURJKSA-N 0 3 456.620 2.680 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc([C@@H](C)O)cc2)CCN1CCOC ZINC001294077878 1066547280 /nfs/dbraw/zinc/54/72/80/1066547280.db2.gz TVMXGLCEBIBGAT-DENIHFKCSA-N 0 3 465.602 2.774 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CCCC2(C)C)CCN1CCOC ZINC001294077887 1066547890 /nfs/dbraw/zinc/54/78/90/1066547890.db2.gz TYQRNSJPIILTTC-YADARESESA-N 0 3 457.623 2.613 20 0 JFADHN CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001294085278 1066555226 /nfs/dbraw/zinc/55/52/26/1066555226.db2.gz DPTLDAPPESKFOB-JSXRDJHFSA-N 0 3 467.680 2.554 20 0 JFADHN F[C@]1(N2CC[C@H]3NCCO[C@H]3C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164390429 718823418 /nfs/dbraw/zinc/82/34/18/718823418.db2.gz OMYSSCQDAAIMOQ-WWMYMODYSA-N 0 3 452.361 2.984 20 0 JFADHN CN1CCN(c2cccc(N3CCO[C@@H](c4ncn5c4cccc5Br)C3)n2)CC1 ZINC001164417999 718890346 /nfs/dbraw/zinc/89/03/46/718890346.db2.gz MMTRFOKXNYRSBW-QGZVFWFLSA-N 0 3 457.376 2.822 20 0 JFADHN CN1CCN(c2cccc(N3CCO[C@H](c4ncn5c4cccc5Br)C3)n2)CC1 ZINC001164417998 718890544 /nfs/dbraw/zinc/89/05/44/718890544.db2.gz MMTRFOKXNYRSBW-KRWDZBQOSA-N 0 3 457.376 2.822 20 0 JFADHN CN(C)C(=O)CN1CC[C@@]2(CN(c3ncccc3CN3CCCC3)C[C@H]2c2ccccc2)C1=O ZINC001164631027 719144278 /nfs/dbraw/zinc/14/42/78/719144278.db2.gz MMERTWJVRRUCKR-HOFKKMOUSA-N 0 3 461.610 2.588 20 0 JFADHN CC(C)N(C)Cc1nn(C(F)(F)c2nc(Cl)ncc2C(=O)OCC2CC2)c2c1CCNC2 ZINC001164685182 719617137 /nfs/dbraw/zinc/61/71/37/719617137.db2.gz SJRUXOOLLJQGBB-UHFFFAOYSA-N 0 3 468.936 2.977 20 0 JFADHN CNC(=O)CN1CCCC12CCN(c1nc(C(OC)OC)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164687454 719731957 /nfs/dbraw/zinc/73/19/57/719731957.db2.gz XPOWUFLEDOUPQR-UHFFFAOYSA-N 0 3 461.607 2.538 20 0 JFADHN Fc1ccccc1N1CCN(c2cc(N3CCc4ncc(CN5CCCC5)n4CC3)ncn2)CC1 ZINC001164736618 720586902 /nfs/dbraw/zinc/58/69/02/720586902.db2.gz PCFSCPMRLUXAIX-UHFFFAOYSA-N 0 3 476.604 2.797 20 0 JFADHN c1nc2n(c1CN1CCCC1)CCN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)CC2 ZINC001164736272 720589122 /nfs/dbraw/zinc/58/91/22/720589122.db2.gz GEYHEMUMAJQMTI-UHFFFAOYSA-N 0 3 458.614 2.658 20 0 JFADHN CS(=O)(=O)c1nc(Cl)cc(N2CC[C@@]3(CN(CC4CC4)C[C@H]3COCc3cccnc3)C2)n1 ZINC001164755733 720868084 /nfs/dbraw/zinc/86/80/84/720868084.db2.gz YJLAIRNQNCEQHL-WMZHIEFXSA-N 0 3 492.045 2.684 20 0 JFADHN CS(=O)(=O)c1nc(Cl)cc(N2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCc3cccnc3)C2)n1 ZINC001164755731 720868360 /nfs/dbraw/zinc/86/83/60/720868360.db2.gz YJLAIRNQNCEQHL-AUSIDOKSSA-N 0 3 492.045 2.684 20 0 JFADHN CC[C@@H]1C(=O)Nc2cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2N1C1CCCC1 ZINC001164865573 721086987 /nfs/dbraw/zinc/08/69/87/721086987.db2.gz NCBZNZSGAXBDEO-QZNHQXDQSA-N 0 3 477.613 2.831 20 0 JFADHN CCOC(Cc1c(Cl)ncnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1)OCC ZINC001164866349 721089533 /nfs/dbraw/zinc/08/95/33/721089533.db2.gz SODBSDSUVWOYOL-RTBURBONSA-N 0 3 461.994 2.946 20 0 JFADHN c1ccc(N2CCN(c3ccc(N4CCN5C[C@@H](OCc6cccnc6)C[C@H]5C4)nn3)CC2)cc1 ZINC001164877001 721147053 /nfs/dbraw/zinc/14/70/53/721147053.db2.gz NPKYDEKHIKQJQZ-DQEYMECFSA-N 0 3 471.609 2.678 20 0 JFADHN c1ccc(N2CCN(c3ccc(N4CCN5C[C@H](OCc6cccnc6)C[C@H]5C4)nn3)CC2)cc1 ZINC001164877003 721147444 /nfs/dbraw/zinc/14/74/44/721147444.db2.gz NPKYDEKHIKQJQZ-LOSJGSFVSA-N 0 3 471.609 2.678 20 0 JFADHN c1ccc(N2CCN(c3cc(N4CCN5C[C@H](OCc6cccnc6)C[C@@H]5C4)ncn3)CC2)cc1 ZINC001164875527 721168092 /nfs/dbraw/zinc/16/80/92/721168092.db2.gz LUSLGFPNYPISEO-JWQCQUIFSA-N 0 3 471.609 2.678 20 0 JFADHN c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CCN3C2)c1 ZINC001164875312 721170663 /nfs/dbraw/zinc/17/06/63/721170663.db2.gz KUBDBZBLSFLAAM-JWQCQUIFSA-N 0 3 472.593 2.855 20 0 JFADHN Cn1cc(CN2CC[C@H]3CN(c4ncc(NC(=O)OC(C)(C)C)c5nc[nH]c54)C[C@@H]3C2)cn1 ZINC001164770944 721187568 /nfs/dbraw/zinc/18/75/68/721187568.db2.gz PGMIKCRWHGRZGT-IRXDYDNUSA-N 0 3 452.563 2.997 20 0 JFADHN Cn1cc(CN2CC[C@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)ncn4)C[C@H]3C2)cn1 ZINC001164773394 721212848 /nfs/dbraw/zinc/21/28/48/721212848.db2.gz WYKGXPNLFISIFE-FCHUYYIVSA-N 0 3 476.604 2.634 20 0 JFADHN c1csc(N2[C@H](Cn3cncn3)C[C@@H]3CN(c4ccc(CN5CCCC5)cn4)CC[C@@H]32)n1 ZINC001164899932 721494978 /nfs/dbraw/zinc/49/49/78/721494978.db2.gz MJQDECWAVVZBMU-HKBOAZHASA-N 0 3 450.616 2.899 20 0 JFADHN CCOC(=O)C1CCN(c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)CC1 ZINC001164908782 721542957 /nfs/dbraw/zinc/54/29/57/721542957.db2.gz QNSURQQLNBTYPX-IFMALSPDSA-N 0 3 469.561 2.737 20 0 JFADHN CCOC(=O)C1CCN(c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)CC1 ZINC001164908787 721543555 /nfs/dbraw/zinc/54/35/55/721543555.db2.gz QNSURQQLNBTYPX-IRLDBZIGSA-N 0 3 469.561 2.737 20 0 JFADHN CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)C1 ZINC001164907196 721555394 /nfs/dbraw/zinc/55/53/94/721555394.db2.gz MOPGIFZBZZAAKA-SYYKKAFVSA-N 0 3 469.561 2.737 20 0 JFADHN NC(=O)c1ccc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1Cl ZINC001164960455 722052185 /nfs/dbraw/zinc/05/21/85/722052185.db2.gz NXIKBOIVROPOSD-UHFFFAOYSA-N 0 3 465.932 2.893 20 0 JFADHN CC(=O)Oc1cc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC(C)=O ZINC001164981151 722132385 /nfs/dbraw/zinc/13/23/85/722132385.db2.gz ORFVQPLJKBPFJL-NBGIEHNGSA-N 0 3 491.548 2.603 20 0 JFADHN CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164977078 722143731 /nfs/dbraw/zinc/14/37/31/722143731.db2.gz IMASQOBNICPPHI-XKCSPQBFSA-N 0 3 473.643 2.671 20 0 JFADHN c1ccc(N2CCN(c3cc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)ncn3)CC2)cc1 ZINC001164985411 722149772 /nfs/dbraw/zinc/14/97/72/722149772.db2.gz ZJBUFTOCLZIJCC-AZGAKELHSA-N 0 3 485.636 2.926 20 0 JFADHN CN(C)c1cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(Cl)n1 ZINC001164971098 722153346 /nfs/dbraw/zinc/15/33/46/722153346.db2.gz AQSBOCKIYATXQA-DLBZAZTESA-N 0 3 452.937 2.863 20 0 JFADHN Clc1nnc(Cl)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1N1CCOCC1 ZINC001164973179 722158971 /nfs/dbraw/zinc/15/89/71/722158971.db2.gz LRJHFYDLCRUHRF-QZTJIDSGSA-N 0 3 479.412 2.742 20 0 JFADHN CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)C1 ZINC001264831788 1059698794 /nfs/dbraw/zinc/69/87/94/1059698794.db2.gz LGLSNNCLUYNSHJ-HXUWFJFHSA-N 0 3 457.619 2.699 20 0 JFADHN CC(C)N1CCN(c2ccc(C(=O)N3CCc4ccc(S(=O)(=O)N(C)C)cc43)cc2)CC1 ZINC001265102245 1059766229 /nfs/dbraw/zinc/76/62/29/1059766229.db2.gz RRLBRUOMSQXOBE-UHFFFAOYSA-N 0 3 456.612 2.670 20 0 JFADHN CC(=O)N1C[C@@H](C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)Oc2ccccc21 ZINC001265247644 1059806679 /nfs/dbraw/zinc/80/66/79/1059806679.db2.gz PALQDRQWCGSUSK-REWPJTCUSA-N 0 3 450.539 2.605 20 0 JFADHN CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001286841288 1061106339 /nfs/dbraw/zinc/10/63/39/1061106339.db2.gz LTJFKCZSYQUHQN-DENIHFKCSA-N 0 3 458.582 2.671 20 0 JFADHN CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc[nH]3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001286850082 1061176685 /nfs/dbraw/zinc/17/66/85/1061176685.db2.gz XYMGZQCNKXOJKG-HXUWFJFHSA-N 0 3 453.566 2.849 20 0 JFADHN CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H]3CCCOC3)n2CCN(C)Cc2ccccc2)C1 ZINC001286850653 1061179526 /nfs/dbraw/zinc/17/95/26/1061179526.db2.gz PQZTZFODFIJQSZ-GOTSBHOMSA-N 0 3 454.619 2.609 20 0 JFADHN CC(=O)N1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC(CN3CCOCC3)CC2)C1 ZINC001286862853 1061236997 /nfs/dbraw/zinc/23/69/97/1061236997.db2.gz SAMZTYIGHOOMMB-JOCHJYFZSA-N 0 3 460.667 2.674 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CCOc3cc(C)cc(C)c3)C[C@@H]2C)CC1 ZINC001286868465 1061256999 /nfs/dbraw/zinc/25/69/99/1061256999.db2.gz AISQVDFVZKWLGA-GBXCKJPGSA-N 0 3 454.619 2.661 20 0 JFADHN CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@@H](C)C1 ZINC001286868647 1061258350 /nfs/dbraw/zinc/25/83/50/1061258350.db2.gz AAKXUYUBQFHFDK-REWPJTCUSA-N 0 3 454.619 2.750 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccccc4C)n3CCC(=O)NC(C)C)C[C@H]2C)CC1 ZINC001286870481 1061265538 /nfs/dbraw/zinc/26/55/38/1061265538.db2.gz IPPCZPOCXWOCPS-QPPBQGQZSA-N 0 3 495.672 2.547 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3CCn3cc(Cl)cn3)C[C@H]2C)CC1 ZINC001286870820 1061268263 /nfs/dbraw/zinc/26/82/63/1061268263.db2.gz KNCBXTSSONRKQR-XLIONFOSSA-N 0 3 477.057 2.505 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H]3OCCC3(C)C)C[C@H]2C)CC1 ZINC001286870836 1061268560 /nfs/dbraw/zinc/26/85/60/1061268560.db2.gz KUISYPHOQBLCNF-FCEUIQTBSA-N 0 3 460.667 2.671 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc([C@H]4CCCO4)n3CCCOCC(C)C)C[C@H]2C)CC1 ZINC001286870893 1061268989 /nfs/dbraw/zinc/26/89/89/1061268989.db2.gz LMQYRHWLEZJRGA-AKIFATBCSA-N 0 3 476.666 2.571 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC4CC4)n3CCSC(F)(F)F)C[C@@H]2C)CC1 ZINC001286871439 1061272169 /nfs/dbraw/zinc/27/21/69/1061272169.db2.gz OFKGNHNWNAARAJ-MAUKXSAKSA-N 0 3 474.597 2.863 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3Cc3nccc(C(F)F)n3)C[C@@H]2C)CC1 ZINC001286871705 1061274727 /nfs/dbraw/zinc/27/47/27/1061274727.db2.gz PDARXRGLFHPRIW-PXNSSMCTSA-N 0 3 490.603 2.631 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CCCn3nc(C)cc3C)C[C@@H]2C)CC1 ZINC001286871763 1061275653 /nfs/dbraw/zinc/27/56/53/1061275653.db2.gz PSZVLBKBSXQQKY-CVDCTZTESA-N 0 3 470.666 2.684 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CCCOCC3CCOCC3)C[C@@H]2C)CC1 ZINC001286872199 1061277056 /nfs/dbraw/zinc/27/70/56/1061277056.db2.gz TXBPHQFIAZWGPN-URXFXBBRSA-N 0 3 490.693 2.614 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CCCOCC3CCOCC3)C[C@H]2C)CC1 ZINC001286872198 1061277293 /nfs/dbraw/zinc/27/72/93/1061277293.db2.gz TXBPHQFIAZWGPN-QPPBQGQZSA-N 0 3 490.693 2.614 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CCOc3ccccc3Cl)C[C@H]2C)CC1 ZINC001286872357 1061277351 /nfs/dbraw/zinc/27/73/51/1061277351.db2.gz UQCPGPWYUJLWMP-DYESRHJHSA-N 0 3 461.010 2.698 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3CC3(C)CCOCC3)C[C@H]2C)CC1 ZINC001286872536 1061279124 /nfs/dbraw/zinc/27/91/24/1061279124.db2.gz WAAGZZPEMODFQN-CTNGQTDRSA-N 0 3 460.667 2.771 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[C@H]3CCOC3)C[C@H]2C)CC1 ZINC001286872803 1061280986 /nfs/dbraw/zinc/28/09/86/1061280986.db2.gz YJPMGICZMGHKCR-BAGYTPMASA-N 0 3 460.667 2.672 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3Cc3cccc(O)c3)C[C@@H]2C)CC1 ZINC001286873003 1061283845 /nfs/dbraw/zinc/28/38/45/1061283845.db2.gz ZYRXNGDGRAWCOA-WMZHIEFXSA-N 0 3 454.619 2.609 20 0 JFADHN CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCN(C)C(C)(C)C2)[C@H](C)C1 ZINC001286877631 1061296166 /nfs/dbraw/zinc/29/61/66/1061296166.db2.gz YODNVPRAWQBUHR-QGZVFWFLSA-N 0 3 492.043 2.821 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@H]2CCCN2CCCO)cc1C ZINC001289725692 1061333435 /nfs/dbraw/zinc/33/34/35/1061333435.db2.gz IIXJEEXBMQNPJA-JTHBVZDNSA-N 0 3 484.645 2.857 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H](C)N2CCC(C)CC2)cc1C ZINC001289728900 1061338629 /nfs/dbraw/zinc/33/86/29/1061338629.db2.gz JUZURIJJILMMMJ-VQTJNVASSA-N 0 3 467.618 2.579 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2CC(C)C)cc1C ZINC001289741987 1061357885 /nfs/dbraw/zinc/35/78/85/1061357885.db2.gz YYEPJDMTFDBRTI-OAQYLSRUSA-N 0 3 467.618 2.546 20 0 JFADHN Cc1ccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001289750633 1061372136 /nfs/dbraw/zinc/37/21/36/1061372136.db2.gz ITELUXMRIANLBB-NRFANRHFSA-N 0 3 483.661 2.902 20 0 JFADHN CC(=O)NC1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CCC(C)CC2)CC1 ZINC001286896544 1061380085 /nfs/dbraw/zinc/38/00/85/1061380085.db2.gz FTVBNFZPIHRXAI-JSRJAPPDSA-N 0 3 473.666 2.518 20 0 JFADHN Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H](C(C)C)N2CCCC2)cc1 ZINC001289809194 1061452428 /nfs/dbraw/zinc/45/24/28/1061452428.db2.gz OJSHWMHJQRYXHU-FCHUYYIVSA-N 0 3 475.659 2.909 20 0 JFADHN CC(=O)NC[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCCC2)C1 ZINC001286921678 1061518792 /nfs/dbraw/zinc/51/87/92/1061518792.db2.gz JBUUFDSFFYJJFH-OAQYLSRUSA-N 0 3 467.618 2.596 20 0 JFADHN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@H]3CCCCO3)n2CCN2CCCCC2)cc1 ZINC001289856600 1061536631 /nfs/dbraw/zinc/53/66/31/1061536631.db2.gz VEYKEUOIAXSZNB-JOCHJYFZSA-N 0 3 490.674 2.729 20 0 JFADHN Cc1ccc(SCc2nnc(N3CCS(=O)(=O)CC3)n2CC2(N(C)C)CCCC2)cc1 ZINC001289876898 1061560639 /nfs/dbraw/zinc/56/06/39/1061560639.db2.gz GVSBEYYLDWNKBV-UHFFFAOYSA-N 0 3 463.673 2.988 20 0 JFADHN Cc1ccc(SCc2nnc(N3CCN(CC(C)C)CC3)n2CCNC(=O)c2ccn[nH]2)cc1 ZINC001289879484 1061564507 /nfs/dbraw/zinc/56/45/07/1061564507.db2.gz RSKBXKWRKUUXQR-UHFFFAOYSA-N 0 3 482.658 2.810 20 0 JFADHN CCC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001294093454 1061572269 /nfs/dbraw/zinc/57/22/69/1061572269.db2.gz DQHUFJMIIACOQX-RTWAWAEBSA-N 0 3 489.690 2.582 20 0 JFADHN CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001286940923 1061585519 /nfs/dbraw/zinc/58/55/19/1061585519.db2.gz ISXXRAZWMPTXHA-ROUUACIJSA-N 0 3 458.588 2.552 20 0 JFADHN CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(N(C)C)nc2)CCN1CCOC ZINC001294105542 1061586867 /nfs/dbraw/zinc/58/68/67/1061586867.db2.gz YQZXOQRLMUDHHD-NHCUHLMSSA-N 0 3 457.623 2.576 20 0 JFADHN Cc1cccc(C)c1NC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001289901946 1061588191 /nfs/dbraw/zinc/58/81/91/1061588191.db2.gz NQNUGVFYMXFXLL-NRFANRHFSA-N 0 3 495.672 2.865 20 0 JFADHN CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001294121417 1061602194 /nfs/dbraw/zinc/60/21/94/1061602194.db2.gz WSXCQPDHNFLRIE-JOCHJYFZSA-N 0 3 470.618 2.895 20 0 JFADHN CC(=O)NCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001286947513 1061647745 /nfs/dbraw/zinc/64/77/45/1061647745.db2.gz ZAJUDVIRMIXSMY-GMAHTHKFSA-N 0 3 484.645 2.720 20 0 JFADHN Cc1cccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2C[C@@](C)(O)CCC(C)C)n1 ZINC001289978928 1061699376 /nfs/dbraw/zinc/69/93/76/1061699376.db2.gz HWUPCJQGUSOIKO-NVQXNPDNSA-N 0 3 483.661 2.579 20 0 JFADHN Cc1cccc(-c2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2C[C@@](C)(O)CCC(C)C)n1 ZINC001289978925 1061699533 /nfs/dbraw/zinc/69/95/33/1061699533.db2.gz HWUPCJQGUSOIKO-GJZUVCINSA-N 0 3 483.661 2.579 20 0 JFADHN Cc1cccc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(CCC(C)(C)C)CC2)n1 ZINC001290003416 1061729722 /nfs/dbraw/zinc/72/97/22/1061729722.db2.gz PCYCRJSJAYXFLR-HXUWFJFHSA-N 0 3 491.706 2.783 20 0 JFADHN CCCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001294223124 1061733452 /nfs/dbraw/zinc/73/34/52/1061733452.db2.gz BUZQYRUGKPVNSE-JOCHJYFZSA-N 0 3 470.618 2.920 20 0 JFADHN CCCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001294223124 1061733473 /nfs/dbraw/zinc/73/34/73/1061733473.db2.gz BUZQYRUGKPVNSE-JOCHJYFZSA-N 0 3 470.618 2.920 20 0 JFADHN Cc1cccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCC2)c1 ZINC001290047065 1061766565 /nfs/dbraw/zinc/76/65/65/1061766565.db2.gz MDUDOTTYNNHUJN-IBGZPJMESA-N 0 3 461.632 2.663 20 0 JFADHN COc1cc(OC)cc(N2CC[C@H](NC(=O)Cc3csc(SCCN(C)C)n3)C2)c1 ZINC001294291326 1061776804 /nfs/dbraw/zinc/77/68/04/1061776804.db2.gz KEYKMVMYJYWPJS-HNNXBMFYSA-N 0 3 450.630 2.752 20 0 JFADHN CCCCN1CCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001294313759 1061805500 /nfs/dbraw/zinc/80/55/00/1061805500.db2.gz DVEYFNLHPRDODU-FCHUYYIVSA-N 0 3 474.675 2.932 20 0 JFADHN CCCCN1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001294313760 1061805958 /nfs/dbraw/zinc/80/59/58/1061805958.db2.gz DVEYFNLHPRDODU-FGZHOGPDSA-N 0 3 474.675 2.932 20 0 JFADHN CC(C)(C)C(=O)NCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001286985067 1061850562 /nfs/dbraw/zinc/85/05/62/1061850562.db2.gz QZEBPGYTRHGFHT-GOSISDBHSA-N 0 3 475.037 2.919 20 0 JFADHN CC(C)(C)C(=O)NCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001286985068 1061850677 /nfs/dbraw/zinc/85/06/77/1061850677.db2.gz QZEBPGYTRHGFHT-SFHVURJKSA-N 0 3 475.037 2.919 20 0 JFADHN CCCCNC(=O)[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCCN2CCN(CC)CC2)C1 ZINC001294338568 1061879860 /nfs/dbraw/zinc/87/98/60/1061879860.db2.gz VMPYOMODOVGUEH-NRFANRHFSA-N 0 3 461.699 2.736 20 0 JFADHN Cc1ccccc1Cc1nnc(N(C)Cc2cnccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001290151181 1061892627 /nfs/dbraw/zinc/89/26/27/1061892627.db2.gz NEJVQUBBGOYPSD-HSZRJFAPSA-N 0 3 476.629 2.546 20 0 JFADHN Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CCN1CCN(C)C(C)(C)C1 ZINC001290175358 1061922700 /nfs/dbraw/zinc/92/27/00/1061922700.db2.gz YRMZCSWEIPFBEH-QHCPKHFHSA-N 0 3 495.716 2.896 20 0 JFADHN CC(C)(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O ZINC001287007872 1061932763 /nfs/dbraw/zinc/93/27/63/1061932763.db2.gz KBGSHVBMWNLLCY-RBUKOAKNSA-N 0 3 466.696 2.700 20 0 JFADHN CC(C)(C)c1nnc(N2CCN(C3Cc4ccccc4C3)CC2)n1CC(=O)NCC(F)(F)F ZINC001287008592 1061934375 /nfs/dbraw/zinc/93/43/75/1061934375.db2.gz JALLDCRMEZTDBP-UHFFFAOYSA-N 0 3 464.536 2.544 20 0 JFADHN CC(C)(C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1cccc(Br)n1 ZINC001287011628 1061943322 /nfs/dbraw/zinc/94/33/22/1061943322.db2.gz SZPUUABXRDMINP-MRXNPFEDSA-N 0 3 463.424 2.940 20 0 JFADHN Cc1cccnc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001290220553 1061968561 /nfs/dbraw/zinc/96/85/61/1061968561.db2.gz IBOKGSNYLBNXII-UHFFFAOYSA-N 0 3 497.669 2.868 20 0 JFADHN C[C@@H]1CN(CCCCNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC001294413981 1061979004 /nfs/dbraw/zinc/97/90/04/1061979004.db2.gz GIYGWWJBKKEDEX-WOIUINJBSA-N 0 3 458.603 2.969 20 0 JFADHN C[C@H]1CN(CCCCNC(=O)c2ccnc(Cl)c2I)C[C@H](C)O1 ZINC001294415255 1061982315 /nfs/dbraw/zinc/98/23/15/1061982315.db2.gz YEVWUTZFGITBHD-RYUDHWBXSA-N 0 3 451.736 2.959 20 0 JFADHN CC1=CCN(c2nnc(CCOc3ccccc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001290265585 1061996228 /nfs/dbraw/zinc/99/62/28/1061996228.db2.gz YMSIVBJCPYJFGI-QHCPKHFHSA-N 0 3 466.630 2.999 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCCC2=O)CC1 ZINC001287040123 1062007041 /nfs/dbraw/zinc/00/70/41/1062007041.db2.gz VFJTYBIEZADQDM-UHFFFAOYSA-N 0 3 496.660 2.886 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287040884 1062007701 /nfs/dbraw/zinc/00/77/01/1062007701.db2.gz AWDYBGFTKKJOAM-OALUTQOASA-N 0 3 488.599 2.603 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNc2ccccn2)CC1 ZINC001287041578 1062009272 /nfs/dbraw/zinc/00/92/72/1062009272.db2.gz MYQUJFJXZGTTHN-IBGZPJMESA-N 0 3 454.623 2.685 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCCCCC2)CC1 ZINC001287041525 1062009511 /nfs/dbraw/zinc/00/95/11/1062009511.db2.gz KNWDEAZHYSUYKW-FQEVSTJZSA-N 0 3 473.666 2.580 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCCS(C)(=O)=O)CC1 ZINC001287042059 1062010651 /nfs/dbraw/zinc/01/06/51/1062010651.db2.gz XSBBLQIGVBNCMV-HXUWFJFHSA-N 0 3 469.696 2.945 20 0 JFADHN CC1(C)CN(C(=O)CCCc2nnc(-c3ccccc3I)o2)CCN1 ZINC001294491045 1062033474 /nfs/dbraw/zinc/03/34/74/1062033474.db2.gz FAUIDXNMYVRWJF-UHFFFAOYSA-N 0 3 454.312 2.874 20 0 JFADHN CC(C)OCCN1CCC(NC(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CC1 ZINC001294501888 1062037613 /nfs/dbraw/zinc/03/76/13/1062037613.db2.gz ADTLSPJMBJPISG-SFHVURJKSA-N 0 3 451.995 2.573 20 0 JFADHN CN(CCCNC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC001290318948 1062043098 /nfs/dbraw/zinc/04/30/98/1062043098.db2.gz RZNCGATVGMCBAJ-HKBQPEDESA-N 0 3 451.633 2.773 20 0 JFADHN CCCN(CC)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001294518942 1062054823 /nfs/dbraw/zinc/05/48/23/1062054823.db2.gz CNAIPZZOCPPQCB-JOCHJYFZSA-N 0 3 491.658 2.926 20 0 JFADHN CCCN(CC)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294527848 1062063935 /nfs/dbraw/zinc/06/39/35/1062063935.db2.gz QBKUJRYDMVXQAA-HXUWFJFHSA-N 0 3 458.632 2.636 20 0 JFADHN CCCN(CC)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001294529161 1062065642 /nfs/dbraw/zinc/06/56/42/1062065642.db2.gz HSMQTYXIWFNBLK-SFTDATJTSA-N 0 3 497.706 2.672 20 0 JFADHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001290372389 1062076711 /nfs/dbraw/zinc/07/67/11/1062076711.db2.gz MHEPTDZWSXKZBE-DLBZAZTESA-N 0 3 454.017 2.945 20 0 JFADHN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCCO1 ZINC001287057014 1062079210 /nfs/dbraw/zinc/07/92/10/1062079210.db2.gz NXQNVBPPZXKGFC-MOPGFXCFSA-N 0 3 478.638 2.686 20 0 JFADHN Cc1nc(Cc2nnc(N(C)CCN3CCOCC3)n2C[C@@H](c2cccc(F)c2)N(C)C)cs1 ZINC001290402497 1062107630 /nfs/dbraw/zinc/10/76/30/1062107630.db2.gz YQCSQENYAHBUAP-QFIPXVFZSA-N 0 3 487.649 2.844 20 0 JFADHN CCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001294602344 1062112482 /nfs/dbraw/zinc/11/24/82/1062112482.db2.gz MLDQRPTUXVKXAW-GOSISDBHSA-N 0 3 491.434 2.869 20 0 JFADHN CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001294611880 1062120800 /nfs/dbraw/zinc/12/08/00/1062120800.db2.gz DAHXYPGGYPWVEA-IBGZPJMESA-N 0 3 462.639 2.961 20 0 JFADHN Cc1nc(Cc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H](c2cccs2)N(C)C)cs1 ZINC001290410434 1062126168 /nfs/dbraw/zinc/12/61/68/1062126168.db2.gz CWIJHBKBFFPVED-IERDGZPVSA-N 0 3 459.645 2.700 20 0 JFADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1ccc(S(=O)(=O)CC2CC2)cc1 ZINC001290415435 1062135514 /nfs/dbraw/zinc/13/55/14/1062135514.db2.gz FNWSVXIYIIUSBF-UHFFFAOYSA-N 0 3 455.624 2.808 20 0 JFADHN CC(C)(C)OC(=O)NC[C@H]1CN(c2nnc(C3CCCC3)n2CCN2CC=CCC2)CCO1 ZINC001287065559 1062137288 /nfs/dbraw/zinc/13/72/88/1062137288.db2.gz DTJNEGSIXUCVBR-FQEVSTJZSA-N 0 3 460.623 2.928 20 0 JFADHN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC001290416386 1062137886 /nfs/dbraw/zinc/13/78/86/1062137886.db2.gz SRMZYXBNYJJWQT-ZRBLBEILSA-N 0 3 456.631 2.814 20 0 JFADHN CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)c2nccs2)C1 ZINC001294655885 1062200952 /nfs/dbraw/zinc/20/09/52/1062200952.db2.gz DDXDKLJRJYEYNK-OKZBNKHCSA-N 0 3 466.677 2.609 20 0 JFADHN CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)c2nccs2)C1 ZINC001294655884 1062201235 /nfs/dbraw/zinc/20/12/35/1062201235.db2.gz DDXDKLJRJYEYNK-FGTMMUONSA-N 0 3 466.677 2.609 20 0 JFADHN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCN2CC=CCC2)C1 ZINC001287072936 1062209807 /nfs/dbraw/zinc/20/98/07/1062209807.db2.gz DOQIPDROKCILOK-FQEVSTJZSA-N 0 3 453.591 2.629 20 0 JFADHN Cc1nc(Cc2nnc(N3CCSC[C@H]3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)cs1 ZINC001290440868 1062211011 /nfs/dbraw/zinc/21/10/11/1062211011.db2.gz YMRCIEVLQUABKZ-APWZRJJASA-N 0 3 477.704 2.518 20 0 JFADHN CCCN1CC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294667537 1062222300 /nfs/dbraw/zinc/22/23/00/1062222300.db2.gz APCIEFTWTNFPNS-FCHUYYIVSA-N 0 3 459.660 2.809 20 0 JFADHN CCC[N@@H+]1CC[C@@H](Cn2c(N3CCN(C(=O)c4ccccc4[O-])CC3)nnc2C(C)(C)C)C1 ZINC001294669366 1062225376 /nfs/dbraw/zinc/22/53/76/1062225376.db2.gz IXPDYHFCBFVJHB-LJQANCHMSA-N 0 3 454.619 2.976 20 0 JFADHN CCC[N@H+]1CC[C@@H](Cn2c(N3CCN(C(=O)c4ccccc4[O-])CC3)nnc2C(C)(C)C)C1 ZINC001294669366 1062225397 /nfs/dbraw/zinc/22/53/97/1062225397.db2.gz IXPDYHFCBFVJHB-LJQANCHMSA-N 0 3 454.619 2.976 20 0 JFADHN CCCN1CC[C@@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294672104 1062231535 /nfs/dbraw/zinc/23/15/35/1062231535.db2.gz YJLJFYLCASGMGE-IFMALSPDSA-N 0 3 475.659 2.911 20 0 JFADHN Cc1nc(CCn2c(-c3ccccc3F)nnc2N2CCN(CCCOCC(F)(F)F)CC2)n[nH]1 ZINC001290454434 1062232107 /nfs/dbraw/zinc/23/21/07/1062232107.db2.gz PJGKJPSZJXPZQG-UHFFFAOYSA-N 0 3 496.513 2.844 20 0 JFADHN Cc1n[nH]c(CCn2c(-c3ccccc3F)nnc2N2CCN(CCCOCC(F)(F)F)CC2)n1 ZINC001290454434 1062232118 /nfs/dbraw/zinc/23/21/18/1062232118.db2.gz PJGKJPSZJXPZQG-UHFFFAOYSA-N 0 3 496.513 2.844 20 0 JFADHN CCCN1CCC(N(C)c2nnc([C@H]3COc4ccccc4O3)n2CC[S@](=O)CC)CC1 ZINC001294684183 1062244132 /nfs/dbraw/zinc/24/41/32/1062244132.db2.gz SWQNNHOTLCGXCG-XFSFLGPDSA-N 0 3 461.632 2.870 20 0 JFADHN CN(C)Cc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)c1 ZINC001290472952 1062262668 /nfs/dbraw/zinc/26/26/68/1062262668.db2.gz JHLFBPFLEYQAFE-OAQYLSRUSA-N 0 3 459.344 2.916 20 0 JFADHN Cc1ncc(CN(C)c2nnc(Cc3ccncc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)s1 ZINC001290482171 1062271836 /nfs/dbraw/zinc/27/18/36/1062271836.db2.gz GIYKLLSMJUNSSY-OAQYLSRUSA-N 0 3 482.658 2.608 20 0 JFADHN Cc1nccn1CCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001290509068 1062307767 /nfs/dbraw/zinc/30/77/67/1062307767.db2.gz YUFIQJPWBWVGGZ-UHFFFAOYSA-N 0 3 470.666 2.596 20 0 JFADHN CC(C)(O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001287099701 1062308339 /nfs/dbraw/zinc/30/83/39/1062308339.db2.gz LUXAXBZJYGXLTN-HNNXBMFYSA-N 0 3 482.398 2.776 20 0 JFADHN CCN(CC)[C@@H](CNC(=O)C1(O)CN(C(=O)OCc2ccccc2)C1)c1cccc(OC)c1 ZINC001290522779 1062323542 /nfs/dbraw/zinc/32/35/42/1062323542.db2.gz DHLOQJYGWSTOFG-QFIPXVFZSA-N 0 3 455.555 2.578 20 0 JFADHN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N(C)C)CCC1 ZINC001290541554 1062342096 /nfs/dbraw/zinc/34/20/96/1062342096.db2.gz HOSWKEQNPZREIG-UHFFFAOYSA-N 0 3 485.658 2.820 20 0 JFADHN CCCNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001294775603 1062374542 /nfs/dbraw/zinc/37/45/42/1062374542.db2.gz BXRMZPARNGBWGH-UHFFFAOYSA-N 0 3 469.634 2.525 20 0 JFADHN CC(C)C(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001287124288 1062381623 /nfs/dbraw/zinc/38/16/23/1062381623.db2.gz HMNRCLCGZRWWME-FGZHOGPDSA-N 0 3 489.709 2.534 20 0 JFADHN CCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001294780859 1062384576 /nfs/dbraw/zinc/38/45/76/1062384576.db2.gz OLORDSJSDAFKGC-PKTZIBPZSA-N 0 3 495.672 2.824 20 0 JFADHN CC(C)C(=O)NCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001287129162 1062407085 /nfs/dbraw/zinc/40/70/85/1062407085.db2.gz YUUDTEOJLWHWBS-OAQYLSRUSA-N 0 3 470.618 2.873 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)n1 ZINC001290597720 1062419625 /nfs/dbraw/zinc/41/96/25/1062419625.db2.gz HUEZUDKYHQHXCA-QHCPKHFHSA-N 0 3 478.645 2.719 20 0 JFADHN CC(C)C(=O)NCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001287130821 1062420144 /nfs/dbraw/zinc/42/01/44/1062420144.db2.gz WHEBEBSSOJOLHX-UHFFFAOYSA-N 0 3 490.599 2.610 20 0 JFADHN CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001294797547 1062433626 /nfs/dbraw/zinc/43/36/26/1062433626.db2.gz UESLHIAJHJYGEY-SIKLNZKXSA-N 0 3 480.592 2.920 20 0 JFADHN CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001294797546 1062433714 /nfs/dbraw/zinc/43/37/14/1062433714.db2.gz UESLHIAJHJYGEY-KNQAVFIVSA-N 0 3 480.592 2.920 20 0 JFADHN CC(C)C(=O)NCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001287140380 1062495260 /nfs/dbraw/zinc/49/52/60/1062495260.db2.gz JKFZKHVTOPJGJF-UHFFFAOYSA-N 0 3 489.064 2.843 20 0 JFADHN CC(C)[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001287146287 1062511910 /nfs/dbraw/zinc/51/19/10/1062511910.db2.gz PWOIOYVNNIDZNL-KKSFZXQISA-N 0 3 481.439 2.601 20 0 JFADHN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001287153148 1062530190 /nfs/dbraw/zinc/53/01/90/1062530190.db2.gz MYDKJZNTORFCRY-VJBMBRPKSA-N 0 3 495.672 2.909 20 0 JFADHN CC(C)[C@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001287153244 1062530688 /nfs/dbraw/zinc/53/06/88/1062530688.db2.gz MCAWMZSMPDWDRS-NTKDMRAZSA-N 0 3 461.582 2.562 20 0 JFADHN CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001287155908 1062541748 /nfs/dbraw/zinc/54/17/48/1062541748.db2.gz GDIOWISYCVYVOB-IBGZPJMESA-N 0 3 491.681 2.984 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCN(CC4CC4)CC3)n2CCN(C)C(=O)OC(C)(C)C)n1 ZINC001290648843 1062546142 /nfs/dbraw/zinc/54/61/42/1062546142.db2.gz XEVRFZKDIRSXHC-UHFFFAOYSA-N 0 3 472.638 2.539 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H](c2ccc(F)cc2)N(C)C)n1 ZINC001290651445 1062550292 /nfs/dbraw/zinc/55/02/92/1062550292.db2.gz CMPRFJVXQUBIMO-XGRCMKMKSA-N 0 3 455.582 2.789 20 0 JFADHN CC(C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(C(C)(C)C)CC1)N1CCOCC1 ZINC001287159174 1062554813 /nfs/dbraw/zinc/55/48/13/1062554813.db2.gz BKAJPGMPMDVBSJ-QFIPXVFZSA-N 0 3 455.651 2.541 20 0 JFADHN CC(C)c1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001287173400 1062595666 /nfs/dbraw/zinc/59/56/66/1062595666.db2.gz BZJGBOFFCHQZKK-NRFANRHFSA-N 0 3 489.734 2.999 20 0 JFADHN CC(C)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CC(=O)NC1CCCCC1 ZINC001287178724 1062602146 /nfs/dbraw/zinc/60/21/46/1062602146.db2.gz KMQCWVDPUGHQAE-UHFFFAOYSA-N 0 3 456.639 2.648 20 0 JFADHN CC(C)c1nnc(N(C)Cc2nc3ccccc3c(=O)[nH]2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001287181733 1062607782 /nfs/dbraw/zinc/60/77/82/1062607782.db2.gz VALAFKSDIRIRBL-HXUWFJFHSA-N 0 3 480.617 2.629 20 0 JFADHN CC(C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001287200898 1062640597 /nfs/dbraw/zinc/64/05/97/1062640597.db2.gz JSGSKFBLSTWIIM-FLASPHMUSA-N 0 3 472.703 2.933 20 0 JFADHN Cc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001290710066 1062642798 /nfs/dbraw/zinc/64/27/98/1062642798.db2.gz UMBNTTBZMLIXJW-GOSISDBHSA-N 0 3 460.627 2.639 20 0 JFADHN CCCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001294911561 1062664831 /nfs/dbraw/zinc/66/48/31/1062664831.db2.gz CEIQXVMAPAHZAR-QHCPKHFHSA-N 0 3 497.688 2.605 20 0 JFADHN CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1ccccc1OC(F)F ZINC001287213920 1062675014 /nfs/dbraw/zinc/67/50/14/1062675014.db2.gz HJHSQBGYZIFKFA-SFHVURJKSA-N 0 3 462.545 2.794 20 0 JFADHN CN1CCN(CCCCNC(=O)c2c(Cl)ccc(I)c2F)CC1 ZINC001290771040 1062688637 /nfs/dbraw/zinc/68/86/37/1062688637.db2.gz JZJFKNVFDDKZMO-UHFFFAOYSA-N 0 3 453.727 2.841 20 0 JFADHN CC(C)N(C)CCCNC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC001290782263 1062693127 /nfs/dbraw/zinc/69/31/27/1062693127.db2.gz OOVPVIWAKRRGHC-HKUYNNGSSA-N 0 3 459.450 2.889 20 0 JFADHN Cc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001290868230 1062750973 /nfs/dbraw/zinc/75/09/73/1062750973.db2.gz VPDMEXKXIHHKFM-MRXNPFEDSA-N 0 3 468.524 2.855 20 0 JFADHN Cc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001290868417 1062751462 /nfs/dbraw/zinc/75/14/62/1062751462.db2.gz XTALMUVETCGOND-DEOSSOPVSA-N 0 3 485.652 2.942 20 0 JFADHN Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001290869979 1062754652 /nfs/dbraw/zinc/75/46/52/1062754652.db2.gz NVMPMQOYNIDXIC-WUMKDDEVSA-N 0 3 485.652 2.845 20 0 JFADHN CCCOc1cccc(CCn2c(C)nnc2N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)c1 ZINC001294972881 1062755945 /nfs/dbraw/zinc/75/59/45/1062755945.db2.gz OJQBKKXTEZZHKX-CPJSRVTESA-N 0 3 468.646 2.997 20 0 JFADHN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC001294973436 1062756982 /nfs/dbraw/zinc/75/69/82/1062756982.db2.gz HBNYGGJGTPEQMG-UHFFFAOYSA-N 0 3 456.934 2.781 20 0 JFADHN Cc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC001290872045 1062758446 /nfs/dbraw/zinc/75/84/46/1062758446.db2.gz PXVVLBCUIQEUGV-RBUKOAKNSA-N 0 3 465.568 2.870 20 0 JFADHN Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001290876350 1062760443 /nfs/dbraw/zinc/76/04/43/1062760443.db2.gz MILKIBXQINGKON-UHFFFAOYSA-N 0 3 454.497 2.520 20 0 JFADHN CC(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C(C)C)C1)N1CCCC1 ZINC001287286696 1062760495 /nfs/dbraw/zinc/76/04/95/1062760495.db2.gz IGJBGCWMSWAXOX-AQNXPRMDSA-N 0 3 469.721 2.878 20 0 JFADHN CN1CCN(Cc2ccc(CNC(=O)c3ccccc3S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC001290920990 1062796689 /nfs/dbraw/zinc/79/66/89/1062796689.db2.gz RBOZMEXXJDTBGA-UHFFFAOYSA-N 0 3 455.502 2.658 20 0 JFADHN CC(C)C[C@@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001287321695 1062799258 /nfs/dbraw/zinc/79/92/58/1062799258.db2.gz LGAVDKONZXTUFQ-UXHICEINSA-N 0 3 485.658 2.935 20 0 JFADHN CC(C)Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001287413486 1062852108 /nfs/dbraw/zinc/85/21/08/1062852108.db2.gz LUNVKWQSTOJSHY-OAQYLSRUSA-N 0 3 480.654 2.684 20 0 JFADHN CC(C)Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@](C)(O)c1ccccc1 ZINC001287417635 1062855189 /nfs/dbraw/zinc/85/51/89/1062855189.db2.gz CEQSBWPIZCTAHU-BVAGGSTKSA-N 0 3 454.663 2.989 20 0 JFADHN CC(C)Cc1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001287420420 1062859758 /nfs/dbraw/zinc/85/97/58/1062859758.db2.gz QNCGYRDTGLNOFZ-BKMJKUGQSA-N 0 3 486.636 2.656 20 0 JFADHN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001287445495 1062880060 /nfs/dbraw/zinc/88/00/60/1062880060.db2.gz AUIPWUIEDIDNCS-RTWAWAEBSA-N 0 3 489.709 2.550 20 0 JFADHN CC(C)Cc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001287454407 1062889771 /nfs/dbraw/zinc/88/97/71/1062889771.db2.gz QBQHNWUNGBRJFE-UHFFFAOYSA-N 0 3 499.679 2.994 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCOc1ccccc1 ZINC001287462204 1062901165 /nfs/dbraw/zinc/90/11/65/1062901165.db2.gz JUEBDHYZUKLICH-QFIPXVFZSA-N 0 3 454.619 2.689 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCc1ccc(F)c(F)c1 ZINC001287462881 1062904202 /nfs/dbraw/zinc/90/42/02/1062904202.db2.gz UDZGBHUBVPNJJD-OAQYLSRUSA-N 0 3 460.573 2.740 20 0 JFADHN CCN(C)C(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001295084464 1062919660 /nfs/dbraw/zinc/91/96/60/1062919660.db2.gz RXEHUPLSBXIIOZ-HSZRJFAPSA-N 0 3 497.688 2.557 20 0 JFADHN C[C@@H]1C[C@H](C)CN(CCCn2c(Cc3ccsc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001291015704 1062926822 /nfs/dbraw/zinc/92/68/22/1062926822.db2.gz VGXYAOYQISZPOH-NSHGMRRFSA-N 0 3 465.689 2.922 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCCOCC1CCOCC1 ZINC001287477506 1062934554 /nfs/dbraw/zinc/93/45/54/1062934554.db2.gz ZVMUCWZUWYFKDQ-NRFANRHFSA-N 0 3 463.667 2.999 20 0 JFADHN CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001287507184 1062955350 /nfs/dbraw/zinc/95/53/50/1062955350.db2.gz REXOHPCOBSHZSH-LJQANCHMSA-N 0 3 463.671 2.606 20 0 JFADHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001295145522 1062966051 /nfs/dbraw/zinc/96/60/51/1062966051.db2.gz FJWCIRYYVMIYOZ-ROUUACIJSA-N 0 3 455.452 2.974 20 0 JFADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CCN(C)Cc1ccc(F)cc1 ZINC001291043354 1062972177 /nfs/dbraw/zinc/97/21/77/1062972177.db2.gz BPZBWNXWHSWZAO-FGTMMUONSA-N 0 3 466.627 2.784 20 0 JFADHN CC(C)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001287627730 1063008953 /nfs/dbraw/zinc/00/89/53/1063008953.db2.gz JKNUSQFOXYPVRU-UHFFFAOYSA-N 0 3 458.582 2.787 20 0 JFADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC001291068010 1063015468 /nfs/dbraw/zinc/01/54/68/1063015468.db2.gz ICGYGMOBVSXILV-IHZGOTPNSA-N 0 3 455.669 2.550 20 0 JFADHN CC(C)CCOC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(N(C)C)CCSC2)CC1 ZINC001287638495 1063017251 /nfs/dbraw/zinc/01/72/51/1063017251.db2.gz DJQHYCYOWBWFRQ-DEOSSOPVSA-N 0 3 478.707 2.983 20 0 JFADHN CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295229817 1063052678 /nfs/dbraw/zinc/05/26/78/1063052678.db2.gz SPAARASTJCYUHG-IRLDBZIGSA-N 0 3 474.675 2.645 20 0 JFADHN CC(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001287729784 1063052831 /nfs/dbraw/zinc/05/28/31/1063052831.db2.gz WYEUEIHNISEIJK-PSWAGMNNSA-N 0 3 483.705 2.844 20 0 JFADHN CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295236204 1063057210 /nfs/dbraw/zinc/05/72/10/1063057210.db2.gz HKKZTLJNFNWPBF-PKOBYXMFSA-N 0 3 451.662 2.676 20 0 JFADHN CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCC(O)CC1)C(C)C ZINC001295243864 1063063031 /nfs/dbraw/zinc/06/30/31/1063063031.db2.gz HMUICANHHRIDMN-UHFFFAOYSA-N 0 3 454.619 2.640 20 0 JFADHN C[C@H]1CCCCN1CCCn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001291099233 1063064422 /nfs/dbraw/zinc/06/44/22/1063064422.db2.gz DGBCHFMPDBFOHR-PKOBYXMFSA-N 0 3 451.662 2.818 20 0 JFADHN CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC001287743013 1063070265 /nfs/dbraw/zinc/07/02/65/1063070265.db2.gz RJTKHLRJUNPIGM-LJQANCHMSA-N 0 3 458.582 2.899 20 0 JFADHN CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(F)c(F)c2)CC1 ZINC001287742838 1063070507 /nfs/dbraw/zinc/07/05/07/1063070507.db2.gz YWCHBYUQIJRVCO-UHFFFAOYSA-N 0 3 462.545 2.649 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(F)cn2)CC1 ZINC001287749071 1063073306 /nfs/dbraw/zinc/07/33/06/1063073306.db2.gz DHNPPKQDZSPJKL-UHFFFAOYSA-N 0 3 472.590 2.709 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001287749610 1063073930 /nfs/dbraw/zinc/07/39/30/1063073930.db2.gz GRVSVFQUHOJFRY-UHFFFAOYSA-N 0 3 480.455 2.976 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)cc2)CC1 ZINC001287749607 1063074033 /nfs/dbraw/zinc/07/40/33/1063074033.db2.gz ORZMDJDCFKGONL-KRWDZBQOSA-N 0 3 469.055 2.562 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2COCCO2)CC1 ZINC001287749244 1063074115 /nfs/dbraw/zinc/07/41/15/1063074115.db2.gz GBPBZVBBNJPREE-IBGZPJMESA-N 0 3 451.518 2.740 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ncccc2N(C)C)CC1 ZINC001287749846 1063074474 /nfs/dbraw/zinc/07/44/74/1063074474.db2.gz JJVYFFNIRTWHOU-RUZDIDTESA-N 0 3 471.650 2.606 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001287749848 1063074515 /nfs/dbraw/zinc/07/45/15/1063074515.db2.gz QKJKRRDVPLUQBS-XEVCZEQESA-N 0 3 484.711 2.650 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCCCC2)CC1 ZINC001287749917 1063074664 /nfs/dbraw/zinc/07/46/64/1063074664.db2.gz KEBDAWMFNURRGK-UHFFFAOYSA-N 0 3 475.659 2.822 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2OC(C)C)CC1 ZINC001287751160 1063076597 /nfs/dbraw/zinc/07/65/97/1063076597.db2.gz WRZMQJUZBUZRCM-IBGZPJMESA-N 0 3 478.663 2.502 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccnc2)C(C)C)CC1 ZINC001287751643 1063078168 /nfs/dbraw/zinc/07/81/68/1063078168.db2.gz YCQLYXSEJLWHGD-TZIWHRDSSA-N 0 3 477.679 2.501 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001287751650 1063078480 /nfs/dbraw/zinc/07/84/80/1063078480.db2.gz YCRPHENRZOLGSR-HOYKHHGWSA-N 0 3 458.582 2.814 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001287751659 1063078917 /nfs/dbraw/zinc/07/89/17/1063078917.db2.gz YCRPHENRZOLGSR-UUOWRZLLSA-N 0 3 458.582 2.814 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001287752261 1063080214 /nfs/dbraw/zinc/08/02/14/1063080214.db2.gz WUBGGFBIAAVXEB-VQTJNVASSA-N 0 3 475.659 2.942 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001287767980 1063092874 /nfs/dbraw/zinc/09/28/74/1063092874.db2.gz IMYWATSJQLHZFG-SLFFLAALSA-N 0 3 489.665 2.653 20 0 JFADHN CCN(CC(C)C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001295273701 1063108025 /nfs/dbraw/zinc/10/80/25/1063108025.db2.gz RTRJGRFMUIZFTN-UHFFFAOYSA-N 0 3 456.635 2.904 20 0 JFADHN C[C@@H]1CCCN(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CCC2CCOCC2)C1 ZINC001291126963 1063157910 /nfs/dbraw/zinc/15/79/10/1063157910.db2.gz WKZHGPLOIVBTIO-LJQANCHMSA-N 0 3 455.607 2.910 20 0 JFADHN CCN(CC)C(=O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)N(CC)C[C@H]2C)cc1 ZINC001295303092 1063161924 /nfs/dbraw/zinc/16/19/24/1063161924.db2.gz QNXZEDIYVJWZBH-LEWJYISDSA-N 0 3 495.672 2.963 20 0 JFADHN CCN(CC)C(=O)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001295307329 1063174474 /nfs/dbraw/zinc/17/44/74/1063174474.db2.gz JTGQJYGTBCVXFX-UHFFFAOYSA-N 0 3 475.682 2.721 20 0 JFADHN C[C@@H]1CCCN1c1nnc(COc2ccc(F)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291135821 1063188982 /nfs/dbraw/zinc/18/89/82/1063188982.db2.gz KPECHQIBXVEDCD-NQIIRXRSSA-N 0 3 458.582 2.928 20 0 JFADHN C[C@H]1CCCN1c1nnc(COc2ccc(F)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291135822 1063189000 /nfs/dbraw/zinc/18/90/00/1063189000.db2.gz KPECHQIBXVEDCD-RXVVDRJESA-N 0 3 458.582 2.928 20 0 JFADHN C[C@H]1CCCN1CCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001291136390 1063192068 /nfs/dbraw/zinc/19/20/68/1063192068.db2.gz VVHUBUMWQVTVCK-KRWDZBQOSA-N 0 3 474.009 2.727 20 0 JFADHN C[C@H]1CCCN1CCn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)CC1 ZINC001291137147 1063194425 /nfs/dbraw/zinc/19/44/25/1063194425.db2.gz LLEZVSDUSACLMW-ZDUSSCGKSA-N 0 3 458.451 2.822 20 0 JFADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC001295323768 1063206969 /nfs/dbraw/zinc/20/69/69/1063206969.db2.gz TVUXQSSIOYCAIJ-AEFFLSMTSA-N 0 3 459.597 2.697 20 0 JFADHN CCN(CC)C(=O)CCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001295323446 1063207222 /nfs/dbraw/zinc/20/72/22/1063207222.db2.gz FPLQZPTXZKECRE-RTWAWAEBSA-N 0 3 476.666 2.510 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H](C)N1CCC(C)CC1 ZINC001291140670 1063210825 /nfs/dbraw/zinc/21/08/25/1063210825.db2.gz BYOBPLQQQBPZSL-PMACEKPBSA-N 0 3 491.681 2.982 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCO[C@H](COc3ccccc3)C2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001291140959 1063212499 /nfs/dbraw/zinc/21/24/99/1063212499.db2.gz HANNVJOSHSELOE-GGAORHGYSA-N 0 3 484.645 2.821 20 0 JFADHN C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)N1CCC(C)CC1 ZINC001291140985 1063212847 /nfs/dbraw/zinc/21/28/47/1063212847.db2.gz HMGNZJOLTABGLI-HXUWFJFHSA-N 0 3 496.660 2.741 20 0 JFADHN CCN(CC)C(=O)CN1CCCN(c2nnc(C(C)C)n2C[C@H](c2ccco2)N(C)C)CC1 ZINC001295328970 1063227771 /nfs/dbraw/zinc/22/77/71/1063227771.db2.gz NQPJLZHRNAIVAG-HXUWFJFHSA-N 0 3 459.639 2.678 20 0 JFADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C2=NO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001295342271 1063270325 /nfs/dbraw/zinc/27/03/25/1063270325.db2.gz JCNKUQDZGLGNPH-XDHUDOTRSA-N 0 3 457.575 2.879 20 0 JFADHN CC1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001291180394 1063272470 /nfs/dbraw/zinc/27/24/70/1063272470.db2.gz ASANVKKTVRLENW-RBUKOAKNSA-N 0 3 455.694 2.634 20 0 JFADHN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC(C)CC1 ZINC001291181486 1063275249 /nfs/dbraw/zinc/27/52/49/1063275249.db2.gz JGZHMOSWSVDREA-SFHVURJKSA-N 0 3 477.631 2.665 20 0 JFADHN CC1CCN(CCCn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001291182524 1063277995 /nfs/dbraw/zinc/27/79/95/1063277995.db2.gz PTLLYUWKLSJXQW-WOJBJXKFSA-N 0 3 453.653 2.655 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001295365317 1063327854 /nfs/dbraw/zinc/32/78/54/1063327854.db2.gz GXLSTPVCXSIVGM-QUCCMNQESA-N 0 3 485.658 2.806 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001295367665 1063333189 /nfs/dbraw/zinc/33/31/89/1063333189.db2.gz ZFILHAWGLQKNPT-IIBYNOLFSA-N 0 3 467.039 2.739 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001295387573 1063364793 /nfs/dbraw/zinc/36/47/93/1063364793.db2.gz GGLSECCOHYPKBE-ICSRJNTNSA-N 0 3 463.648 2.621 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(CSc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 ZINC001295389747 1063367821 /nfs/dbraw/zinc/36/78/21/1063367821.db2.gz GVQXTEDIVWEGIG-QGZVFWFLSA-N 0 3 467.661 2.544 20 0 JFADHN CCN(CC)[C@H](Cn1c(C(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)c1ccco1 ZINC001295391700 1063375705 /nfs/dbraw/zinc/37/57/05/1063375705.db2.gz HEIRBXGTAFQCIZ-UYAOXDASSA-N 0 3 471.606 2.844 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001295391975 1063376370 /nfs/dbraw/zinc/37/63/70/1063376370.db2.gz ZUGRBOBOPSJPEW-XLIONFOSSA-N 0 3 467.611 2.740 20 0 JFADHN Cc1cc(C(=O)N2CCN(C3CCCCC3)CC2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC001295393389 1063379530 /nfs/dbraw/zinc/37/95/30/1063379530.db2.gz DWERFNLKAQOXLM-UHFFFAOYSA-N 0 3 458.628 2.891 20 0 JFADHN CCN(CC)[C@@H](Cn1c(C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1)c1ccsc1 ZINC001295395907 1063382302 /nfs/dbraw/zinc/38/23/02/1063382302.db2.gz ANCLUWGDDZHVMG-UTKZUKDTSA-N 0 3 459.664 2.520 20 0 JFADHN CCN(CC)[C@H](Cn1c(-c2ccccc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)c1ccco1 ZINC001295397402 1063383715 /nfs/dbraw/zinc/38/37/15/1063383715.db2.gz MSLPILSVICQDMZ-NJDAHSKKSA-N 0 3 467.570 2.981 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cnccn1)c1ccsc1 ZINC001295398011 1063384832 /nfs/dbraw/zinc/38/48/32/1063384832.db2.gz AGWAZIFGIMJRTJ-RBUKOAKNSA-N 0 3 454.604 2.800 20 0 JFADHN CCN(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)c1ccco1 ZINC001295399547 1063386278 /nfs/dbraw/zinc/38/62/78/1063386278.db2.gz XKOPUDDLXXYFRY-GUDVDZBRSA-N 0 3 471.558 2.883 20 0 JFADHN CCN(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)CC1)c1ccsc1 ZINC001295404622 1063391058 /nfs/dbraw/zinc/39/10/58/1063391058.db2.gz LNCAVXYXMAVJIJ-FQEVSTJZSA-N 0 3 470.647 2.611 20 0 JFADHN C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCOCC2)C[C@@H](C)S1 ZINC001291215129 1063421884 /nfs/dbraw/zinc/42/18/84/1063421884.db2.gz KBHCWSREVZMBBT-QZTJIDSGSA-N 0 3 493.699 2.790 20 0 JFADHN CC(C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001291215509 1063427002 /nfs/dbraw/zinc/42/70/02/1063427002.db2.gz QJHCHTXTXZPCMZ-LAUBAEHRSA-N 0 3 461.632 2.693 20 0 JFADHN CC(C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC001291215511 1063427086 /nfs/dbraw/zinc/42/70/86/1063427086.db2.gz QJHCHTXTXZPCMZ-UWJYYQICSA-N 0 3 461.632 2.693 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001295480845 1063491503 /nfs/dbraw/zinc/49/15/03/1063491503.db2.gz PMQJQUINAVTZFL-UHFFFAOYSA-N 0 3 456.635 2.668 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2C[C@H](C)OC)CC1 ZINC001295481009 1063491635 /nfs/dbraw/zinc/49/16/35/1063491635.db2.gz RLUUXWYBIGNUPK-FQEVSTJZSA-N 0 3 479.629 2.827 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)OC)CC1 ZINC001295482280 1063498935 /nfs/dbraw/zinc/49/89/35/1063498935.db2.gz HUBKGYFJQJAFTE-QGZVFWFLSA-N 0 3 493.450 2.733 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCC[C@H]2OC)CC1 ZINC001295482362 1063500493 /nfs/dbraw/zinc/50/04/93/1063500493.db2.gz LLTBXGJVPPANKE-RBBKRZOGSA-N 0 3 484.645 2.759 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(F)c(F)c2)CC1 ZINC001295482453 1063501572 /nfs/dbraw/zinc/50/15/72/1063501572.db2.gz OUGGHLOQYXNIRI-UHFFFAOYSA-N 0 3 471.556 2.601 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC(C)C)CC1 ZINC001295482540 1063502311 /nfs/dbraw/zinc/50/23/11/1063502311.db2.gz SGGZRWHZGUZQCA-UHFFFAOYSA-N 0 3 456.591 2.710 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2c(C)noc2C)CC1 ZINC001295482537 1063502337 /nfs/dbraw/zinc/50/23/37/1063502337.db2.gz SFXDOCBFDKJDIR-UHFFFAOYSA-N 0 3 481.601 2.597 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001295484381 1063510523 /nfs/dbraw/zinc/51/05/23/1063510523.db2.gz MWXLZERLYVKOQP-XPNTWCBSSA-N 0 3 490.693 2.614 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCC(F)(F)CC2)CC1 ZINC001295484979 1063513785 /nfs/dbraw/zinc/51/37/85/1063513785.db2.gz RZQWQQOZWHBYEF-FQEVSTJZSA-N 0 3 482.620 2.988 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CCc2sc(C)nc2C)CC1 ZINC001295485464 1063514362 /nfs/dbraw/zinc/51/43/62/1063514362.db2.gz WXGYKMACEBCNNB-HXUWFJFHSA-N 0 3 489.690 2.826 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccccc2OC(C)C)CC1 ZINC001295485844 1063515154 /nfs/dbraw/zinc/51/51/54/1063515154.db2.gz ZBNYOWYPEIRPLQ-HSZRJFAPSA-N 0 3 498.672 2.998 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2nccs2)CC1 ZINC001295491014 1063520618 /nfs/dbraw/zinc/52/06/18/1063520618.db2.gz MRPPDWRUBCXMAS-UHFFFAOYSA-N 0 3 489.596 2.642 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001295491071 1063521266 /nfs/dbraw/zinc/52/12/66/1063521266.db2.gz PCAKJQNMXIDWNE-UHFFFAOYSA-N 0 3 493.603 2.902 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(F)cc2F)CC1 ZINC001295491055 1063521329 /nfs/dbraw/zinc/52/13/29/1063521329.db2.gz OJCIBUVCCMQPFK-UHFFFAOYSA-N 0 3 483.567 2.581 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2CCc2c(F)cccc2F)CC1 ZINC001295491158 1063521660 /nfs/dbraw/zinc/52/16/60/1063521660.db2.gz QBQQAHPICYJGGH-UHFFFAOYSA-N 0 3 462.589 2.988 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CC2(SC)CC2)CC1 ZINC001295491080 1063521919 /nfs/dbraw/zinc/52/19/19/1063521919.db2.gz PGLLBHCKZUTZFN-UHFFFAOYSA-N 0 3 477.704 2.520 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 ZINC001295491580 1063523123 /nfs/dbraw/zinc/52/31/23/1063523123.db2.gz VEWOWFIVAUGPEX-PKTZIBPZSA-N 0 3 498.672 2.971 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001295491581 1063523541 /nfs/dbraw/zinc/52/35/41/1063523541.db2.gz VEWOWFIVAUGPEX-XZOQPEGZSA-N 0 3 498.672 2.971 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)c2c(C)noc2C)CC1 ZINC001295491906 1063525443 /nfs/dbraw/zinc/52/54/43/1063525443.db2.gz ZKSCATCEYWRGCC-FXAWDEMLSA-N 0 3 473.622 2.529 20 0 JFADHN CC[NH+](CC)CCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001295542527 1063577219 /nfs/dbraw/zinc/57/72/19/1063577219.db2.gz BZSAKSAUQNVEIB-OAQYLSRUSA-N 0 3 456.591 2.530 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)(=O)CC1 ZINC001295554635 1063588923 /nfs/dbraw/zinc/58/89/23/1063588923.db2.gz YAYXJKFFBBJCLL-CYBMUJFWSA-N 0 3 476.466 2.734 20 0 JFADHN C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC001291285325 1063626148 /nfs/dbraw/zinc/62/61/48/1063626148.db2.gz OXSCKSAYFJHBRA-YUMYIRISSA-N 0 3 490.693 2.755 20 0 JFADHN C[C@H]1CN(CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS(=O)CC2)CCCO1 ZINC001291287939 1063645017 /nfs/dbraw/zinc/64/50/17/1063645017.db2.gz KKHOSEUUFWEIDY-KRWDZBQOSA-N 0 3 483.585 2.616 20 0 JFADHN CCN(Cc1cnn(C)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1N(C)CCCC1(C)C ZINC001295646812 1063688396 /nfs/dbraw/zinc/68/83/96/1063688396.db2.gz MNLFQSOWFDBSAL-LJQANCHMSA-N 0 3 465.606 2.806 20 0 JFADHN C[C@H]1COCCN1CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001291306587 1063718453 /nfs/dbraw/zinc/71/84/53/1063718453.db2.gz BYFRQOCRQAGERG-KRWDZBQOSA-N 0 3 494.482 2.687 20 0 JFADHN C[C@@H]1COCCN1CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001291306588 1063718603 /nfs/dbraw/zinc/71/86/03/1063718603.db2.gz BYFRQOCRQAGERG-QGZVFWFLSA-N 0 3 494.482 2.687 20 0 JFADHN C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001291322894 1063768367 /nfs/dbraw/zinc/76/83/67/1063768367.db2.gz BVAQSJDMRNVIEK-UZUQRXQVSA-N 0 3 464.010 2.971 20 0 JFADHN CCC(=O)N[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CC=CCC2)C1 ZINC001291336427 1063799884 /nfs/dbraw/zinc/79/98/84/1063799884.db2.gz ICDOEVSRRBJJHL-KRWDZBQOSA-N 0 3 476.423 2.793 20 0 JFADHN CCN(CCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(C)(C)C)CC1)S(C)(=O)=O ZINC001295815334 1063817812 /nfs/dbraw/zinc/81/78/12/1063817812.db2.gz GVERETUUVHOYPT-UHFFFAOYSA-N 0 3 496.653 2.588 20 0 JFADHN CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001291343244 1063828275 /nfs/dbraw/zinc/82/82/75/1063828275.db2.gz JDVGAUZPGFAUMC-HMXCVIKNSA-N 0 3 458.582 2.719 20 0 JFADHN CCN(CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001295824892 1063832687 /nfs/dbraw/zinc/83/26/87/1063832687.db2.gz KHIFVWAEGIZKFR-NRFANRHFSA-N 0 3 479.647 2.706 20 0 JFADHN CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(N)=O)C1)CCC(F)(F)F ZINC001295830648 1063844962 /nfs/dbraw/zinc/84/49/62/1063844962.db2.gz QPXVGBZITOUCHI-OAHLLOKOSA-N 0 3 473.931 2.970 20 0 JFADHN CCN(CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](COC)C1)CCC(F)(F)F ZINC001295834148 1063849948 /nfs/dbraw/zinc/84/99/48/1063849948.db2.gz RBHQUZVKTJNBNV-QGZVFWFLSA-N 0 3 485.507 2.800 20 0 JFADHN CC[C@](C)(O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001291361000 1063873099 /nfs/dbraw/zinc/87/30/99/1063873099.db2.gz DULDBKZALYDVAY-QHCPKHFHSA-N 0 3 477.679 2.628 20 0 JFADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)C(C)C ZINC001295852679 1063877789 /nfs/dbraw/zinc/87/77/89/1063877789.db2.gz KYQDABZSJREJGL-GOSISDBHSA-N 0 3 496.628 2.515 20 0 JFADHN CCN(CCn1c(Cc2ccccc2C)nnc1N1CCN2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001295854850 1063883415 /nfs/dbraw/zinc/88/34/15/1063883415.db2.gz KTQOUOUNBVAVQB-NRFANRHFSA-N 0 3 480.579 2.972 20 0 JFADHN CCN(CCn1c(Cc2ccccc2C)nnc1N1CCN2CCOC[C@H]2C1)CCC(F)(F)F ZINC001295854851 1063883842 /nfs/dbraw/zinc/88/38/42/1063883842.db2.gz KTQOUOUNBVAVQB-OAQYLSRUSA-N 0 3 480.579 2.972 20 0 JFADHN CCN(CCn1c(Cc2c(F)cccc2F)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC001295855576 1063885847 /nfs/dbraw/zinc/88/58/47/1063885847.db2.gz RPAQSOFFXJBAAE-QGZVFWFLSA-N 0 3 469.602 2.891 20 0 JFADHN CCN(CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)C(C)C ZINC001295866115 1063899576 /nfs/dbraw/zinc/89/95/76/1063899576.db2.gz UROLUYBSZZBWDD-HSZRJFAPSA-N 0 3 479.622 2.742 20 0 JFADHN CCN(CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)N(CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC001295867558 1063902811 /nfs/dbraw/zinc/90/28/11/1063902811.db2.gz VIISKUVMIPHRBQ-RBUKOAKNSA-N 0 3 477.654 2.576 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN(C(C)C)C1 ZINC001295873341 1063910522 /nfs/dbraw/zinc/91/05/22/1063910522.db2.gz GGRNJUIJPUFBRA-IBGZPJMESA-N 0 3 463.648 2.945 20 0 JFADHN CC[C@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001291379171 1063913710 /nfs/dbraw/zinc/91/37/10/1063913710.db2.gz VCRZKUBNVIGTBE-BWKNWUBXSA-N 0 3 474.625 2.762 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCN(C(C)C)C1 ZINC001295886416 1063933726 /nfs/dbraw/zinc/93/37/26/1063933726.db2.gz OSAOFFCSHHJMOO-HXUWFJFHSA-N 0 3 465.639 2.999 20 0 JFADHN CC[C@H](C)[C@H](Cn1c(C2CCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1)OC ZINC001291418611 1063997885 /nfs/dbraw/zinc/99/78/85/1063997885.db2.gz ZXEZVJPVGYNZEO-YDLSIGKMSA-N 0 3 460.667 2.986 20 0 JFADHN CC[C@@H](C)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CCC(=O)NC(C)(C)C ZINC001291434300 1064014835 /nfs/dbraw/zinc/01/48/35/1064014835.db2.gz MCMXDXAGWGLUNS-LJQANCHMSA-N 0 3 458.655 2.894 20 0 JFADHN CC[C@@H](C)c1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001291434712 1064015433 /nfs/dbraw/zinc/01/54/33/1064015433.db2.gz RZPHXKNGNXTAIL-NHCUHLMSSA-N 0 3 469.682 2.713 20 0 JFADHN CC[C@@H](C)c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@H](c1ccccc1OC)N1CCCC1 ZINC001291436127 1064017138 /nfs/dbraw/zinc/01/71/38/1064017138.db2.gz PKQPJAVWOXNNDV-IFMALSPDSA-N 0 3 484.645 2.932 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001295977316 1064023358 /nfs/dbraw/zinc/02/33/58/1064023358.db2.gz KDKZQANHOCOHOM-SJORKVTESA-N 0 3 480.548 2.622 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](F)COC)C[C@H]1C ZINC001295977325 1064023415 /nfs/dbraw/zinc/02/34/15/1064023415.db2.gz KERHOWAPXOVGOA-JTDSTZFVSA-N 0 3 466.989 2.765 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(C)nc2)C[C@@H]1C ZINC001295977590 1064023914 /nfs/dbraw/zinc/02/39/14/1064023914.db2.gz OTTYQWRDNIKROX-PMACEKPBSA-N 0 3 497.669 2.866 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(C)(C)O)c2)C[C@H]1C ZINC001295977507 1064023950 /nfs/dbraw/zinc/02/39/50/1064023950.db2.gz LGUMVHGXRBPWIX-RTBURBONSA-N 0 3 454.619 2.709 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CSCCS2)C[C@H]1C ZINC001295977879 1064024544 /nfs/dbraw/zinc/02/45/44/1064024544.db2.gz LYIMZWPFTCGQLR-IXDOHACOSA-N 0 3 461.661 2.693 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)N(C)C)C[C@@H]1C ZINC001295977872 1064025053 /nfs/dbraw/zinc/02/50/53/1064025053.db2.gz QHKGHFWRVGQICH-GJZGRUSLSA-N 0 3 466.428 2.823 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(C)(C)O)C[C@@H]1C ZINC001295978753 1064026165 /nfs/dbraw/zinc/02/61/65/1064026165.db2.gz LAFSFCZCLRCMLX-IRXDYDNUSA-N 0 3 477.679 2.627 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)C(C)C)C[C@H]1C ZINC001295978842 1064026992 /nfs/dbraw/zinc/02/69/92/1064026992.db2.gz TYGWXUYTTQGGAL-IEGUWTFLSA-N 0 3 463.648 2.675 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CCOCc2ccc(OC)cc2)C[C@@H]1C ZINC001295978800 1064027044 /nfs/dbraw/zinc/02/70/44/1064027044.db2.gz NOKONQYLABHLDF-OALUTQOASA-N 0 3 458.607 2.561 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2CCOCc2ccc(OC)cc2)C[C@H]1C ZINC001295978806 1064027211 /nfs/dbraw/zinc/02/72/11/1064027211.db2.gz NOKONQYLABHLDF-RTBURBONSA-N 0 3 458.607 2.561 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1ncccc1C ZINC001291470312 1064031075 /nfs/dbraw/zinc/03/10/75/1064031075.db2.gz OETYNTBNONFPBI-NOXFTYBFSA-N 0 3 453.635 2.922 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3cc(C)ccc23)C[C@H]1C ZINC001295980714 1064031683 /nfs/dbraw/zinc/03/16/83/1064031683.db2.gz PRZBTTOQBBNWPV-QYZOEREBSA-N 0 3 487.674 2.840 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C ZINC001295981458 1064032251 /nfs/dbraw/zinc/03/22/51/1064032251.db2.gz ACTDTPWPTCHGHR-DLBZAZTESA-N 0 3 455.994 2.968 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CC1(C)CCOCC1 ZINC001291471094 1064033442 /nfs/dbraw/zinc/03/34/42/1064033442.db2.gz YWPJVZTVBLRQJC-VWPQPMDRSA-N 0 3 460.667 2.987 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)c2ccc(C)s2)C[C@H]1C ZINC001295982145 1064034219 /nfs/dbraw/zinc/03/42/19/1064034219.db2.gz WKBPQGSGTJRQHI-HZPDHXFCSA-N 0 3 468.693 2.843 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2cc(C)oc2C)C[C@H]1C ZINC001295982249 1064034696 /nfs/dbraw/zinc/03/46/96/1064034696.db2.gz WWSWNOCXGBVQTF-XVTZWQNCSA-N 0 3 458.607 2.551 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(O)CCOC2)C[C@@H]1C ZINC001295983091 1064037602 /nfs/dbraw/zinc/03/76/02/1064037602.db2.gz HFZYMLCBRIFVBN-GXZWQRSESA-N 0 3 482.398 2.917 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(O)CCOC2)C[C@@H]1C ZINC001295983096 1064037707 /nfs/dbraw/zinc/03/77/07/1064037707.db2.gz HFZYMLCBRIFVBN-VFCRVFHLSA-N 0 3 482.398 2.917 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)s2)C[C@@H]1C ZINC001295983533 1064039448 /nfs/dbraw/zinc/03/94/48/1064039448.db2.gz WTQIUMDBCUNFGW-KKUMJFAQSA-N 0 3 475.084 2.765 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)N2CCOCC2)C[C@H]1C ZINC001295984094 1064040723 /nfs/dbraw/zinc/04/07/23/1064040723.db2.gz KXJUAFBWTIELQW-AQNXPRMDSA-N 0 3 472.634 2.602 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@](C)(O)CC)C[C@@H]1C ZINC001295984522 1064042386 /nfs/dbraw/zinc/04/23/86/1064042386.db2.gz ZEIFHNMETIPCJR-HKARXFIJSA-N 0 3 477.679 2.627 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cc(C)nn2C)C[C@@H]1C ZINC001295987170 1064043416 /nfs/dbraw/zinc/04/34/16/1064043416.db2.gz YXAMCTFPTYBICI-ZWKOTPCHSA-N 0 3 453.591 2.971 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3noc4c3COCC4)n2CCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001295991199 1064045865 /nfs/dbraw/zinc/04/58/65/1064045865.db2.gz AKKGORHZPLXMSJ-IRXDYDNUSA-N 0 3 489.621 2.840 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2c(OC)cc(OC)cc2OC)C[C@@H]1C ZINC001295992738 1064047251 /nfs/dbraw/zinc/04/72/51/1064047251.db2.gz FNIKRIOPJRCEKO-ROUUACIJSA-N 0 3 483.617 2.866 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2c(OC)cc(OC)cc2OC)C[C@H]1C ZINC001295992736 1064047282 /nfs/dbraw/zinc/04/72/82/1064047282.db2.gz FNIKRIOPJRCEKO-MSOLQXFVSA-N 0 3 483.617 2.866 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001295993214 1064047822 /nfs/dbraw/zinc/04/78/22/1064047822.db2.gz GYLMURCTDTVQHS-CMKODMSKSA-N 0 3 472.638 2.997 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001295993212 1064047894 /nfs/dbraw/zinc/04/78/94/1064047894.db2.gz GYLMURCTDTVQHS-BJLQDIEVSA-N 0 3 472.638 2.997 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001295993524 1064049206 /nfs/dbraw/zinc/04/92/06/1064049206.db2.gz IJRYMAOWPSTXNQ-IRXDYDNUSA-N 0 3 456.595 2.949 20 0 JFADHN CCN(CCCn1c(-c2ccccc2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)S(C)(=O)=O ZINC001295994666 1064050709 /nfs/dbraw/zinc/05/07/09/1064050709.db2.gz VURZKUFIVWVXCQ-PMACEKPBSA-N 0 3 462.664 2.844 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2CCCn2cnnn2)C[C@@H]1C ZINC001295995187 1064051202 /nfs/dbraw/zinc/05/12/02/1064051202.db2.gz XPZYOUDDWQOGLR-HOTGVXAUSA-N 0 3 474.411 2.703 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CCSCCCO)C[C@H]1C ZINC001295996136 1064052220 /nfs/dbraw/zinc/05/22/20/1064052220.db2.gz MKTXNJGKWCMDDK-RTBURBONSA-N 0 3 499.685 2.709 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCOC3)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@@H]1C ZINC001295996488 1064052708 /nfs/dbraw/zinc/05/27/08/1064052708.db2.gz LIUBDGWNSNAECO-LNLFQRSKSA-N 0 3 459.591 2.775 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOC)C[C@@H]1C ZINC001295996943 1064053186 /nfs/dbraw/zinc/05/31/86/1064053186.db2.gz NSYVTKFXVRWOEK-ROUUACIJSA-N 0 3 450.628 2.958 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001295998187 1064055211 /nfs/dbraw/zinc/05/52/11/1064055211.db2.gz TWFFRMBVFIKFLU-ROUUACIJSA-N 0 3 460.627 2.902 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001295998188 1064055334 /nfs/dbraw/zinc/05/53/34/1064055334.db2.gz TWFFRMBVFIKFLU-ZWKOTPCHSA-N 0 3 460.627 2.902 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C ZINC001295998660 1064055741 /nfs/dbraw/zinc/05/57/41/1064055741.db2.gz XRUFSYRSGKBETI-UFYCRDLUSA-N 0 3 491.658 2.574 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C[C@@H]1C ZINC001296002736 1064057955 /nfs/dbraw/zinc/05/79/55/1064057955.db2.gz NSDYXNNRXZPDMM-ZJOUEHCJSA-N 0 3 495.594 2.836 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2CCN2CCOC(C)(C)C2)C[C@H]1C ZINC001296003319 1064058313 /nfs/dbraw/zinc/05/83/13/1064058313.db2.gz SUXYLFBYIHHJJC-RTWAWAEBSA-N 0 3 470.662 2.907 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)nc2OC)C[C@H]1C ZINC001296003663 1064058993 /nfs/dbraw/zinc/05/89/93/1064058993.db2.gz VHXROIAJGRGEDF-QZTJIDSGSA-N 0 3 451.575 2.643 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001296007635 1064061373 /nfs/dbraw/zinc/06/13/73/1064061373.db2.gz FILVQVXZZJCZOS-RTBURBONSA-N 0 3 466.634 2.598 20 0 JFADHN CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1Cc1ncccc1N(C)C ZINC001291510522 1064062383 /nfs/dbraw/zinc/06/23/83/1064062383.db2.gz XLQUUHJCAXIGBU-SFTDATJTSA-N 0 3 454.667 2.906 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3cccc(C)c3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001296009603 1064065307 /nfs/dbraw/zinc/06/53/07/1064065307.db2.gz HDSIVMFPBWTKHX-WOJBJXKFSA-N 0 3 475.659 2.909 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001296009928 1064067648 /nfs/dbraw/zinc/06/76/48/1064067648.db2.gz NVBDUFSHGDYFGY-XQBPLPMBSA-N 0 3 475.707 2.910 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCn2ccnn2)C[C@H]1C ZINC001296010276 1064067942 /nfs/dbraw/zinc/06/79/42/1064067942.db2.gz AZXKJZCIWAKMOT-WTGUMLROSA-N 0 3 487.653 2.650 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCC(Nc3cccnn3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291514641 1064067959 /nfs/dbraw/zinc/06/79/59/1064067959.db2.gz WSKHFEGCKFUUOJ-CTNGQTDRSA-N 0 3 483.665 2.605 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCn2ccnn2)C[C@@H]1C ZINC001296010274 1064068012 /nfs/dbraw/zinc/06/80/12/1064068012.db2.gz AZXKJZCIWAKMOT-LWYYNNOASA-N 0 3 487.653 2.650 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CCN2CCSCC2)C[C@H]1C ZINC001296010349 1064068063 /nfs/dbraw/zinc/06/80/63/1064068063.db2.gz BIOUQXKKSRWIGD-MOPGFXCFSA-N 0 3 462.639 2.964 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296011208 1064070179 /nfs/dbraw/zinc/07/01/79/1064070179.db2.gz UIVMAMFYJYYXCW-HZPDHXFCSA-N 0 3 459.545 2.650 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001296011210 1064070526 /nfs/dbraw/zinc/07/05/26/1064070526.db2.gz UIVMAMFYJYYXCW-JKSUJKDBSA-N 0 3 459.545 2.650 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCOC[C@@H]2CCOC2)C[C@H]1C ZINC001296011685 1064071539 /nfs/dbraw/zinc/07/15/39/1064071539.db2.gz QEZKSDQBFJJOFF-FSSWDIPSSA-N 0 3 459.639 2.502 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCC(=O)N(C)C)c2)C[C@H]1C ZINC001296012330 1064072630 /nfs/dbraw/zinc/07/26/30/1064072630.db2.gz JTXVYQPSYNTKPF-XQBPLPMBSA-N 0 3 470.618 2.564 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2cccs2)C[C@@H]1C ZINC001296012573 1064073249 /nfs/dbraw/zinc/07/32/49/1064073249.db2.gz UAWAYJQVWWWMFD-OALUTQOASA-N 0 3 470.647 2.550 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)NC2CCCCC2)C[C@H]1C ZINC001296013619 1064074985 /nfs/dbraw/zinc/07/49/85/1064074985.db2.gz OIAVSHUQTYOLNI-UGTOYMOASA-N 0 3 476.666 2.760 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001296014520 1064075897 /nfs/dbraw/zinc/07/58/97/1064075897.db2.gz YCIVHOHWYKHTTD-MSOLQXFVSA-N 0 3 473.622 2.671 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NCc2ccccc2)C[C@H]1C ZINC001296015219 1064076863 /nfs/dbraw/zinc/07/68/63/1064076863.db2.gz ZVBQFGKTCVSMJK-YADHBBJMSA-N 0 3 478.645 2.765 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001296015228 1064077255 /nfs/dbraw/zinc/07/72/55/1064077255.db2.gz ZWFOXICTJOVXIO-ZJOUEHCJSA-N 0 3 454.619 2.999 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291541492 1064084435 /nfs/dbraw/zinc/08/44/35/1064084435.db2.gz GKLPMDHHLXJIQX-YUXAGFNASA-N 0 3 485.681 2.784 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001291542347 1064085376 /nfs/dbraw/zinc/08/53/76/1064085376.db2.gz PWOXPZMTSWRBPY-JQVVWYNYSA-N 0 3 457.671 2.867 20 0 JFADHN CCN1CC[C@@H](Cn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)CCS(=O)(=O)CC)C1 ZINC001296040812 1064100829 /nfs/dbraw/zinc/10/08/29/1064100829.db2.gz XAFGBBUXEFQXHT-GOSISDBHSA-N 0 3 471.631 2.548 20 0 JFADHN CC[N@@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC001296048623 1064108387 /nfs/dbraw/zinc/10/83/87/1064108387.db2.gz XKELZJFGIVOFKI-IBGZPJMESA-N 0 3 454.619 2.877 20 0 JFADHN CC[N@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC001296048623 1064108391 /nfs/dbraw/zinc/10/83/91/1064108391.db2.gz XKELZJFGIVOFKI-IBGZPJMESA-N 0 3 454.619 2.877 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1cccc(OC)c1 ZINC001291582973 1064115416 /nfs/dbraw/zinc/11/54/16/1064115416.db2.gz OOXNGLINTQPJIJ-FQEVSTJZSA-N 0 3 454.619 2.787 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)COC)CC2)n1C[C@H](c1ccccc1OC)N1CCCC1 ZINC001291583241 1064115782 /nfs/dbraw/zinc/11/57/82/1064115782.db2.gz QHTXQOVGAHTWIU-IFMALSPDSA-N 0 3 484.645 2.932 20 0 JFADHN CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001296055222 1064116697 /nfs/dbraw/zinc/11/66/97/1064116697.db2.gz FJHLQFRYVZTOCB-ZWKOTPCHSA-N 0 3 484.605 2.513 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1cn2ccc(C)cc2n1 ZINC001291583764 1064117214 /nfs/dbraw/zinc/11/72/14/1064117214.db2.gz WWSOWORQYKJPPZ-FQEVSTJZSA-N 0 3 466.634 2.786 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001291583981 1064117459 /nfs/dbraw/zinc/11/74/59/1064117459.db2.gz XORVXRVMGPTQEC-VQTJNVASSA-N 0 3 491.681 2.697 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1CCn1c2ccccc2[nH]c1=O ZINC001291583987 1064118107 /nfs/dbraw/zinc/11/81/07/1064118107.db2.gz XRNPGJJPJJKWPB-IBGZPJMESA-N 0 3 482.633 2.538 20 0 JFADHN CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001296057147 1064118530 /nfs/dbraw/zinc/11/85/30/1064118530.db2.gz RWVRQRZKSVAPEZ-RTBURBONSA-N 0 3 477.654 2.642 20 0 JFADHN CCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001296057145 1064118538 /nfs/dbraw/zinc/11/85/38/1064118538.db2.gz RWVRQRZKSVAPEZ-OALUTQOASA-N 0 3 477.654 2.642 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001291598764 1064133831 /nfs/dbraw/zinc/13/38/31/1064133831.db2.gz CTCDAPQKAGIESS-VWPQPMDRSA-N 0 3 454.619 2.750 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](COc2ccccc2)C1 ZINC001296079411 1064146575 /nfs/dbraw/zinc/14/65/75/1064146575.db2.gz FXFREUPRBWPKSY-UNMCSNQZSA-N 0 3 470.618 2.575 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C)C1 ZINC001296080577 1064147526 /nfs/dbraw/zinc/14/75/26/1064147526.db2.gz MTGPNYKJLPWPGS-XLIONFOSSA-N 0 3 461.010 2.961 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(c3ccc(F)cn3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001291610787 1064148293 /nfs/dbraw/zinc/14/82/93/1064148293.db2.gz PRSWLYBBFOGAQQ-PMACEKPBSA-N 0 3 458.630 2.678 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001291620568 1064159903 /nfs/dbraw/zinc/15/99/03/1064159903.db2.gz KHWAOXKKHSISMM-LJQANCHMSA-N 0 3 454.619 2.843 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001291620881 1064160407 /nfs/dbraw/zinc/16/04/07/1064160407.db2.gz LKKHYJAJDKWFRO-HXUWFJFHSA-N 0 3 459.683 2.799 20 0 JFADHN CCN1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1=O ZINC001296096323 1064170141 /nfs/dbraw/zinc/17/01/41/1064170141.db2.gz NOWCSTAXJDOJHC-QFIPXVFZSA-N 0 3 468.646 2.925 20 0 JFADHN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC001291635623 1064184202 /nfs/dbraw/zinc/18/42/02/1064184202.db2.gz USCFNNJXUDBQKE-ZBFHGGJFSA-N 0 3 452.495 2.946 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001291637701 1064185192 /nfs/dbraw/zinc/18/51/92/1064185192.db2.gz BRBBHICQGQNWAE-UYAOXDASSA-N 0 3 488.599 2.603 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(Cc3cscn3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291639042 1064186825 /nfs/dbraw/zinc/18/68/25/1064186825.db2.gz OVGAZYWHTOASTP-TZIWHRDSSA-N 0 3 488.706 2.513 20 0 JFADHN CC(=O)N[C@@H](CC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)c1ccc(F)cc1F ZINC001291640647 1064190174 /nfs/dbraw/zinc/19/01/74/1064190174.db2.gz HPFQZKJUJRABDT-QFIPXVFZSA-N 0 3 458.509 2.868 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(CCOC)[C@H](C)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 ZINC001291642590 1064192359 /nfs/dbraw/zinc/19/23/59/1064192359.db2.gz LPUHSATYTUDIJA-FGZHOGPDSA-N 0 3 484.693 2.534 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001296120120 1064208172 /nfs/dbraw/zinc/20/81/72/1064208172.db2.gz FDPFJNAHVSPNBC-WOJBJXKFSA-N 0 3 486.661 2.992 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296120335 1064209397 /nfs/dbraw/zinc/20/93/97/1064209397.db2.gz HNYITWJQNJBMIR-MIZPHKNDSA-N 0 3 456.635 2.841 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCN(c3ccc(Cl)cn3)CC2)CC1 ZINC001296121520 1064212676 /nfs/dbraw/zinc/21/26/76/1064212676.db2.gz PHRALWJEVPADTB-LJQANCHMSA-N 0 3 461.058 2.803 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(C)nc4ccccc43)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001296122892 1064215851 /nfs/dbraw/zinc/21/58/51/1064215851.db2.gz ZVXRMMPBXQMZEZ-PMACEKPBSA-N 0 3 478.645 2.528 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291679978 1064216213 /nfs/dbraw/zinc/21/62/13/1064216213.db2.gz BXPSYUPHPTVQPW-UXHICEINSA-N 0 3 478.707 2.837 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N(C)CCc2cnccn2)CC1 ZINC001296124561 1064217471 /nfs/dbraw/zinc/21/74/71/1064217471.db2.gz IHOJCYVXDGDTAH-IBGZPJMESA-N 0 3 452.582 2.579 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001296124804 1064217638 /nfs/dbraw/zinc/21/76/38/1064217638.db2.gz JDFYGJZAXQNPMJ-WOJBJXKFSA-N 0 3 486.661 2.992 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001296125579 1064219621 /nfs/dbraw/zinc/21/96/21/1064219621.db2.gz MYBIKTKXAZAAOL-GOSISDBHSA-N 0 3 474.053 2.587 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)CC(F)(F)F)CC1 ZINC001296126101 1064220105 /nfs/dbraw/zinc/22/01/05/1064220105.db2.gz PNXUHKCWFSRVLL-OAHLLOKOSA-N 0 3 454.497 2.698 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](CCOC)C2)CC1 ZINC001296126464 1064220734 /nfs/dbraw/zinc/22/07/34/1064220734.db2.gz QKPMUZBDWAGCID-RBUKOAKNSA-N 0 3 462.042 2.882 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CCCC(=O)NC)CC1 ZINC001296126840 1064220831 /nfs/dbraw/zinc/22/08/31/1064220831.db2.gz RWIZWZLBNPTKTF-GOSISDBHSA-N 0 3 462.042 2.587 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001296127625 1064221967 /nfs/dbraw/zinc/22/19/67/1064221967.db2.gz VQXHGYICBZJENI-HXUWFJFHSA-N 0 3 481.645 2.926 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001296130052 1064223799 /nfs/dbraw/zinc/22/37/99/1064223799.db2.gz BDGHESDDPJNPLB-GOSISDBHSA-N 0 3 454.648 2.691 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296130788 1064224080 /nfs/dbraw/zinc/22/40/80/1064224080.db2.gz FVWILAQCGXLBPA-QHAWAJNXSA-N 0 3 491.681 2.649 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296130786 1064224164 /nfs/dbraw/zinc/22/41/64/1064224164.db2.gz FVWILAQCGXLBPA-HKBOAZHASA-N 0 3 491.681 2.649 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CCOc2ccc(F)cc2)CC1 ZINC001296130808 1064224706 /nfs/dbraw/zinc/22/47/06/1064224706.db2.gz GMCLSZAXOGXBMS-LJQANCHMSA-N 0 3 455.582 2.954 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC001296131186 1064225161 /nfs/dbraw/zinc/22/51/61/1064225161.db2.gz HZBKQZPBYQEOET-OALUTQOASA-N 0 3 488.633 2.602 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(C)CC(F)(F)F)CC1 ZINC001296131380 1064225814 /nfs/dbraw/zinc/22/58/14/1064225814.db2.gz JNVZEMJOGJMWHM-HNNXBMFYSA-N 0 3 478.523 2.618 20 0 JFADHN 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CCN1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296134941 1064237995 /nfs/dbraw/zinc/23/79/95/1064237995.db2.gz TUHQUROUDRTMRG-WIOPSUGQSA-N 0 3 472.682 2.561 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(N3CC[C@H](C)[C@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296135000 1064238041 /nfs/dbraw/zinc/23/80/41/1064238041.db2.gz UMOKBNASRWIWMT-OUMCCJGNSA-N 0 3 462.683 2.827 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(N(C)Cc3ccco3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296135219 1064238814 /nfs/dbraw/zinc/23/88/14/1064238814.db2.gz XKCYAJFOAPBAEE-HYBUGGRVSA-N 0 3 460.623 2.574 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296135442 1064239170 /nfs/dbraw/zinc/23/91/70/1064239170.db2.gz YKDBSHGABLJDIO-CTNGQTDRSA-N 0 3 496.578 2.959 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC001296136125 1064240495 /nfs/dbraw/zinc/24/04/95/1064240495.db2.gz CYKOKYQDAWHFCL-GRZNZNQASA-N 0 3 474.675 2.529 20 0 JFADHN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001296135780 1064240596 /nfs/dbraw/zinc/24/05/96/1064240596.db2.gz BTKKPVDSTVDXHD-ZJSXRUAMSA-N 0 3 497.688 2.884 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)CCN(C)c2ccccc2)CC1 ZINC001296136334 1064241342 /nfs/dbraw/zinc/24/13/42/1064241342.db2.gz HPVHYZCPVPQWCI-FYYLOGMGSA-N 0 3 455.651 2.728 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001296136798 1064242705 /nfs/dbraw/zinc/24/27/05/1064242705.db2.gz LJPJMHLTRIGDJR-YPAWHYETSA-N 0 3 489.709 2.534 20 0 JFADHN CC[C@@H](C)N(C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291764420 1064245044 /nfs/dbraw/zinc/24/50/44/1064245044.db2.gz CPAHPLOBVYBTHJ-QGZVFWFLSA-N 0 3 479.647 2.706 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001296139034 1064246068 /nfs/dbraw/zinc/24/60/68/1064246068.db2.gz ZTTSGQTVQJXNTQ-KJJMTIBFSA-N 0 3 480.723 2.606 20 0 JFADHN CC[C@@H](C)N(C)CCn1c(-c2ccccc2Br)nnc1N1CCS(=O)(=O)CC1 ZINC001291768513 1064250809 /nfs/dbraw/zinc/25/08/09/1064250809.db2.gz XAVCXDSLNVRJOP-OAHLLOKOSA-N 0 3 470.437 2.673 20 0 JFADHN CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CC=CCC2)C[C@@H]1C ZINC001296143255 1064251978 /nfs/dbraw/zinc/25/19/78/1064251978.db2.gz HCTKDSUBPSIDMC-IBGZPJMESA-N 0 3 472.037 2.654 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 ZINC001291772832 1064256716 /nfs/dbraw/zinc/25/67/16/1064256716.db2.gz CQFUEQZBNGJLLI-SZMVWBNQSA-N 0 3 459.607 2.782 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001291773579 1064258843 /nfs/dbraw/zinc/25/88/43/1064258843.db2.gz HZDGYHXERNWEFC-NYUBLWNDSA-N 0 3 479.647 2.779 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001291773585 1064258870 /nfs/dbraw/zinc/25/88/70/1064258870.db2.gz HZDGYHXERNWEFC-UGNRZPKXSA-N 0 3 479.647 2.779 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)ccc1F ZINC001291775340 1064264515 /nfs/dbraw/zinc/26/45/15/1064264515.db2.gz WIFFHQFKDKQGBO-ROUUACIJSA-N 0 3 451.612 2.994 20 0 JFADHN CC[C@@H](C)N(C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001291775804 1064264938 /nfs/dbraw/zinc/26/49/38/1064264938.db2.gz ZQLPQOSHARDIQV-XMSQKQJNSA-N 0 3 491.658 2.924 20 0 JFADHN CC[C@H](C)N(C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001291778323 1064266330 /nfs/dbraw/zinc/26/63/30/1064266330.db2.gz HZQSFSPYGUZMBP-FXAWDEMLSA-N 0 3 451.612 2.752 20 0 JFADHN CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001291778409 1064266372 /nfs/dbraw/zinc/26/63/72/1064266372.db2.gz JHOWJNGERPAOKN-FQEVSTJZSA-N 0 3 477.613 2.662 20 0 JFADHN CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001291778409 1064266378 /nfs/dbraw/zinc/26/63/78/1064266378.db2.gz JHOWJNGERPAOKN-FQEVSTJZSA-N 0 3 477.613 2.662 20 0 JFADHN 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CCN1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](Cc3ccc(F)cc3)C(N)=O)C2)CC1 ZINC001296180608 1064312458 /nfs/dbraw/zinc/31/24/58/1064312458.db2.gz OOZKSBQGHSORGB-GGAORHGYSA-N 0 3 499.679 2.566 20 0 JFADHN CC[C@@H](C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001291802852 1064314166 /nfs/dbraw/zinc/31/41/66/1064314166.db2.gz GNHANKJLCKWLLQ-UYAOXDASSA-N 0 3 489.068 2.515 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(C(C)(C)O)cc3)C2)CC1 ZINC001296181863 1064319376 /nfs/dbraw/zinc/31/93/76/1064319376.db2.gz FOVKSKXSJAAARN-QHCPKHFHSA-N 0 3 454.663 2.969 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(C[S@](C)=O)cc3)C2)CC1 ZINC001296181859 1064319458 /nfs/dbraw/zinc/31/94/58/1064319458.db2.gz FOEPBCXDPVWGJO-WYOOIXGGSA-N 0 3 472.703 2.620 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3CC(F)(F)CNC(=O)OC(C)(C)C)C2)CC1 ZINC001296181894 1064320014 /nfs/dbraw/zinc/32/00/14/1064320014.db2.gz GPELFECPYIOFKJ-LJQANCHMSA-N 0 3 499.651 2.853 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(CCc4ccccc4)n3C[C@](C)(O)C(C)C)C2)CC1 ZINC001296182359 1064322440 /nfs/dbraw/zinc/32/24/40/1064322440.db2.gz QSDAIWYBLOLOHC-BVAGGSTKSA-N 0 3 454.663 2.687 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2Cc2cccs2)CC1 ZINC001296182921 1064325254 /nfs/dbraw/zinc/32/52/54/1064325254.db2.gz AZKUUYFXDGUKIC-RTWAWAEBSA-N 0 3 487.718 2.963 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CC(C)(C)OC)C2)CC1 ZINC001296183191 1064327811 /nfs/dbraw/zinc/32/78/11/1064327811.db2.gz ZYSUTIRSEPTCED-NJDAHSKKSA-N 0 3 462.683 2.838 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C)nnc2N(CCO)Cc2ccc(F)c(Br)c2)CC1 ZINC001296184051 1064330420 /nfs/dbraw/zinc/33/04/20/1064330420.db2.gz IPUMOYBSYGFYCO-KRWDZBQOSA-N 0 3 497.457 2.761 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)OC)CC1 ZINC001296190363 1064337763 /nfs/dbraw/zinc/33/77/63/1064337763.db2.gz CODHTXQTMQDVFV-IBGZPJMESA-N 0 3 479.670 2.664 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001296190366 1064337924 /nfs/dbraw/zinc/33/79/24/1064337924.db2.gz CPLOLIXWMVTKGT-QZTJIDSGSA-N 0 3 456.557 2.754 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(C3CCCCC3)C(=O)C2)CC1 ZINC001296190389 1064338803 /nfs/dbraw/zinc/33/88/03/1064338803.db2.gz CUWFZPCVXIJVIY-JOCHJYFZSA-N 0 3 473.710 2.732 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cc(C)ccc2F)CC1 ZINC001296190697 1064340446 /nfs/dbraw/zinc/34/04/46/1064340446.db2.gz DYDFIVHPKCTTLP-NRFANRHFSA-N 0 3 485.652 2.758 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(N(C)C3CCC4(CC3)OCCO4)nnc2C(C)(C)C)CC1 ZINC001296191836 1064343480 /nfs/dbraw/zinc/34/34/80/1064343480.db2.gz CFEHJMZPLVQESX-HXUWFJFHSA-N 0 3 462.683 2.971 20 0 JFADHN CC[C@@H](C)NC(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001291817819 1064351593 /nfs/dbraw/zinc/35/15/93/1064351593.db2.gz NSWNKTSURWXCQF-HXUWFJFHSA-N 0 3 486.636 2.861 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C3CC3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296194079 1064353973 /nfs/dbraw/zinc/35/39/73/1064353973.db2.gz LHOBQRRAWKGUCV-QKNQBKEWSA-N 0 3 475.682 2.779 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001296194444 1064356235 /nfs/dbraw/zinc/35/62/35/1064356235.db2.gz SKIKHCXBMABKOY-UYAOXDASSA-N 0 3 461.680 2.847 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](COC(C)C)C2)CC1 ZINC001296194422 1064356267 /nfs/dbraw/zinc/35/62/67/1064356267.db2.gz SGTTXFKQCDTGDN-VXKWHMMOSA-N 0 3 464.699 2.771 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001296194980 1064358226 /nfs/dbraw/zinc/35/82/26/1064358226.db2.gz UIDDZFKJCZZNNS-UXHICEINSA-N 0 3 473.691 2.933 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001296196948 1064371049 /nfs/dbraw/zinc/37/10/49/1064371049.db2.gz WWSICMZKMBFTDW-MZKRTTBSSA-N 0 3 483.661 2.709 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296197390 1064374077 /nfs/dbraw/zinc/37/40/77/1064374077.db2.gz XSIQJJZYVQBPLM-PKTZIBPZSA-N 0 3 470.662 2.973 20 0 JFADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001296204039 1064382877 /nfs/dbraw/zinc/38/28/77/1064382877.db2.gz POUDMZMDVDBYAR-GOSISDBHSA-N 0 3 477.604 2.920 20 0 JFADHN CCN1CCN(CCCn2c(C(C)C)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)CC1 ZINC001296204038 1064382991 /nfs/dbraw/zinc/38/29/91/1064382991.db2.gz POJBTCRRVYMQPP-OAQYLSRUSA-N 0 3 461.699 2.806 20 0 JFADHN CCN1CCN(CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@H](C)[C@H]2C)CC1 ZINC001296207288 1064397124 /nfs/dbraw/zinc/39/71/24/1064397124.db2.gz WIPWZOQAGBCZQC-WOJBJXKFSA-N 0 3 474.675 2.611 20 0 JFADHN CCN1CCN(CCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001296211842 1064402872 /nfs/dbraw/zinc/40/28/72/1064402872.db2.gz QEALFUCEWBZBIC-XMMPIXPASA-N 0 3 473.691 2.924 20 0 JFADHN CCN1CCN(CCCn2c(N3CCCC[C@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296212564 1064404325 /nfs/dbraw/zinc/40/43/25/1064404325.db2.gz ABYMENDCRSQJNO-DHLKQENFSA-N 0 3 462.683 2.973 20 0 JFADHN CCN1CCN(CCCn2c(N3CCCC[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296212569 1064404557 /nfs/dbraw/zinc/40/45/57/1064404557.db2.gz ABYMENDCRSQJNO-RDGATRHJSA-N 0 3 462.683 2.973 20 0 JFADHN CCN1CCN(CCCn2c(CSc3ccccc3OC)nnc2N2CCOC[C@H]2C)CC1 ZINC001296213055 1064406622 /nfs/dbraw/zinc/40/66/22/1064406622.db2.gz FTSMSGWFGSNSSX-HXUWFJFHSA-N 0 3 474.675 2.832 20 0 JFADHN CC[C@@H](c1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)O)c1ccccc1 ZINC001291857589 1064465419 /nfs/dbraw/zinc/46/54/19/1064465419.db2.gz ODWMVAVFVCUSLT-AGILITTLSA-N 0 3 482.673 2.970 20 0 JFADHN CC[C@@H](c1nnc(N2CCC(C(N)=O)CC2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291863291 1064475063 /nfs/dbraw/zinc/47/50/63/1064475063.db2.gz ODOJYYHILNSGCZ-JOCHJYFZSA-N 0 3 467.662 2.548 20 0 JFADHN CC[C@@H](c1nnc(N2CCC(CC(N)=O)CC2)n1C[C@@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001291864487 1064477789 /nfs/dbraw/zinc/47/77/89/1064477789.db2.gz GLVHKXLXUVVRGP-ZJSXRUAMSA-N 0 3 481.689 2.938 20 0 JFADHN CC[C@@H](c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@](C)(O)CC)c1ccccc1 ZINC001291887909 1064509655 /nfs/dbraw/zinc/50/96/55/1064509655.db2.gz KSEFYSGCIAYKKC-GJZUVCINSA-N 0 3 468.646 2.725 20 0 JFADHN CC[C@H](c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@](C)(O)CC)c1ccccc1 ZINC001291887910 1064509768 /nfs/dbraw/zinc/50/97/68/1064509768.db2.gz KSEFYSGCIAYKKC-NVQXNPDNSA-N 0 3 468.646 2.725 20 0 JFADHN CC[C@@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001291887942 1064510262 /nfs/dbraw/zinc/51/02/62/1064510262.db2.gz LJEUOCFPGBSCOV-AKIFATBCSA-N 0 3 467.662 2.548 20 0 JFADHN CC[C@H](c1nnc(N2CCN(C(C)=O)CC2)n1C[C@@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001291889223 1064514079 /nfs/dbraw/zinc/51/40/79/1064514079.db2.gz ZXNXGECHGXRWIU-DHLKQENFSA-N 0 3 481.689 2.762 20 0 JFADHN CC[C@@H](c1nnc(N2CCN(CC3CCOCC3)CC2)n1CC(=O)NCC(F)F)c1ccccc1 ZINC001291893248 1064521426 /nfs/dbraw/zinc/52/14/26/1064521426.db2.gz KODLEIFZEDKESU-OAQYLSRUSA-N 0 3 490.599 2.750 20 0 JFADHN CC(C)(O)CN1CCc2c(cccc2NC(=O)C2=NOC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001296256964 1064522144 /nfs/dbraw/zinc/52/21/44/1064522144.db2.gz HKRGWRRUUZOIIP-UHFFFAOYSA-N 0 3 458.559 2.520 20 0 JFADHN CC(C)(O)CN1CCc2c(cccc2NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1 ZINC001296257321 1064522316 /nfs/dbraw/zinc/52/23/16/1064522316.db2.gz LFSMLYNFZRDIQJ-UHFFFAOYSA-N 0 3 457.596 2.780 20 0 JFADHN CC[C@@H](c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001291893934 1064523084 /nfs/dbraw/zinc/52/30/84/1064523084.db2.gz VNUDYVNZTSGWKL-CQOQZXRMSA-N 0 3 481.689 2.761 20 0 JFADHN CCC(CC)(Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1)SC ZINC001291905675 1064536148 /nfs/dbraw/zinc/53/61/48/1064536148.db2.gz VGECMJUFSBYGOA-UHFFFAOYSA-N 0 3 478.707 2.985 20 0 JFADHN CCNC(=O)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(C)(C)C)CC2)cc1 ZINC001296272167 1064541316 /nfs/dbraw/zinc/54/13/16/1064541316.db2.gz JWKBPJPUOOAYQT-OAQYLSRUSA-N 0 3 454.619 2.891 20 0 JFADHN CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)SC ZINC001291930763 1064547875 /nfs/dbraw/zinc/54/78/75/1064547875.db2.gz CADJQAMAMHPLMD-PMACEKPBSA-N 0 3 478.707 2.837 20 0 JFADHN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1)OC ZINC001291930840 1064548423 /nfs/dbraw/zinc/54/84/23/1064548423.db2.gz DQINTZZZYSDXLE-MZYLBHOOSA-N 0 3 490.693 2.756 20 0 JFADHN CCNC(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001296280707 1064551065 /nfs/dbraw/zinc/55/10/65/1064551065.db2.gz GZOOTWWBZHWGPY-NRFANRHFSA-N 0 3 454.619 2.891 20 0 JFADHN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1)OC ZINC001291933476 1064552461 /nfs/dbraw/zinc/55/24/61/1064552461.db2.gz HMXWMCCYIQJBFA-XUZZJYLKSA-N 0 3 497.688 2.848 20 0 JFADHN CCNC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001296289059 1064563145 /nfs/dbraw/zinc/56/31/45/1064563145.db2.gz NDRBDMLUTBAKPA-JOCHJYFZSA-N 0 3 481.670 2.876 20 0 JFADHN CCC(CC)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(C)(OC)C1)N(C)C ZINC001291954882 1064568896 /nfs/dbraw/zinc/56/88/96/1064568896.db2.gz SEEXFQXJCLFVCR-HXUWFJFHSA-N 0 3 463.648 2.940 20 0 JFADHN CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCNC(=O)[C@H]1CC)N1CCOCC1 ZINC001291961564 1064574274 /nfs/dbraw/zinc/57/42/74/1064574274.db2.gz LHVPPDJUTLXLAA-FGZHOGPDSA-N 0 3 454.619 2.797 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1C[C@H](c1ccccc1)N(C)C ZINC001292018726 1064654721 /nfs/dbraw/zinc/65/47/21/1064654721.db2.gz YIXOGHBBFFMDDC-NKKJXINNSA-N 0 3 497.688 2.656 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@H]1CCCN1CCCO ZINC001292036118 1064699197 /nfs/dbraw/zinc/69/91/97/1064699197.db2.gz PRGURSKAIAPZEL-GOSISDBHSA-N 0 3 474.572 2.822 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@@H]1CCCCN1C1CC1 ZINC001292052835 1064717499 /nfs/dbraw/zinc/71/74/99/1064717499.db2.gz HANOQFUQEZOFLN-QFIPXVFZSA-N 0 3 487.693 2.908 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC1CCS(=O)(=O)CC1 ZINC001292126550 1064876293 /nfs/dbraw/zinc/87/62/93/1064876293.db2.gz LNXJGFIMQJYPBL-UHFFFAOYSA-N 0 3 496.722 2.580 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1ccc(C)cc1 ZINC001292127085 1064879680 /nfs/dbraw/zinc/87/96/80/1064879680.db2.gz UZALAAKMAFMDPN-NRFANRHFSA-N 0 3 454.619 2.712 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1Cc1cccc(N(C)C)c1 ZINC001292127105 1064880332 /nfs/dbraw/zinc/88/03/32/1064880332.db2.gz VULLDMOLYIUCLO-UHFFFAOYSA-N 0 3 497.688 2.859 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1C[C@H](C)N1CCC(C)CC1 ZINC001292145272 1064918339 /nfs/dbraw/zinc/91/83/39/1064918339.db2.gz SZDFLSSHMZBEIN-BVSLBCMMSA-N 0 3 476.666 2.701 20 0 JFADHN CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC001292163475 1064949466 /nfs/dbraw/zinc/94/94/66/1064949466.db2.gz NYKFAOZCBJDUIS-UGKGYDQZSA-N 0 3 474.675 2.709 20 0 JFADHN CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS(=O)(=O)CC1)N1CCCC1 ZINC001292184925 1064976113 /nfs/dbraw/zinc/97/61/13/1064976113.db2.gz HOYKBNXYAQHJOQ-QGZVFWFLSA-N 0 3 468.023 2.716 20 0 JFADHN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)N1CCCC1 ZINC001292187843 1064980604 /nfs/dbraw/zinc/98/06/04/1064980604.db2.gz ZPGBMOKHTIQSIK-RDJZCZTQSA-N 0 3 455.028 2.737 20 0 JFADHN CC[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1)N1CCCC1 ZINC001292191555 1064983457 /nfs/dbraw/zinc/98/34/57/1064983457.db2.gz IDUTYRHSZPLLFW-LJQANCHMSA-N 0 3 491.658 2.850 20 0 JFADHN CC[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001292192829 1064985268 /nfs/dbraw/zinc/98/52/68/1064985268.db2.gz NOJHOSQZXUBNHD-VQTJNVASSA-N 0 3 461.632 2.842 20 0 JFADHN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1)NC(=O)OC(C)(C)C ZINC001292218837 1065005758 /nfs/dbraw/zinc/00/57/58/1065005758.db2.gz JNFWYDZNTJWHAN-NJYVYQBISA-N 0 3 492.665 2.982 20 0 JFADHN CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)OC ZINC001292225251 1065012529 /nfs/dbraw/zinc/01/25/29/1065012529.db2.gz QICHHXABLIKTSK-HAGHYFMRSA-N 0 3 480.654 2.930 20 0 JFADHN CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1)c1ccccc1 ZINC001292226982 1065014858 /nfs/dbraw/zinc/01/48/58/1065014858.db2.gz VAJQJHSNYDJFCI-FYYLOGMGSA-N 0 3 468.646 2.966 20 0 JFADHN CCC(O)(CC)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001292289772 1065061607 /nfs/dbraw/zinc/06/16/07/1065061607.db2.gz OLBRBRKYTWNIKT-WIOPSUGQSA-N 0 3 496.700 2.993 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](COC(C)C)C2)N(C)C)cc1 ZINC001292457267 1065179116 /nfs/dbraw/zinc/17/91/16/1065179116.db2.gz JMECXRLVEIAUOW-VJBWXMMDSA-N 0 3 484.645 2.725 20 0 JFADHN CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)N(C)C)cc1 ZINC001292457984 1065180258 /nfs/dbraw/zinc/18/02/58/1065180258.db2.gz MYBLRCIJFPTDPM-NFBKMPQASA-N 0 3 497.688 2.975 20 0 JFADHN CCc1ccc([C@@H](Cn2c([C@@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)N(C)C)cc1 ZINC001292459641 1065184854 /nfs/dbraw/zinc/18/48/54/1065184854.db2.gz DHAHIAOITIEZSO-FYYLOGMGSA-N 0 3 454.619 2.752 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)C(C)C)CC2)N(C)C)cc1 ZINC001292460530 1065188416 /nfs/dbraw/zinc/18/84/16/1065188416.db2.gz IEZNKLOLHQJHCP-PKTZIBPZSA-N 0 3 468.646 2.952 20 0 JFADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001292469979 1065195959 /nfs/dbraw/zinc/19/59/59/1065195959.db2.gz CKZXMESHGBKHAT-RBUKOAKNSA-N 0 3 450.461 2.566 20 0 JFADHN CCc1ccc(-c2nnc(N3CCC[C@@H](CNC(C)=O)C3)n2C[C@H](C)N2CCN(CC)CC2)cc1 ZINC001292507166 1065224724 /nfs/dbraw/zinc/22/47/24/1065224724.db2.gz IVUKNNNTRXGTFO-URXFXBBRSA-N 0 3 481.689 2.886 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2CCC(=O)N[C@@H](C)CC)cc1 ZINC001292513206 1065231981 /nfs/dbraw/zinc/23/19/81/1065231981.db2.gz AGZRBOAYPRXGAY-REWPJTCUSA-N 0 3 495.672 2.555 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2C[C@@H](CC)OC)cc1 ZINC001292513787 1065234445 /nfs/dbraw/zinc/23/44/45/1065234445.db2.gz NKEUQCILOCOIKB-YADHBBJMSA-N 0 3 454.619 2.675 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C(=O)CN(CC)CC)CC3)n2C[C@](C)(O)c2ccco2)cc1 ZINC001292513812 1065235109 /nfs/dbraw/zinc/23/51/09/1065235109.db2.gz OBKCRUHZBADUFK-MHZLTWQESA-N 0 3 494.640 2.999 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C4CCOCC4)CC3)n2CCSCCCO)cc1 ZINC001292518894 1065243567 /nfs/dbraw/zinc/24/35/67/1065243567.db2.gz ZBCHTYQBXITVQN-UHFFFAOYSA-N 0 3 459.660 2.924 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCN(CC)CCC(F)(F)F)cc1 ZINC001292525034 1065250775 /nfs/dbraw/zinc/25/07/75/1065250775.db2.gz OMZJLWANBKZACH-IBGZPJMESA-N 0 3 479.551 2.996 20 0 JFADHN CCc1ccccc1OCc1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1Cc1ccc(C(N)=O)nc1 ZINC001292589412 1065305348 /nfs/dbraw/zinc/30/53/48/1065305348.db2.gz LLQZGDFGJXOWNI-MOPGFXCFSA-N 0 3 477.613 2.881 20 0 JFADHN CCc1ccccc1OCc1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1Cc1ccc(C(N)=O)nc1 ZINC001292589418 1065305967 /nfs/dbraw/zinc/30/59/67/1065305967.db2.gz LLQZGDFGJXOWNI-RTBURBONSA-N 0 3 477.613 2.881 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CCCN(CC)C(=O)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001292608043 1065334467 /nfs/dbraw/zinc/33/44/67/1065334467.db2.gz AIPFRFPLOWEPPP-QFIPXVFZSA-N 0 3 497.688 2.504 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001292619887 1065356773 /nfs/dbraw/zinc/35/67/73/1065356773.db2.gz RANWDDAPWNIKEC-MZYLBHOOSA-N 0 3 498.672 2.569 20 0 JFADHN CCc1nc(CN(C)c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2CCC(OC)CC2)cs1 ZINC001292721074 1065482222 /nfs/dbraw/zinc/48/22/22/1065482222.db2.gz QVQSEVVXHHZGTQ-UHFFFAOYSA-N 0 3 477.679 2.961 20 0 JFADHN CC(C)N1CCCN(C(=O)c2cc(I)ccc2N2CCOCC2)CC1 ZINC001292742178 1065502277 /nfs/dbraw/zinc/50/22/77/1065502277.db2.gz QZJBNYOQFQZHDL-UHFFFAOYSA-N 0 3 457.356 2.684 20 0 JFADHN Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)c2)n1 ZINC001292811880 1065563236 /nfs/dbraw/zinc/56/32/36/1065563236.db2.gz OXPDKFOSWILRFI-UHFFFAOYSA-N 0 3 456.978 2.871 20 0 JFADHN CCc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1Cc1ccnc(OC(F)F)c1 ZINC001292815938 1065565782 /nfs/dbraw/zinc/56/57/82/1065565782.db2.gz KIFXYHBWCCQRBM-UHFFFAOYSA-N 0 3 460.533 2.683 20 0 JFADHN CCc1nnc(N(CC)Cc2ccc(C(=O)N(C)C)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001292874202 1065581813 /nfs/dbraw/zinc/58/18/13/1065581813.db2.gz HHRNKQPHSWLOOW-UHFFFAOYSA-N 0 3 455.651 2.595 20 0 JFADHN CCc1nnc(N(CCO)Cc2ccc(Br)s2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001292888135 1065585376 /nfs/dbraw/zinc/58/53/76/1065585376.db2.gz FPUSKQSEHWQRLA-INIZCTEOSA-N 0 3 485.496 2.689 20 0 JFADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H](C)N(C)c1ccccc1 ZINC001292892766 1065591355 /nfs/dbraw/zinc/59/13/55/1065591355.db2.gz HZRKWWNRJMDIDF-HFMPRLQTSA-N 0 3 467.662 2.744 20 0 JFADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H](C)Oc1ccc(F)cc1 ZINC001292893221 1065593018 /nfs/dbraw/zinc/59/30/18/1065593018.db2.gz MKZGMOZFCNPVTQ-YDHSSHFGSA-N 0 3 472.609 2.826 20 0 JFADHN CCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC1(OC)CCC(C)CC1 ZINC001292893226 1065593607 /nfs/dbraw/zinc/59/36/07/1065593607.db2.gz MNVGJFVZPGNXEP-DJVCCWTQSA-N 0 3 460.667 2.815 20 0 JFADHN CCc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1C[C@@H](c1ccco1)N(CC)CC ZINC001292921781 1065607154 /nfs/dbraw/zinc/60/71/54/1065607154.db2.gz COFBOSSOUHJOGP-FQEVSTJZSA-N 0 3 458.607 2.592 20 0 JFADHN CCc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001292932627 1065622664 /nfs/dbraw/zinc/62/26/64/1065622664.db2.gz WXSJATYMLIRJMU-UFYCRDLUSA-N 0 3 491.681 2.523 20 0 JFADHN CCc1nnc(N2CC[C@@H](c3ccccc3OC)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001292943493 1065628346 /nfs/dbraw/zinc/62/83/46/1065628346.db2.gz OELZNXWKQBSLEG-CTNGQTDRSA-N 0 3 454.619 2.786 20 0 JFADHN CCc1nnc(N2CC[C@H](c3ccccc3OC)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001292943495 1065628456 /nfs/dbraw/zinc/62/84/56/1065628456.db2.gz OELZNXWKQBSLEG-PZJWPPBQSA-N 0 3 454.619 2.786 20 0 JFADHN Cc1nn(CC(=O)NC[C@@H](C)CN2CCN(C)CC2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001292959055 1065637080 /nfs/dbraw/zinc/63/70/80/1065637080.db2.gz QJHIOKSNJDJCBZ-OAHLLOKOSA-N 0 3 454.541 2.882 20 0 JFADHN CCN1CCN(C[C@@H](C)CNC(=O)CSc2nc3ccccc3nc2N2CCCC2)CC1 ZINC001292959484 1065637883 /nfs/dbraw/zinc/63/78/83/1065637883.db2.gz YKHGMIMQALUYJH-IBGZPJMESA-N 0 3 456.660 2.712 20 0 JFADHN CCc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001292977972 1065658326 /nfs/dbraw/zinc/65/83/26/1065658326.db2.gz DLAYLXQFAXKCNO-GOSISDBHSA-N 0 3 481.567 2.938 20 0 JFADHN CCc1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1Cc1cc(OC)ccc1OC(F)F ZINC001292979538 1065661369 /nfs/dbraw/zinc/66/13/69/1065661369.db2.gz WYAZYSXJKWRBQC-GOSISDBHSA-N 0 3 464.561 2.715 20 0 JFADHN CCc1nnc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001292980168 1065663006 /nfs/dbraw/zinc/66/30/06/1065663006.db2.gz LSBXZMUCWYKERP-NRFANRHFSA-N 0 3 469.565 2.978 20 0 JFADHN COC(=O)C1CCN(CCCNC(=O)C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC001292984643 1065667903 /nfs/dbraw/zinc/66/79/03/1065667903.db2.gz GVGSVHWJGMROQO-UHFFFAOYSA-N 0 3 451.608 2.805 20 0 JFADHN CCN1CCCN(C(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)OC(C)(C)C)CC1 ZINC001293013621 1065692535 /nfs/dbraw/zinc/69/25/35/1065692535.db2.gz AGFIAXHEHNWPJB-QFIPXVFZSA-N 0 3 455.603 2.921 20 0 JFADHN CCc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001293035552 1065704220 /nfs/dbraw/zinc/70/42/20/1065704220.db2.gz NSAGEKOXFWGMCN-PMACEKPBSA-N 0 3 491.681 2.619 20 0 JFADHN CCc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@H](c1ccsc1)N(CC)CC ZINC001293036986 1065706396 /nfs/dbraw/zinc/70/63/96/1065706396.db2.gz RRWAKPIVEFELIH-VQTJNVASSA-N 0 3 480.704 2.989 20 0 JFADHN CCc1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001293081137 1065730295 /nfs/dbraw/zinc/73/02/95/1065730295.db2.gz FHZDNCLZUULHCY-SFHVURJKSA-N 0 3 492.043 2.621 20 0 JFADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1ccccc1OC(F)(F)F ZINC001293082997 1065733122 /nfs/dbraw/zinc/73/31/22/1065733122.db2.gz CYORDHIJEPGLJV-QGZVFWFLSA-N 0 3 466.508 2.530 20 0 JFADHN CCc1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1CCNc1ncc(Cl)cc1Cl ZINC001293086464 1065736127 /nfs/dbraw/zinc/73/61/27/1065736127.db2.gz NHLSLUPAIUBSJL-UHFFFAOYSA-N 0 3 483.448 2.645 20 0 JFADHN Cc1cc(N2C[C@H](C(=O)N(CCN(C)C)C[C@H]3CCCO3)CC2=O)ccc1Br ZINC001293106451 1065753586 /nfs/dbraw/zinc/75/35/86/1065753586.db2.gz CJRYEOSGUBRTSW-SJLPKXTDSA-N 0 3 452.393 2.680 20 0 JFADHN CCc1nnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001293109980 1065755516 /nfs/dbraw/zinc/75/55/16/1065755516.db2.gz YTEQOEFJIIWRJN-OAQYLSRUSA-N 0 3 483.709 2.663 20 0 JFADHN CCc1nnc(N2CCN(CC3CCOCC3)CC2)n1Cc1cccnc1OCC(F)(F)F ZINC001293131219 1065782547 /nfs/dbraw/zinc/78/25/47/1065782547.db2.gz MSKSTVQCUSEIFZ-UHFFFAOYSA-N 0 3 468.524 2.774 20 0 JFADHN CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001293254547 1065918579 /nfs/dbraw/zinc/91/85/79/1065918579.db2.gz ZCGDQCUDSNIEND-RTBURBONSA-N 0 3 454.623 2.576 20 0 JFADHN CC[C@@H]1C[C@@H](C)CN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001293298897 1065939625 /nfs/dbraw/zinc/93/96/25/1065939625.db2.gz DCPDTLPFWHZHQP-OTPAQWSUSA-N 0 3 462.683 2.970 20 0 JFADHN CC[C@@H]1C[C@@H](C)CN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001293329592 1065951401 /nfs/dbraw/zinc/95/14/01/1065951401.db2.gz IGCQRBKACODTKG-YHINDDMVSA-N 0 3 476.666 2.570 20 0 JFADHN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001293372418 1065975728 /nfs/dbraw/zinc/97/57/28/1065975728.db2.gz QWVZURJBHUGGKF-UHFFFAOYSA-N 0 3 451.658 2.917 20 0 JFADHN O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC001293383611 1065985514 /nfs/dbraw/zinc/98/55/14/1065985514.db2.gz PZIPUACBIILPOI-UHFFFAOYSA-N 0 3 450.539 2.657 20 0 JFADHN CC[C@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCN(CC)CC2)C1 ZINC001293388047 1065988986 /nfs/dbraw/zinc/98/89/86/1065988986.db2.gz XXVJAXXICWTYNL-WIOPSUGQSA-N 0 3 462.683 2.973 20 0 JFADHN CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)CN2CCN(CC)CC2)CCS1 ZINC001293508842 1066033047 /nfs/dbraw/zinc/03/30/47/1066033047.db2.gz FTBMBZGQJSBAIJ-PMACEKPBSA-N 0 3 486.690 2.531 20 0 JFADHN CC[C@@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)N2CCN(CC)CC2)C[C@@H](C)O1 ZINC001293540124 1066059154 /nfs/dbraw/zinc/05/91/54/1066059154.db2.gz LXEXICBVLCOJCF-TUNNFDKTSA-N 0 3 486.661 2.992 20 0 JFADHN C[C@H](CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001293543251 1066063330 /nfs/dbraw/zinc/06/33/30/1066063330.db2.gz XPVGPTRKZOTOJK-KURKYZTESA-N 0 3 457.040 2.905 20 0 JFADHN C[C@H](CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001293543251 1066063341 /nfs/dbraw/zinc/06/33/41/1066063341.db2.gz XPVGPTRKZOTOJK-KURKYZTESA-N 0 3 457.040 2.905 20 0 JFADHN COc1cc2cc(C(=O)NCc3ccc(C(=O)NCCN4CCCC4)cc3)[nH]c2cc1OC ZINC001293558241 1066071684 /nfs/dbraw/zinc/07/16/84/1066071684.db2.gz INABOOZBJGKTDV-UHFFFAOYSA-N 0 3 450.539 2.941 20 0 JFADHN CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1)C1CC1 ZINC001293559060 1066073148 /nfs/dbraw/zinc/07/31/48/1066073148.db2.gz YZDOLRYQJMCFQK-OAQYLSRUSA-N 0 3 458.603 2.822 20 0 JFADHN CC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN2CCOCC2(C)C)CCN1CCOC ZINC001293559737 1066074276 /nfs/dbraw/zinc/07/42/76/1066074276.db2.gz FKSPWELZEFLMDD-JOCHJYFZSA-N 0 3 456.635 2.603 20 0 JFADHN CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H](C)CN2CCN(CC)CC2)CCO1 ZINC001293643793 1066159163 /nfs/dbraw/zinc/15/91/63/1066159163.db2.gz HIBWPWGERZNEPI-LEWJYISDSA-N 0 3 474.625 2.885 20 0 JFADHN CC[C@H]1CN(c2nnc(COc3ccccc3F)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001293645679 1066161193 /nfs/dbraw/zinc/16/11/93/1066161193.db2.gz XNFOZKOJNWLIGK-PZJWPPBQSA-N 0 3 488.608 2.554 20 0 JFADHN CC/C=C\Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001293683465 1066174009 /nfs/dbraw/zinc/17/40/09/1066174009.db2.gz QIDATRZUYROAPC-IZRJCCQOSA-N 0 3 468.602 2.671 20 0 JFADHN CC(=O)N[C@@H](CC(=O)N1CCN(CC2CCOCC2)CC1)c1ccc(Br)cc1 ZINC001293707508 1066179523 /nfs/dbraw/zinc/17/95/23/1066179523.db2.gz IGBOANNUYQRFQC-FQEVSTJZSA-N 0 3 452.393 2.587 20 0 JFADHN CC/C=C/Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001293724313 1066184181 /nfs/dbraw/zinc/18/41/81/1066184181.db2.gz DBEAFYCKNZHUOR-ZZXKWVIFSA-N 0 3 456.566 2.707 20 0 JFADHN CCC[C@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001293809710 1066320580 /nfs/dbraw/zinc/32/05/80/1066320580.db2.gz PVAAQWZSGYSOLL-DFBJGRDBSA-N 0 3 473.618 2.672 20 0 JFADHN CCC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001293817570 1066324909 /nfs/dbraw/zinc/32/49/09/1066324909.db2.gz ISCIPWINULAEFB-PXDATVDWSA-N 0 3 455.651 2.804 20 0 JFADHN CCC[C@](C)(O)Cn1c(C2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001293818873 1066326327 /nfs/dbraw/zinc/32/63/27/1066326327.db2.gz ASPTXHOAKTXYCX-SWHJIRTISA-N 0 3 460.667 2.866 20 0 JFADHN CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001293822512 1066330138 /nfs/dbraw/zinc/33/01/38/1066330138.db2.gz VALQIDBXOKXZLE-BLFHIAQRSA-N 0 3 483.661 2.579 20 0 JFADHN CCC[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCN(C)C(C)(C)C1 ZINC001293911598 1066398012 /nfs/dbraw/zinc/39/80/12/1066398012.db2.gz UQBJCAWXPFJQJQ-LJQANCHMSA-N 0 3 490.722 2.889 20 0 JFADHN CCC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)OC ZINC001293981539 1066485065 /nfs/dbraw/zinc/48/50/65/1066485065.db2.gz HGHPMRYIZGOJBZ-PKTZIBPZSA-N 0 3 455.651 2.684 20 0 JFADHN C[C@H](C(=O)NCc1ccccc1CN1CCC(O)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC001294000051 1066501936 /nfs/dbraw/zinc/50/19/36/1066501936.db2.gz RABKFRHICRRHPP-HXUWFJFHSA-N 0 3 454.590 2.609 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CC2)CCN1CCOC ZINC001294066817 1066536865 /nfs/dbraw/zinc/53/68/65/1066536865.db2.gz FDYQYWOWEHBJPL-HXUWFJFHSA-N 0 3 461.632 2.696 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(C)COCCO2)CCN1CCOC ZINC001294066833 1066536903 /nfs/dbraw/zinc/53/69/03/1066536903.db2.gz FFRMPNHIQLALKG-SQJMNOBHSA-N 0 3 473.618 2.696 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2Cc2cc(C)nn2C)CCN1CCOC ZINC001294066798 1066536975 /nfs/dbraw/zinc/53/69/75/1066536975.db2.gz JSFDLQZVJKWLLH-NRFANRHFSA-N 0 3 467.618 2.981 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2ncn(C)n2)CCN1CCOC ZINC001294066914 1066537201 /nfs/dbraw/zinc/53/72/01/1066537201.db2.gz HEPHNPQJZXAOTP-IBGZPJMESA-N 0 3 458.998 2.712 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2ccc(N(C)C)nc2)CCN1CCOC ZINC001294073089 1066542166 /nfs/dbraw/zinc/54/21/66/1066542166.db2.gz JQWOJRDOPQOUHY-NRFANRHFSA-N 0 3 464.618 2.787 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2nc(C)c(C)s2)CCN1CCOC ZINC001294077379 1066546509 /nfs/dbraw/zinc/54/65/09/1066546509.db2.gz OISBZPQWZCUOHF-GOSISDBHSA-N 0 3 456.620 2.794 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(F)c2)CCN1CCOC ZINC001294077465 1066547023 /nfs/dbraw/zinc/54/70/23/1066547023.db2.gz PJLJSXCQPKJVDV-IBGZPJMESA-N 0 3 469.565 2.868 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(O)cc2)CCN1CCOC ZINC001294078316 1066547911 /nfs/dbraw/zinc/54/79/11/1066547911.db2.gz YJKDNYUXVBXIHB-NRFANRHFSA-N 0 3 453.591 2.564 20 0 JFADHN CCC[C@H]1CN(c2nnc(C3CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CCN1CCOC ZINC001294080187 1066548760 /nfs/dbraw/zinc/54/87/60/1066548760.db2.gz COKZGOSHHSHSRN-HKUYNNGSSA-N 0 3 458.573 2.977 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2nnc(C)s2)CCN1CCOC ZINC001294082498 1066551859 /nfs/dbraw/zinc/55/18/59/1066551859.db2.gz KSFGXINHVVHRIU-SFHVURJKSA-N 0 3 456.620 2.794 20 0 JFADHN CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)CCN1CCOC ZINC001294087837 1066560106 /nfs/dbraw/zinc/56/01/06/1066560106.db2.gz XYNBOVXTOJMORS-CJFMBICVSA-N 0 3 460.667 2.815 20 0 JFADHN CCC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001294092055 1066563082 /nfs/dbraw/zinc/56/30/82/1066563082.db2.gz SVSBUKKJVBJAPL-GGAORHGYSA-N 0 3 486.636 2.956 20 0 JFADHN F[C@]1(N2CC[C@H]3NCCO[C@@H]3C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164390426 718823195 /nfs/dbraw/zinc/82/31/95/718823195.db2.gz OMYSSCQDAAIMOQ-LZJOCLMNSA-N 0 3 452.361 2.984 20 0 JFADHN CN(C)C(=O)CN1CC[C@]2(CN(c3ccc(CN(C)C4CC4)cn3)C[C@H]2c2ccccc2)C1=O ZINC001164635952 719143795 /nfs/dbraw/zinc/14/37/95/719143795.db2.gz XSEVHCNBKTZTAN-WNCULLNHSA-N 0 3 461.610 2.587 20 0 JFADHN CNC(=O)CN1CCCC12CCN(c1cc(C(=O)NCc3ccccc3)cc(Cl)n1)CC2 ZINC001164682259 719704858 /nfs/dbraw/zinc/70/48/58/719704858.db2.gz CSWDIIQYEBCMKC-UHFFFAOYSA-N 0 3 455.990 2.846 20 0 JFADHN O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164724331 720362499 /nfs/dbraw/zinc/36/24/99/720362499.db2.gz JROPQNDERSRKPI-FGZHOGPDSA-N 0 3 460.563 2.917 20 0 JFADHN Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CCc3ncc(CN4CCCC4)n3CC2)cc1 ZINC001164733083 720551878 /nfs/dbraw/zinc/55/18/78/720551878.db2.gz JHJDEUWNTUYMPT-UHFFFAOYSA-N 0 3 491.621 2.832 20 0 JFADHN COC(=O)c1cc2c([n-]1)nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164836344 720563837 /nfs/dbraw/zinc/56/38/37/720563837.db2.gz JPMXXGMUZZSMBD-RLFYNMQTSA-N 0 3 457.966 2.972 20 0 JFADHN COC(=O)c1cc2c([n-]1)nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164836344 720563840 /nfs/dbraw/zinc/56/38/40/720563840.db2.gz JPMXXGMUZZSMBD-RLFYNMQTSA-N 0 3 457.966 2.972 20 0 JFADHN O=C(NCc1ccccc1)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164745080 720647497 /nfs/dbraw/zinc/64/74/97/720647497.db2.gz UIEONOFOVKDLGE-PMACEKPBSA-N 0 3 464.957 2.797 20 0 JFADHN CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743878 720688430 /nfs/dbraw/zinc/68/84/30/720688430.db2.gz YNUUADSMEHUSIY-GJZGRUSLSA-N 0 3 454.918 2.592 20 0 JFADHN CS(=O)(=O)c1ccc(N2CC[C@]3(CN(CC4CC4)C[C@@H]3COCc3cccnc3)C2)nc1 ZINC001164752356 720906002 /nfs/dbraw/zinc/90/60/02/720906002.db2.gz NYHWAQQGDJQLJM-QPPBQGQZSA-N 0 3 456.612 2.635 20 0 JFADHN CCOC(=O)c1c2ccccn2c2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164868361 721045247 /nfs/dbraw/zinc/04/52/47/721045247.db2.gz OFPDMLJYYJSVCY-PMACEKPBSA-N 0 3 472.549 2.934 20 0 JFADHN Fc1ccccc1Cn1cnc2c1ncnc2N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865384 721106615 /nfs/dbraw/zinc/10/66/15/721106615.db2.gz KRBVUCUKZKCINK-RTWAWAEBSA-N 0 3 459.529 2.888 20 0 JFADHN CN(C)C(=O)c1cc2cnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nc2n1C1CCCC1 ZINC001164764896 721134262 /nfs/dbraw/zinc/13/42/62/721134262.db2.gz ILPXPPMRRVBFMX-CTNGQTDRSA-N 0 3 476.629 2.940 20 0 JFADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(S(=O)(=O)Nc5cc(F)ccc5F)cn4)C[C@@H]3C2)cn1 ZINC001164770096 721216850 /nfs/dbraw/zinc/21/68/50/721216850.db2.gz NAGPVYFMMNLUGV-MSOLQXFVSA-N 0 3 488.564 2.852 20 0 JFADHN COc1ccc(-c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)c(OC)c1OC ZINC001164765537 721227519 /nfs/dbraw/zinc/22/75/19/721227519.db2.gz RWJPBVOTOMPXEZ-OALUTQOASA-N 0 3 464.570 2.861 20 0 JFADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164761083 721227842 /nfs/dbraw/zinc/22/78/42/721227842.db2.gz HHSYXGNESNCZPK-DHIUTWEWSA-N 0 3 459.598 2.672 20 0 JFADHN COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164897352 721427030 /nfs/dbraw/zinc/42/70/30/721427030.db2.gz SZDXFTBMEUYNMV-WWNOJBMISA-N 0 3 453.587 2.515 20 0 JFADHN COC(=O)C[C@H](c1ccnc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1)C1CC1 ZINC001164891544 721430716 /nfs/dbraw/zinc/43/07/16/721430716.db2.gz GWJDZSIVYKSXTM-FXSPECFOSA-N 0 3 456.631 2.904 20 0 JFADHN CCOC(=O)C1CCN(c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)CC1 ZINC001164908790 721543478 /nfs/dbraw/zinc/54/34/78/721543478.db2.gz QNSURQQLNBTYPX-UNMCSNQZSA-N 0 3 469.561 2.737 20 0 JFADHN O=S(=O)(c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1)N1CCCCC1 ZINC001164907596 721553666 /nfs/dbraw/zinc/55/36/66/721553666.db2.gz OURHHYRQGJPOLV-TZIWHRDSSA-N 0 3 460.575 2.737 20 0 JFADHN CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)C1 ZINC001164907194 721554952 /nfs/dbraw/zinc/55/49/52/721554952.db2.gz MOPGIFZBZZAAKA-KAGYGMCKSA-N 0 3 469.561 2.737 20 0 JFADHN CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)C1 ZINC001164907198 721555302 /nfs/dbraw/zinc/55/53/02/721555302.db2.gz MOPGIFZBZZAAKA-UZKOGDIHSA-N 0 3 469.561 2.737 20 0 JFADHN CCOC(=O)c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1C(=O)OCC ZINC001164907007 721567733 /nfs/dbraw/zinc/56/77/33/721567733.db2.gz LTZCWGWFYGTXCP-PKOBYXMFSA-N 0 3 457.502 2.916 20 0 JFADHN COC(=O)C1CCN(c2ccnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)n2)CC1 ZINC001164908138 721715732 /nfs/dbraw/zinc/71/57/32/721715732.db2.gz VYRYHCINGVXTRI-XMMPIXPASA-N 0 3 486.567 2.999 20 0 JFADHN FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982855 722105630 /nfs/dbraw/zinc/10/56/30/722105630.db2.gz PNCOLPXCWSSEOS-RTBURBONSA-N 0 3 494.974 2.634 20 0 JFADHN c1ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c(N3CCOCC3)nc2c1 ZINC001164982504 722115212 /nfs/dbraw/zinc/11/52/12/722115212.db2.gz WUFFTLFVMBLEJR-QPPBQGQZSA-N 0 3 460.582 2.589 20 0 JFADHN c1ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c(N3CCOCC3)nc2c1 ZINC001164982508 722115872 /nfs/dbraw/zinc/11/58/72/722115872.db2.gz WUFFTLFVMBLEJR-XUZZJYLKSA-N 0 3 460.582 2.589 20 0 JFADHN CC(=O)Oc1cc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC(C)=O ZINC001164981147 722132508 /nfs/dbraw/zinc/13/25/08/722132508.db2.gz ORFVQPLJKBPFJL-CJFMBICVSA-N 0 3 491.548 2.603 20 0 JFADHN NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983843 722136549 /nfs/dbraw/zinc/13/65/49/722136549.db2.gz VRURBASIQXQLLW-CRAIPNDOSA-N 0 3 451.905 2.501 20 0 JFADHN CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164974201 722143840 /nfs/dbraw/zinc/14/38/40/722143840.db2.gz CMNUEPWHSCHMKL-JTHBVZDNSA-N 0 3 473.643 2.528 20 0 JFADHN c1ccc(N2CCN(c3cc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)ncn3)CC2)cc1 ZINC001164985409 722148988 /nfs/dbraw/zinc/14/89/88/722148988.db2.gz ZJBUFTOCLZIJCC-AOYPEHQESA-N 0 3 485.636 2.926 20 0 JFADHN CN(C)c1cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(Cl)n1 ZINC001164971100 722153637 /nfs/dbraw/zinc/15/36/37/722153637.db2.gz AQSBOCKIYATXQA-IAGOWNOFSA-N 0 3 452.937 2.863 20 0 JFADHN CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CCN(C)C[C@H]3c3cnn(C)c3)cc2)CC1 ZINC001264109362 1059520353 /nfs/dbraw/zinc/52/03/53/1059520353.db2.gz OPSPPYTWCWSNGR-VXKWHMMOSA-N 0 3 459.616 2.515 20 0 JFADHN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(C[C@H]1CCCO1)C(F)(F)F ZINC001264228498 1059543496 /nfs/dbraw/zinc/54/34/96/1059543496.db2.gz QRRCOOFBELGCMQ-ZIAGYGMSSA-N 0 3 454.442 2.533 20 0 JFADHN COCCOCc1ccc(C(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC001264832115 1059699899 /nfs/dbraw/zinc/69/98/99/1059699899.db2.gz WDJJNSMCQUGTSE-HSZRJFAPSA-N 0 3 452.599 2.919 20 0 JFADHN CN(C(=O)c1ccc(NC(=O)CCn2cnc3sccc3c2=O)cc1)[C@@H]1CCCN(C)C1 ZINC001265246697 1059804737 /nfs/dbraw/zinc/80/47/37/1059804737.db2.gz CXMLDQXJLDDJFZ-GOSISDBHSA-N 0 3 453.568 2.653 20 0 JFADHN CN(C(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1)[C@@H]1CCCN(C)C1 ZINC001265247168 1059806028 /nfs/dbraw/zinc/80/60/28/1059806028.db2.gz LPEQLLWMIYWCPW-RBBKRZOGSA-N 0 3 455.603 2.719 20 0 JFADHN O=C(CN1C(=O)COc2cc(Br)ccc21)NC[C@H]1CCCN1Cc1ccccc1 ZINC001265257116 1059810083 /nfs/dbraw/zinc/81/00/83/1059810083.db2.gz RRCXOCJOMADSQH-GOSISDBHSA-N 0 3 458.356 2.955 20 0 JFADHN Cc1c(C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC001265482142 1059869854 /nfs/dbraw/zinc/86/98/54/1059869854.db2.gz HNRYYCPZTZWZGR-SFHVURJKSA-N 0 3 454.575 2.645 20 0 JFADHN Brc1ccc(OCc2nnc(N3CCOCC3)n2CCN2CCCCC2)cc1 ZINC001286267186 1060027154 /nfs/dbraw/zinc/02/71/54/1060027154.db2.gz MGIPIEJSICVNJO-UHFFFAOYSA-N 0 3 450.381 2.942 20 0 JFADHN CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001286841289 1061106381 /nfs/dbraw/zinc/10/63/81/1061106381.db2.gz LTJFKCZSYQUHQN-KNQAVFIVSA-N 0 3 458.582 2.671 20 0 JFADHN CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc[nH]3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001286850080 1061176654 /nfs/dbraw/zinc/17/66/54/1061176654.db2.gz XYMGZQCNKXOJKG-FQEVSTJZSA-N 0 3 453.566 2.849 20 0 JFADHN CC(=O)N1CCC[C@@H](Cn2c(CC(C)C)nnc2N(C)C2CCN(CCn3cccn3)CC2)C1 ZINC001286858890 1061222000 /nfs/dbraw/zinc/22/20/00/1061222000.db2.gz CZZWPHMENMJVTP-JOCHJYFZSA-N 0 3 470.666 2.532 20 0 JFADHN Cc1ccc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCN2CCN(C)C(C)(C)C2)o1 ZINC001289596192 1061240639 /nfs/dbraw/zinc/24/06/39/1061240639.db2.gz YBLYLVLHOKJZBR-UHFFFAOYSA-N 0 3 486.665 2.503 20 0 JFADHN CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC001286868644 1061258269 /nfs/dbraw/zinc/25/82/69/1061258269.db2.gz AAKXUYUBQFHFDK-NFBKMPQASA-N 0 3 454.619 2.750 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccc[nH]4)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286870833 1061268205 /nfs/dbraw/zinc/26/82/05/1061268205.db2.gz KQXXABDSYKIAJG-REWPJTCUSA-N 0 3 471.650 2.715 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(Cc4ccncc4)n3CCCC(F)(F)F)C[C@@H]2C)CC1 ZINC001286871421 1061272103 /nfs/dbraw/zinc/27/21/03/1061272103.db2.gz NZPIOFZAQCNMQL-GHTZIAJQSA-N 0 3 493.578 2.985 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CCCn3nc(C)cc3C)C[C@H]2C)CC1 ZINC001286871767 1061275718 /nfs/dbraw/zinc/27/57/18/1061275718.db2.gz PSZVLBKBSXQQKY-XXBNENTESA-N 0 3 470.666 2.684 20 0 JFADHN Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCOCC3)C[C@@H]2C)c(F)c1 ZINC001289655857 1061279068 /nfs/dbraw/zinc/27/90/68/1061279068.db2.gz VLYPRWPVJQTXHD-SFHVURJKSA-N 0 3 458.582 2.602 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3Cc3cccc(O)c3)C[C@H]2C)CC1 ZINC001286873001 1061283611 /nfs/dbraw/zinc/28/36/11/1061283611.db2.gz ZYRXNGDGRAWCOA-AUSIDOKSSA-N 0 3 454.619 2.609 20 0 JFADHN Cc1ccc(F)c(CN(C)c2nnc([C@H]3CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC001289706920 1061317625 /nfs/dbraw/zinc/31/76/25/1061317625.db2.gz ZHIZXLKZTRFUOZ-UGKGYDQZSA-N 0 3 472.609 2.809 20 0 JFADHN CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](c3cccs3)N(C)C)C[C@@H]2C)CC1 ZINC001286886261 1061328128 /nfs/dbraw/zinc/32/81/28/1061328128.db2.gz BQJPBPQBCXUOEM-TYPHKJRUSA-N 0 3 487.718 2.929 20 0 JFADHN CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)cc1 ZINC001286895682 1061376363 /nfs/dbraw/zinc/37/63/63/1061376363.db2.gz YOGBNEQFVULYNB-NLFFAJNJSA-N 0 3 495.672 2.862 20 0 JFADHN CC(=O)NC1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCC(C)CC2)CC1 ZINC001286896545 1061380126 /nfs/dbraw/zinc/38/01/26/1061380126.db2.gz FTVBNFZPIHRXAI-KPQWGBOZSA-N 0 3 473.666 2.518 20 0 JFADHN CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCC(C)CC2)C1 ZINC001286905635 1061420420 /nfs/dbraw/zinc/42/04/20/1061420420.db2.gz VARBAZLXEBZVSV-HSZRJFAPSA-N 0 3 481.645 2.984 20 0 JFADHN Cc1ccc(OCc2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2CC(=O)NC(C)C)cc1C ZINC001289805241 1061441858 /nfs/dbraw/zinc/44/18/58/1061441858.db2.gz IYALRYSEPSFJRG-QHCPKHFHSA-N 0 3 497.688 2.603 20 0 JFADHN Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H](C)CN2CCCC2)cc1C ZINC001289810606 1061456946 /nfs/dbraw/zinc/45/69/46/1061456946.db2.gz VOJAYAQPPKARND-GCJKJVERSA-N 0 3 475.659 2.829 20 0 JFADHN Cc1ccc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CC(=O)NCc2ccco2)cc1 ZINC001289820450 1061481666 /nfs/dbraw/zinc/48/16/66/1061481666.db2.gz FTSJWQWYOANJMB-UHFFFAOYSA-N 0 3 466.586 2.995 20 0 JFADHN CC(=O)NC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001286918474 1061506302 /nfs/dbraw/zinc/50/63/02/1061506302.db2.gz GLJIJZPMZGSGKX-DEOSSOPVSA-N 0 3 461.614 2.980 20 0 JFADHN CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC001286921668 1061518188 /nfs/dbraw/zinc/51/81/88/1061518188.db2.gz IQMLTNFUGYSENQ-LADGPHEKSA-N 0 3 495.672 2.914 20 0 JFADHN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(CC(C)(C)C)n2CCN2CC=CCC2)cc1 ZINC001289856306 1061534037 /nfs/dbraw/zinc/53/40/37/1061534037.db2.gz POCZZMBSFFIEKS-UHFFFAOYSA-N 0 3 474.675 2.852 20 0 JFADHN CC(=O)NCC1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001286936151 1061576753 /nfs/dbraw/zinc/57/67/53/1061576753.db2.gz WCBOXZJZROGPGE-UHFFFAOYSA-N 0 3 497.688 2.544 20 0 JFADHN CC(=O)NCC1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001286936290 1061577106 /nfs/dbraw/zinc/57/71/06/1061577106.db2.gz YSYKYQLKKNDCOP-FCHUYYIVSA-N 0 3 458.582 2.924 20 0 JFADHN CC(=O)NC[C@H]1CN(c2nnc(C(C)C)n2CC(C)(C)N2CCc3ccccc3C2)CCO1 ZINC001286937206 1061579644 /nfs/dbraw/zinc/57/96/44/1061579644.db2.gz NWMJILCPGMXVBU-QFIPXVFZSA-N 0 3 454.619 2.580 20 0 JFADHN Cc1cccc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@H](C)N2CCN(c3ccccc3)CC2)n1 ZINC001289908205 1061596141 /nfs/dbraw/zinc/59/61/41/1061596141.db2.gz FAGUBMDVMHPUCF-RTWAWAEBSA-N 0 3 476.629 2.559 20 0 JFADHN CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001294260443 1061762429 /nfs/dbraw/zinc/76/24/29/1061762429.db2.gz IRCYTWXNTQKKDM-LJQANCHMSA-N 0 3 486.617 2.514 20 0 JFADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](C1CCCCC1)N(C)C ZINC001286976595 1061785153 /nfs/dbraw/zinc/78/51/53/1061785153.db2.gz PCLGPHISMQUQIR-ZFMNYDKASA-N 0 3 469.696 2.940 20 0 JFADHN Cc1cccc(OCc2nnc(N3CCC(CN4CCOCC4)CC3)n2CCNC(=O)C(C)(C)C)c1 ZINC001290063221 1061788015 /nfs/dbraw/zinc/78/80/15/1061788015.db2.gz MBRMEPHRYJWSHA-UHFFFAOYSA-N 0 3 498.672 2.876 20 0 JFADHN CCCCN1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001294309178 1061798353 /nfs/dbraw/zinc/79/83/53/1061798353.db2.gz SFGDXSDLFKXMHE-HXUWFJFHSA-N 0 3 491.658 2.852 20 0 JFADHN CCCCN1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001294313763 1061806189 /nfs/dbraw/zinc/80/61/89/1061806189.db2.gz DVEYFNLHPRDODU-YADHBBJMSA-N 0 3 474.675 2.932 20 0 JFADHN Cc1ccccc1-c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1CC1(N2CCCC2)CCOCC1 ZINC001290093421 1061824249 /nfs/dbraw/zinc/82/42/49/1061824249.db2.gz OZYFTGCUKSBWJR-FQEVSTJZSA-N 0 3 475.659 2.768 20 0 JFADHN C[C@H]([C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCCCC1)S(C)(=O)=O ZINC001286983457 1061835630 /nfs/dbraw/zinc/83/56/30/1061835630.db2.gz VZYRYURCUKEWNM-RBUKOAKNSA-N 0 3 491.658 2.850 20 0 JFADHN Cc1ccccc1-c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CCN1CC=CCC1 ZINC001290123600 1061853423 /nfs/dbraw/zinc/85/34/23/1061853423.db2.gz BUECFJSOOHONJH-OAQYLSRUSA-N 0 3 472.659 2.623 20 0 JFADHN CCCCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001294358318 1061929084 /nfs/dbraw/zinc/92/90/84/1061929084.db2.gz VVMSVOOKGNXOOS-UHFFFAOYSA-N 0 3 461.699 2.635 20 0 JFADHN CC(C)(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1cccc(Br)n1 ZINC001287007019 1061929279 /nfs/dbraw/zinc/92/92/79/1061929279.db2.gz HQZQDFUILXSOJX-UHFFFAOYSA-N 0 3 490.450 2.526 20 0 JFADHN Cc1ccccc1N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C(C)C)C(C)C)CC1 ZINC001290200201 1061942750 /nfs/dbraw/zinc/94/27/50/1061942750.db2.gz RXQWDFXJQPLCAP-QFIPXVFZSA-N 0 3 488.702 2.934 20 0 JFADHN C[C@@H]1CN(CCCCNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001294413982 1061979111 /nfs/dbraw/zinc/97/91/11/1061979111.db2.gz GIYGWWJBKKEDEX-XQBPLPMBSA-N 0 3 458.603 2.969 20 0 JFADHN CC1CCN(S(=O)(=O)c2ccc(C(=O)NCCCCN3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC001294414882 1061980767 /nfs/dbraw/zinc/98/07/67/1061980767.db2.gz QHKDFHYMFKBTLI-WOJBJXKFSA-N 0 3 451.633 2.726 20 0 JFADHN CN1CCN(CCCNC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)CC1 ZINC001290270764 1061999691 /nfs/dbraw/zinc/99/96/91/1061999691.db2.gz GBKJKKBWMFDMEJ-UHFFFAOYSA-N 0 3 457.415 2.936 20 0 JFADHN Cc1cnn(CC2CCN(c3nnc(CC(C)C)n3CCCN3CCC[C@@H]3C(=O)N(C)C)CC2)c1 ZINC001290274063 1062005399 /nfs/dbraw/zinc/00/53/99/1062005399.db2.gz UBUQBYJGDDBYRI-HSZRJFAPSA-N 0 3 484.693 2.841 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001287039710 1062006385 /nfs/dbraw/zinc/00/63/85/1062006385.db2.gz MGXSFXZZIFKOMK-UHFFFAOYSA-N 0 3 484.649 2.788 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(C3CC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287039733 1062006485 /nfs/dbraw/zinc/00/64/85/1062006485.db2.gz NACCBZJYSADFOS-SFHVURJKSA-N 0 3 458.573 2.977 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)C2CC2)CC1 ZINC001287041120 1062008051 /nfs/dbraw/zinc/00/80/51/1062008051.db2.gz FJNJGKPVQBAIHN-DEOSSOPVSA-N 0 3 474.675 2.989 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCC(F)F)CC1 ZINC001287040957 1062008256 /nfs/dbraw/zinc/00/82/56/1062008256.db2.gz BNQLFRIENBFMOC-UHFFFAOYSA-N 0 3 466.552 2.948 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001287041724 1062010326 /nfs/dbraw/zinc/01/03/26/1062010326.db2.gz OTMXMKNLOKFBLY-XZOQPEGZSA-N 0 3 471.646 2.998 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)NC2CCCCC2)CC1 ZINC001287041727 1062010446 /nfs/dbraw/zinc/01/04/46/1062010446.db2.gz OYSFLQXNHJTHMR-UHFFFAOYSA-N 0 3 487.693 2.798 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 ZINC001287042937 1062014123 /nfs/dbraw/zinc/01/41/23/1062014123.db2.gz JHRNREBKUCICHS-AZUAARDMSA-N 0 3 475.659 2.820 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nccn2C(F)F)CC1 ZINC001287043484 1062015121 /nfs/dbraw/zinc/01/51/21/1062015121.db2.gz FBZATPVLCIQGMP-UHFFFAOYSA-N 0 3 478.573 2.830 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOc2ncccc2F)CC1 ZINC001287043379 1062015353 /nfs/dbraw/zinc/01/53/53/1062015353.db2.gz AMPBBGLNDMHWLA-UHFFFAOYSA-N 0 3 487.605 2.803 20 0 JFADHN CC(C)(C)N1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 ZINC001287043527 1062015839 /nfs/dbraw/zinc/01/58/39/1062015839.db2.gz GNFBECSXKZJKDC-FQEVSTJZSA-N 0 3 472.609 2.591 20 0 JFADHN COc1ccc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1S(=O)(=O)NC1CC1 ZINC001294509940 1062046581 /nfs/dbraw/zinc/04/65/81/1062046581.db2.gz LHQXWIVSVWPDJU-NRFANRHFSA-N 0 3 457.596 2.873 20 0 JFADHN Cc1csc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(CC(C)C)CC2)n1 ZINC001290353975 1062065512 /nfs/dbraw/zinc/06/55/12/1062065512.db2.gz PBFJJOVFZDCAIG-UHFFFAOYSA-N 0 3 459.645 2.861 20 0 JFADHN Cc1nc(Cc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@H](C)C2)cs1 ZINC001290385130 1062088536 /nfs/dbraw/zinc/08/85/36/1062088536.db2.gz HGSIDDVKHMTRBG-QKLQHJQFSA-N 0 3 480.704 2.625 20 0 JFADHN Cc1nc(Cc2nnc(N(C)CCc3nccs3)n2CCN2CCN(C)C(C)(C)C2)cs1 ZINC001290400996 1062104227 /nfs/dbraw/zinc/10/42/27/1062104227.db2.gz JINQYXNSNVYOQP-UHFFFAOYSA-N 0 3 474.704 2.795 20 0 JFADHN Cc1nc(Cc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H](c2cccs2)N(C)C)cs1 ZINC001290410436 1062127266 /nfs/dbraw/zinc/12/72/66/1062127266.db2.gz CWIJHBKBFFPVED-KKSFZXQISA-N 0 3 459.645 2.700 20 0 JFADHN CC(C)(C)C(=O)Nc1nc(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)cs1 ZINC001290416080 1062136341 /nfs/dbraw/zinc/13/63/41/1062136341.db2.gz LVYVAAKKLNAKTN-UHFFFAOYSA-N 0 3 457.644 2.994 20 0 JFADHN Cc1nc(Cc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC(C)(C)N2CCC[C@H](C)C2)cs1 ZINC001290422218 1062161434 /nfs/dbraw/zinc/16/14/34/1062161434.db2.gz WNYSFSIUXKVETK-LPHOPBHVSA-N 0 3 480.704 2.768 20 0 JFADHN CC(C)(C)OC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001287068734 1062174250 /nfs/dbraw/zinc/17/42/50/1062174250.db2.gz FNWFYZGQNUQJQM-LJQANCHMSA-N 0 3 475.638 2.599 20 0 JFADHN CCCN1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCS(=O)(=O)CC)C1 ZINC001294671501 1062229889 /nfs/dbraw/zinc/22/98/89/1062229889.db2.gz XOBAXIILSXFGRG-XUVXKRRUSA-N 0 3 469.696 2.800 20 0 JFADHN Cc1nnc(CCn2c(N(C)C[C@H](c3cccs3)N3CCOCC3)nnc2C(C)(C)C)[nH]1 ZINC001290465119 1062249904 /nfs/dbraw/zinc/24/99/04/1062249904.db2.gz YBMSZBHFAUKGSS-QGZVFWFLSA-N 0 3 458.636 2.816 20 0 JFADHN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCOCC(F)F ZINC001287089600 1062277576 /nfs/dbraw/zinc/27/75/76/1062277576.db2.gz OTEBWQRMKIHXFL-NLWGTHIKSA-N 0 3 471.593 2.637 20 0 JFADHN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCOCC(F)F ZINC001287089601 1062277721 /nfs/dbraw/zinc/27/77/21/1062277721.db2.gz OTEBWQRMKIHXFL-QWFCFKBJSA-N 0 3 471.593 2.637 20 0 JFADHN CC(C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001287097960 1062303795 /nfs/dbraw/zinc/30/37/95/1062303795.db2.gz AEAMJYMOFVFLAZ-UHFFFAOYSA-N 0 3 470.437 2.841 20 0 JFADHN Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCCC(C)(C)C1 ZINC001290537521 1062337818 /nfs/dbraw/zinc/33/78/18/1062337818.db2.gz DHOVIOHCDDNNDO-UHFFFAOYSA-N 0 3 456.639 2.623 20 0 JFADHN Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N(C)C2CCN(Cc3ccccc3)CC2)n(C)n1 ZINC001290562327 1062363374 /nfs/dbraw/zinc/36/33/74/1062363374.db2.gz DQVNCTIZLVRXKD-UHFFFAOYSA-N 0 3 464.618 2.607 20 0 JFADHN CC(C)C(=O)NC1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001287121127 1062366804 /nfs/dbraw/zinc/36/68/04/1062366804.db2.gz WEGWTOTULHCPNS-JOCHJYFZSA-N 0 3 480.592 2.918 20 0 JFADHN CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001287121889 1062369408 /nfs/dbraw/zinc/36/94/08/1062369408.db2.gz JLMFTQYEEBTCKA-NHCUHLMSSA-N 0 3 489.709 2.507 20 0 JFADHN CC(C)C(=O)NC1CCN(c2nnc(CC(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001287122780 1062374678 /nfs/dbraw/zinc/37/46/78/1062374678.db2.gz CGKFMALMFJYGOG-NRFANRHFSA-N 0 3 489.709 2.550 20 0 JFADHN CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001287124858 1062384183 /nfs/dbraw/zinc/38/41/83/1062384183.db2.gz WDNUZLATQPEOEZ-IEBWSBKVSA-N 0 3 460.648 2.887 20 0 JFADHN CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001287125063 1062385240 /nfs/dbraw/zinc/38/52/40/1062385240.db2.gz ZLFNJXRKMRTTNT-HXUWFJFHSA-N 0 3 472.609 2.794 20 0 JFADHN CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001294799480 1062440652 /nfs/dbraw/zinc/44/06/52/1062440652.db2.gz GEXWJMPUIPDZGJ-YPAWHYETSA-N 0 3 454.619 2.828 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](CC(C)C)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001290624606 1062490365 /nfs/dbraw/zinc/49/03/65/1062490365.db2.gz CVECDNFYLQFZOI-XZOQPEGZSA-N 0 3 484.693 2.955 20 0 JFADHN CCCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001294815225 1062494377 /nfs/dbraw/zinc/49/43/77/1062494377.db2.gz JPMCQMHPCKVUQF-QHCPKHFHSA-N 0 3 454.619 2.620 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCN(C(C)(C)C)CC3)n2CC(=O)Nc2ccc(F)cc2)n1 ZINC001290642396 1062532535 /nfs/dbraw/zinc/53/25/35/1062532535.db2.gz ZFXBNNWBIQYTHE-UHFFFAOYSA-N 0 3 468.581 2.838 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCN(C(C)(C)C)CC3)n2CCCOC[C@H]2CCOC2)n1 ZINC001290642263 1062532653 /nfs/dbraw/zinc/53/26/53/1062532653.db2.gz YDAMBBDKYGUFDS-OAQYLSRUSA-N 0 3 459.639 2.503 20 0 JFADHN CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001287155909 1062541859 /nfs/dbraw/zinc/54/18/59/1062541859.db2.gz GDIOWISYCVYVOB-LJQANCHMSA-N 0 3 491.681 2.984 20 0 JFADHN CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001287156922 1062545833 /nfs/dbraw/zinc/54/58/33/1062545833.db2.gz RVEYFBMEJANXBH-CTNGQTDRSA-N 0 3 460.648 2.864 20 0 JFADHN CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001287156923 1062545871 /nfs/dbraw/zinc/54/58/71/1062545871.db2.gz RVEYFBMEJANXBH-FPOVZHCZSA-N 0 3 460.648 2.864 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCN2CCN(C)C(C)(C)C2)n1 ZINC001290653500 1062551859 /nfs/dbraw/zinc/55/18/59/1062551859.db2.gz RHTVRLLIOGYGNZ-VQIMIIECSA-N 0 3 482.599 2.800 20 0 JFADHN CC(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnccn1)N1CCCC1 ZINC001287159327 1062555526 /nfs/dbraw/zinc/55/55/26/1062555526.db2.gz YSNZMHRNFRKRON-QFIPXVFZSA-N 0 3 483.642 2.895 20 0 JFADHN CCCNC(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001294863049 1062570785 /nfs/dbraw/zinc/57/07/85/1062570785.db2.gz INAMRNWVNUDVSP-GOSISDBHSA-N 0 3 460.648 2.536 20 0 JFADHN CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001287164622 1062574574 /nfs/dbraw/zinc/57/45/74/1062574574.db2.gz LIDUBWHJQBHILU-VAMGGRTRSA-N 0 3 453.653 2.654 20 0 JFADHN CC(C)c1csc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCC3)CC2)n1 ZINC001287167558 1062580296 /nfs/dbraw/zinc/58/02/96/1062580296.db2.gz UBVLNPQMNRFPDZ-MRXNPFEDSA-N 0 3 481.692 2.581 20 0 JFADHN CC(C)c1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)(C)C)CC2)cs1 ZINC001287170643 1062586529 /nfs/dbraw/zinc/58/65/29/1062586529.db2.gz SEIIXPYCYQVNBO-INIZCTEOSA-N 0 3 483.708 2.631 20 0 JFADHN CC(C)c1ncc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCC2)cn1 ZINC001287173178 1062595030 /nfs/dbraw/zinc/59/50/30/1062595030.db2.gz HULYDZNAXIMWPQ-LJQANCHMSA-N 0 3 475.663 2.604 20 0 JFADHN CC(C)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CCN(C)CC(F)(F)F ZINC001287179321 1062603442 /nfs/dbraw/zinc/60/34/42/1062603442.db2.gz PDYIJUZURZMACE-UHFFFAOYSA-N 0 3 456.561 2.693 20 0 JFADHN CC(C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001287196980 1062629547 /nfs/dbraw/zinc/62/95/47/1062629547.db2.gz PIUWSPDRIZRMJJ-PMACEKPBSA-N 0 3 471.581 2.610 20 0 JFADHN Cc1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001290763007 1062678514 /nfs/dbraw/zinc/67/85/14/1062678514.db2.gz OEKRRGCULJOOBN-SFHVURJKSA-N 0 3 458.567 2.735 20 0 JFADHN CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001287214668 1062680717 /nfs/dbraw/zinc/68/07/17/1062680717.db2.gz PBHFMDTVWFQFDP-IRLDBZIGSA-N 0 3 453.635 2.669 20 0 JFADHN CN1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@H](c2ccccc2)C1 ZINC001290819213 1062714723 /nfs/dbraw/zinc/71/47/23/1062714723.db2.gz CWUZEUNSESDFMM-XXBNENTESA-N 0 3 456.537 2.813 20 0 JFADHN Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001290829095 1062723063 /nfs/dbraw/zinc/72/30/63/1062723063.db2.gz QVEYQHBACGURCX-DNQXCXABSA-N 0 3 468.646 2.866 20 0 JFADHN Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001290852208 1062736940 /nfs/dbraw/zinc/73/69/40/1062736940.db2.gz JERZRTGZMTWJAP-UHFFFAOYSA-N 0 3 454.619 2.694 20 0 JFADHN CCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)cn1 ZINC001294969384 1062751632 /nfs/dbraw/zinc/75/16/32/1062751632.db2.gz UYZBXZXRPSCTDE-MOPGFXCFSA-N 0 3 455.607 2.552 20 0 JFADHN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC001294973378 1062757016 /nfs/dbraw/zinc/75/70/16/1062757016.db2.gz GBLRUILVKFRXAJ-UHFFFAOYSA-N 0 3 457.596 2.992 20 0 JFADHN Cc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC001290872044 1062758489 /nfs/dbraw/zinc/75/84/89/1062758489.db2.gz PXVVLBCUIQEUGV-OALUTQOASA-N 0 3 465.568 2.870 20 0 JFADHN C[C@@H](C(=O)Nc1cccc(CN2CCC(CO)CC2)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001294974122 1062758618 /nfs/dbraw/zinc/75/86/18/1062758618.db2.gz PROLINXOAGUUFF-GOSISDBHSA-N 0 3 459.612 2.883 20 0 JFADHN Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC001290898287 1062771727 /nfs/dbraw/zinc/77/17/27/1062771727.db2.gz VOSUCGGFFUQLJT-PZJWPPBQSA-N 0 3 469.634 2.901 20 0 JFADHN CCCO[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCC2)CC1 ZINC001295001782 1062787727 /nfs/dbraw/zinc/78/77/27/1062787727.db2.gz GUQJAYWMCSBAJZ-PWRODBHTSA-N 0 3 467.680 2.698 20 0 JFADHN CCCO[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCC2)CC1 ZINC001295001781 1062787792 /nfs/dbraw/zinc/78/77/92/1062787792.db2.gz GUQJAYWMCSBAJZ-PCCBWWKXSA-N 0 3 467.680 2.698 20 0 JFADHN CN1CCN(Cc2ccc(CNC(=O)CCCOc3ccc4c(c3)CCC(=O)N4)cc2)CC1 ZINC001290916448 1062791223 /nfs/dbraw/zinc/79/12/23/1062791223.db2.gz PBSNOUSFQGCQKH-UHFFFAOYSA-N 0 3 450.583 2.794 20 0 JFADHN Cc1noc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCN3CCCC(C)(C)C3)C2)n1 ZINC001290943789 1062817281 /nfs/dbraw/zinc/81/72/81/1062817281.db2.gz LTDHTKFQULABBW-SFHVURJKSA-N 0 3 458.611 2.614 20 0 JFADHN CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1)[NH+](C)C ZINC001287341522 1062819257 /nfs/dbraw/zinc/81/92/57/1062819257.db2.gz OGLAAZAEXYPNDQ-RBBKRZOGSA-N 0 3 470.618 2.774 20 0 JFADHN CC(C)Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001287403582 1062846700 /nfs/dbraw/zinc/84/67/00/1062846700.db2.gz OBTJWRHKXXWLPK-HXOBKFHXSA-N 0 3 473.647 2.656 20 0 JFADHN CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001295045792 1062847841 /nfs/dbraw/zinc/84/78/41/1062847841.db2.gz CIKIIUSLZDMTBU-GOSISDBHSA-N 0 3 450.628 2.781 20 0 JFADHN CC(C)Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001287413485 1062852247 /nfs/dbraw/zinc/85/22/47/1062852247.db2.gz LUNVKWQSTOJSHY-NRFANRHFSA-N 0 3 480.654 2.684 20 0 JFADHN CC(C)Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCN(C)CC(F)(F)F ZINC001287417855 1062855715 /nfs/dbraw/zinc/85/57/15/1062855715.db2.gz FMZRZJSSTYDTTA-LJQANCHMSA-N 0 3 459.605 2.575 20 0 JFADHN C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)nc2)n1CCN(C)Cc1ccc(F)cc1 ZINC001290976961 1062859173 /nfs/dbraw/zinc/85/91/73/1062859173.db2.gz WNBPOHUITAVBIX-INIZCTEOSA-N 0 3 471.968 2.932 20 0 JFADHN CC(C)O[C@]1(c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCOC1 ZINC001291002501 1062899837 /nfs/dbraw/zinc/89/98/37/1062899837.db2.gz VMINUOSMSZRGNO-UXGLMHHASA-N 0 3 490.693 2.744 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCc1ccc(F)c(F)c1 ZINC001287462880 1062903029 /nfs/dbraw/zinc/90/30/29/1062903029.db2.gz UDZGBHUBVPNJJD-NRFANRHFSA-N 0 3 460.573 2.740 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001287462909 1062904696 /nfs/dbraw/zinc/90/46/96/1062904696.db2.gz VAYXGTBREFGMHD-SQJMNOBHSA-N 0 3 489.064 2.781 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001287463425 1062905508 /nfs/dbraw/zinc/90/55/08/1062905508.db2.gz ZSTPUTUBXAOLKB-HXUWFJFHSA-N 0 3 454.619 2.877 20 0 JFADHN COC(=O)C1CCC(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)(C(=O)OC)CC1 ZINC001295081242 1062913337 /nfs/dbraw/zinc/91/33/37/1062913337.db2.gz BFJUCBVMCTXZQN-DKTYTTGXSA-N 0 3 452.498 2.535 20 0 JFADHN CCN(C)C(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001295083329 1062914426 /nfs/dbraw/zinc/91/44/26/1062914426.db2.gz ABIPBHVYUKNSPO-UHFFFAOYSA-N 0 3 472.634 2.902 20 0 JFADHN C[C@@H]1C[C@H](C)CN(CCCn2c([C@H]3CCCOC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291013140 1062918802 /nfs/dbraw/zinc/91/88/02/1062918802.db2.gz JPASYQQZQVQULV-LNRXMEIDSA-N 0 3 481.707 2.944 20 0 JFADHN CC(C)Cc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001287471665 1062920354 /nfs/dbraw/zinc/92/03/54/1062920354.db2.gz NHCRFGBRQYVNIY-QFIPXVFZSA-N 0 3 494.619 2.739 20 0 JFADHN C[C@@H]1C[C@H](C)CN(CCCn2c(COc3ccccc3F)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291015165 1062924915 /nfs/dbraw/zinc/92/49/15/1062924915.db2.gz NDSNKSMISZUPFB-HSALFYBXSA-N 0 3 493.649 2.988 20 0 JFADHN C[C@@H]1C[C@@H](C)CN(CCCn2c(CCOc3ccccc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001291014950 1062925241 /nfs/dbraw/zinc/92/52/41/1062925241.db2.gz KTWDBONTRAAKEX-XPNTWCBSSA-N 0 3 489.686 2.891 20 0 JFADHN C[C@@H]1C[C@@H](C)CN(CCCn2c(COc3ccc(F)cc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001291015209 1062926014 /nfs/dbraw/zinc/92/60/14/1062926014.db2.gz NVSRDMXNRBMTMY-RTBURBONSA-N 0 3 479.622 2.599 20 0 JFADHN CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001295152831 1062973380 /nfs/dbraw/zinc/97/33/80/1062973380.db2.gz SPFBHDASSZMGBN-IMSXRSKXSA-N 0 3 497.706 2.597 20 0 JFADHN C[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001291048479 1062977882 /nfs/dbraw/zinc/97/78/82/1062977882.db2.gz RUXXDKCXUDGTQT-XMGTWHOFSA-N 0 3 490.674 2.539 20 0 JFADHN CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295166093 1062990345 /nfs/dbraw/zinc/99/03/45/1062990345.db2.gz DGUSHSKLFREICM-MJGOQNOKSA-N 0 3 482.050 2.961 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1C[C@](C)(O)c1ccco1 ZINC001291061290 1062997123 /nfs/dbraw/zinc/99/71/23/1062997123.db2.gz GECIOHHLXRKEST-MORLXBONSA-N 0 3 458.607 2.618 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1CC(=O)NC1CCCCC1 ZINC001291061630 1062997738 /nfs/dbraw/zinc/99/77/38/1062997738.db2.gz SUYTYLQGPPHJKF-UHFFFAOYSA-N 0 3 473.666 2.566 20 0 JFADHN C[C@H]1CCC[C@](Cn2c(COc3ccccc3F)nnc2N2CCS(=O)(=O)CC2)(N(C)C)C1 ZINC001291067860 1063014853 /nfs/dbraw/zinc/01/48/53/1063014853.db2.gz GNVKMIBTLCAQRK-MBSDFSHPSA-N 0 3 479.622 2.742 20 0 JFADHN CC(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001287717199 1063048542 /nfs/dbraw/zinc/04/85/42/1063048542.db2.gz SKBTUDKVCGJJTN-LJQANCHMSA-N 0 3 462.545 2.945 20 0 JFADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001291090256 1063049505 /nfs/dbraw/zinc/04/95/05/1063049505.db2.gz SMAGJTYQYPSWQI-FUHIMQAGSA-N 0 3 466.627 2.957 20 0 JFADHN CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295229552 1063052233 /nfs/dbraw/zinc/05/22/33/1063052233.db2.gz YRMWXCGYBSDZIC-YADHBBJMSA-N 0 3 474.675 2.645 20 0 JFADHN CCN(c1nnc(CCc2ccccc2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295241017 1063060776 /nfs/dbraw/zinc/06/07/76/1063060776.db2.gz WYLWQERXIHELNP-NRFANRHFSA-N 0 3 459.660 2.951 20 0 JFADHN CCN(c1nnc(CCc2ccccc2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295241018 1063060976 /nfs/dbraw/zinc/06/09/76/1063060976.db2.gz WYLWQERXIHELNP-OAQYLSRUSA-N 0 3 459.660 2.951 20 0 JFADHN C[C@H]1CCCCN1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnn(C)c1 ZINC001291097882 1063061233 /nfs/dbraw/zinc/06/12/33/1063061233.db2.gz DJAYOXIZGHAOOH-IBGZPJMESA-N 0 3 485.658 2.983 20 0 JFADHN C[C@@H]1CCCCN1CCCn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001291099232 1063064654 /nfs/dbraw/zinc/06/46/54/1063064654.db2.gz DGBCHFMPDBFOHR-MJGOQNOKSA-N 0 3 451.662 2.818 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ncccc2N(C)C)CC1 ZINC001287749849 1063074429 /nfs/dbraw/zinc/07/44/29/1063074429.db2.gz JJVYFFNIRTWHOU-VWLOTQADSA-N 0 3 471.650 2.606 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001287751516 1063077633 /nfs/dbraw/zinc/07/76/33/1063077633.db2.gz XNIWCKNIEDAWRH-ULQDDVLXSA-N 0 3 480.601 2.960 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccc(F)cc3)C2)CC1 ZINC001287751786 1063078834 /nfs/dbraw/zinc/07/88/34/1063078834.db2.gz ZEYNSMYAOIQFOY-CUWPLCDZSA-N 0 3 478.638 2.924 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001287751653 1063079012 /nfs/dbraw/zinc/07/90/12/1063079012.db2.gz YCRPHENRZOLGSR-KOSHJBKYSA-N 0 3 458.582 2.814 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3ccccc3Br)n2CCC(=O)N(C)C)CC1 ZINC001287761293 1063086606 /nfs/dbraw/zinc/08/66/06/1063086606.db2.gz SUWHOIRUBOANLB-UHFFFAOYSA-N 0 3 463.424 2.964 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001287762586 1063089011 /nfs/dbraw/zinc/08/90/11/1063089011.db2.gz UJICQYROZDBFOA-UHFFFAOYSA-N 0 3 458.611 2.816 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCNC(=O)OC(C)(C)C)CC1 ZINC001287763078 1063090067 /nfs/dbraw/zinc/09/00/67/1063090067.db2.gz YQOFNOAPJDCJKI-UHFFFAOYSA-N 0 3 489.621 2.699 20 0 JFADHN CC(C)CN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@](C)(O)C(C)C)CC1 ZINC001287767481 1063091433 /nfs/dbraw/zinc/09/14/33/1063091433.db2.gz FUOKLPUXDOOAIZ-RUZDIDTESA-N 0 3 470.666 2.637 20 0 JFADHN CCN(C1CCN(c2nnc(C3CC3)n2C[C@H](c2ccccc2)N(C)C)CC1)S(C)(=O)=O ZINC001295269403 1063091679 /nfs/dbraw/zinc/09/16/79/1063091679.db2.gz IHWNVHWXMQHQMN-OAQYLSRUSA-N 0 3 460.648 2.709 20 0 JFADHN CCN(C1CCN(c2nnc(CC3CC3)n2C[C@@H](c2cccs2)N(C)C)CC1)S(C)(=O)=O ZINC001295272430 1063097186 /nfs/dbraw/zinc/09/71/86/1063097186.db2.gz BIDMWHREWBQGBR-IBGZPJMESA-N 0 3 480.704 2.845 20 0 JFADHN C[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCOCC2)C1 ZINC001291112160 1063113560 /nfs/dbraw/zinc/11/35/60/1063113560.db2.gz GGKPXSZTVPMHEL-GOSISDBHSA-N 0 3 461.632 2.696 20 0 JFADHN C[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001291117661 1063122359 /nfs/dbraw/zinc/12/23/59/1063122359.db2.gz HYFTWNSUQAFAOJ-CEMLEFRQSA-N 0 3 490.674 2.540 20 0 JFADHN C[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001291117662 1063122403 /nfs/dbraw/zinc/12/24/03/1063122403.db2.gz HYFTWNSUQAFAOJ-FCEUIQTBSA-N 0 3 490.674 2.540 20 0 JFADHN C[C@H]1CCCN1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCO1 ZINC001291135422 1063187818 /nfs/dbraw/zinc/18/78/18/1063187818.db2.gz BDWLAOBXOODMPJ-FXAWDEMLSA-N 0 3 461.010 2.961 20 0 JFADHN C[C@@H]1CCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001291135510 1063187855 /nfs/dbraw/zinc/18/78/55/1063187855.db2.gz CWSJXBRCPGUUGA-MOPGFXCFSA-N 0 3 498.632 2.855 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@H](C)N1CCC(C)CC1 ZINC001291140672 1063210931 /nfs/dbraw/zinc/21/09/31/1063210931.db2.gz BYOBPLQQQBPZSL-VQTJNVASSA-N 0 3 491.681 2.982 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCO[C@H](COc3ccccc3)C2)n1C[C@H](C)N1CCC(C)CC1 ZINC001291140960 1063212455 /nfs/dbraw/zinc/21/24/55/1063212455.db2.gz HANNVJOSHSELOE-GMAHTHKFSA-N 0 3 484.645 2.821 20 0 JFADHN C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(CCO)Cc1ccccc1)N1CCC(C)CC1 ZINC001291141155 1063213680 /nfs/dbraw/zinc/21/36/80/1063213680.db2.gz JJKTUUAXXJDJSU-OAQYLSRUSA-N 0 3 454.619 2.633 20 0 JFADHN CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001295336178 1063256545 /nfs/dbraw/zinc/25/65/45/1063256545.db2.gz NPLNGMCASHNMKH-QHCPKHFHSA-N 0 3 496.635 2.706 20 0 JFADHN CC1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001291181155 1063274254 /nfs/dbraw/zinc/27/42/54/1063274254.db2.gz ZFYMRHGZEMFSEN-PMACEKPBSA-N 0 3 467.680 2.696 20 0 JFADHN CC1CCN(CCCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001291182521 1063277813 /nfs/dbraw/zinc/27/78/13/1063277813.db2.gz PTLLYUWKLSJXQW-PMACEKPBSA-N 0 3 453.653 2.655 20 0 JFADHN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CCN1CCC(C)CC1 ZINC001291183239 1063280461 /nfs/dbraw/zinc/28/04/61/1063280461.db2.gz LABMIQDNZXXMJE-LJQANCHMSA-N 0 3 490.674 2.749 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001295369296 1063334205 /nfs/dbraw/zinc/33/42/05/1063334205.db2.gz CMABGKFYJBIAAH-JPYJTQIMSA-N 0 3 461.632 2.699 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001295380325 1063353097 /nfs/dbraw/zinc/35/30/97/1063353097.db2.gz PKZIDUMLIKBCPA-HMFYCAOWSA-N 0 3 455.669 2.552 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001295380437 1063353224 /nfs/dbraw/zinc/35/32/24/1063353224.db2.gz QDCBJDFKTFVRMA-LAUBAEHRSA-N 0 3 477.631 2.534 20 0 JFADHN C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCCCC2)C[C@H](C)O1 ZINC001291199471 1063353576 /nfs/dbraw/zinc/35/35/76/1063353576.db2.gz OBIPDCYMEUIIIC-HDICACEKSA-N 0 3 461.010 2.961 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001295382210 1063354879 /nfs/dbraw/zinc/35/48/79/1063354879.db2.gz ZGHPKEGILLSYAO-CVEARBPZSA-N 0 3 455.575 2.501 20 0 JFADHN CCN(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)c1ccco1 ZINC001295390976 1063372153 /nfs/dbraw/zinc/37/21/53/1063372153.db2.gz CKSZABZSPSVVRG-KRWDZBQOSA-N 0 3 457.579 2.598 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cnccn1)c1ccsc1 ZINC001295398012 1063385065 /nfs/dbraw/zinc/38/50/65/1063385065.db2.gz AGWAZIFGIMJRTJ-RTBURBONSA-N 0 3 454.604 2.800 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)NC)CC1)c1ccsc1 ZINC001295405040 1063392517 /nfs/dbraw/zinc/39/25/17/1063392517.db2.gz OJDPOGROIKHURC-RTBURBONSA-N 0 3 461.636 2.736 20 0 JFADHN CCN(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(C)C(=O)C1)c1ccsc1 ZINC001295405777 1063395113 /nfs/dbraw/zinc/39/51/13/1063395113.db2.gz IGQWOYYGXSCTPC-HXUWFJFHSA-N 0 3 453.616 2.687 20 0 JFADHN CCN(CC)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)NC)CC1)c1ccco1 ZINC001295407058 1063397673 /nfs/dbraw/zinc/39/76/73/1063397673.db2.gz PBCQIEDHCBPEDO-ICSRJNTNSA-N 0 3 459.595 2.657 20 0 JFADHN CCN(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccco1 ZINC001295407706 1063399972 /nfs/dbraw/zinc/39/99/72/1063399972.db2.gz XOXVYFWFBBMZDI-LEWJYISDSA-N 0 3 458.607 2.953 20 0 JFADHN CC(C)N1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001291215771 1063430621 /nfs/dbraw/zinc/43/06/21/1063430621.db2.gz VNKJIZCNAQXBSU-RBUKOAKNSA-N 0 3 461.632 2.694 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC001295479245 1063487633 /nfs/dbraw/zinc/48/76/33/1063487633.db2.gz CKODHGUZZBSMOC-UHFFFAOYSA-N 0 3 496.635 2.939 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(N(C)C)c2)CC1 ZINC001295479630 1063488255 /nfs/dbraw/zinc/48/82/55/1063488255.db2.gz HGFQKEUVZYTNQV-UHFFFAOYSA-N 0 3 455.651 2.680 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C)c2)CC1 ZINC001295480027 1063489647 /nfs/dbraw/zinc/48/96/47/1063489647.db2.gz KIUDTKIJEWOERD-MHZLTWQESA-N 0 3 498.672 2.666 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC(C)(C)O)CC1 ZINC001295481867 1063494919 /nfs/dbraw/zinc/49/49/19/1063494919.db2.gz BMBYQGXFJJSYKS-UHFFFAOYSA-N 0 3 479.629 2.645 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC[C@@H]2CCOC2)CC1 ZINC001295482151 1063496856 /nfs/dbraw/zinc/49/68/56/1063496856.db2.gz DUPBLNMXQOGMNV-OAQYLSRUSA-N 0 3 454.619 2.671 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2Cc2occc2C)CC1 ZINC001295482304 1063499017 /nfs/dbraw/zinc/49/90/17/1063499017.db2.gz JBXOJZHHAGNPMS-UHFFFAOYSA-N 0 3 466.586 2.894 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CC(=O)Nc2ccc(F)cc2)CC1 ZINC001295482385 1063500994 /nfs/dbraw/zinc/50/09/94/1063500994.db2.gz MAJVHEOVFZCGCH-UHFFFAOYSA-N 0 3 497.575 2.615 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2csc(C)c2)CC1 ZINC001295482442 1063501472 /nfs/dbraw/zinc/50/14/72/1063501472.db2.gz OHUBVKFIFYQOAH-UHFFFAOYSA-N 0 3 453.616 2.749 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2C[C@@H]2C)CC1 ZINC001295482718 1063504991 /nfs/dbraw/zinc/50/49/91/1063504991.db2.gz YJEONSHAEINALY-RBUKOAKNSA-N 0 3 470.618 2.609 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(F)cc2C)CC1 ZINC001295483096 1063507271 /nfs/dbraw/zinc/50/72/71/1063507271.db2.gz BTUKUXOQZJWFMB-QFIPXVFZSA-N 0 3 486.636 2.853 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@H](SC)C(C)(C)C)CC1 ZINC001295483461 1063507963 /nfs/dbraw/zinc/50/79/63/1063507963.db2.gz FLXUWZAQLMBCQU-LJQANCHMSA-N 0 3 474.679 2.503 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)c2cccc(OC)c2)CC1 ZINC001295484323 1063509813 /nfs/dbraw/zinc/50/98/13/1063509813.db2.gz MDTMMYVXLWQTAQ-OAQYLSRUSA-N 0 3 498.672 2.759 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(Cl)s2)CC1 ZINC001295484345 1063510692 /nfs/dbraw/zinc/51/06/92/1063510692.db2.gz MWPCBZTXVQBYLW-UHFFFAOYSA-N 0 3 491.065 2.627 20 0 JFADHN C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)N(C)C)CCN1CC(F)(F)F ZINC001291241790 1063513806 /nfs/dbraw/zinc/51/38/06/1063513806.db2.gz SPDDECAXAMUECV-NEWSRXKRSA-N 0 3 479.551 2.605 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccnc2)C(C)C)CC1 ZINC001295485525 1063514260 /nfs/dbraw/zinc/51/42/60/1063514260.db2.gz XQTKZEIOPPRQFZ-HSZRJFAPSA-N 0 3 493.660 2.504 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(C)CCOCC2)CC1 ZINC001295490903 1063519503 /nfs/dbraw/zinc/51/95/03/1063519503.db2.gz IPJOLZOOPIYRNL-UHFFFAOYSA-N 0 3 498.672 2.973 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ncccc2C)CC1 ZINC001295491061 1063521146 /nfs/dbraw/zinc/52/11/46/1063521146.db2.gz OPLULSIFMBPACZ-UHFFFAOYSA-N 0 3 495.603 2.738 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2OCCC2(C)C)CC1 ZINC001295491067 1063521360 /nfs/dbraw/zinc/52/13/60/1063521360.db2.gz OWIZIGQDGFFGDK-HSZRJFAPSA-N 0 3 498.672 2.683 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2Cc2ccc(Cl)s2)CC1 ZINC001295491252 1063521629 /nfs/dbraw/zinc/52/16/29/1063521629.db2.gz QZWFAYDSKIJUCS-UHFFFAOYSA-N 0 3 451.040 2.984 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(F)c2)CC1 ZINC001295491540 1063522360 /nfs/dbraw/zinc/52/23/60/1063522360.db2.gz TWXBLYAGGRQADS-UHFFFAOYSA-N 0 3 485.633 2.812 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001295564251 1063597432 /nfs/dbraw/zinc/59/74/32/1063597432.db2.gz SIVOQGMTNYGUEY-PLMTUMEDSA-N 0 3 497.612 2.767 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001295564229 1063597466 /nfs/dbraw/zinc/59/74/66/1063597466.db2.gz SDJKCJWGZGDCNM-FGZHOGPDSA-N 0 3 488.702 2.854 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001295566898 1063601103 /nfs/dbraw/zinc/60/11/03/1063601103.db2.gz WXOIPOYLFQLCMW-UYAOXDASSA-N 0 3 490.674 2.602 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001295569657 1063604195 /nfs/dbraw/zinc/60/41/95/1063604195.db2.gz VBCAJJXSTXMKDH-TZIWHRDSSA-N 0 3 487.674 2.650 20 0 JFADHN CCN(Cc1cnn(C)c1)c1nnc(-c2ccccc2F)n1CCN1CCN(C)C(C)(C)C1 ZINC001295656665 1063699485 /nfs/dbraw/zinc/69/94/85/1063699485.db2.gz IOBGZWPVCMTGFT-UHFFFAOYSA-N 0 3 454.598 2.870 20 0 JFADHN CCN(C[C@H]1CCCO1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001295713669 1063731866 /nfs/dbraw/zinc/73/18/66/1063731866.db2.gz GZZCQMWPTLQBBY-DHIUTWEWSA-N 0 3 484.645 2.713 20 0 JFADHN C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001291322893 1063768434 /nfs/dbraw/zinc/76/84/34/1063768434.db2.gz BVAQSJDMRNVIEK-SBUREZEXSA-N 0 3 464.010 2.971 20 0 JFADHN CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001291341247 1063820499 /nfs/dbraw/zinc/82/04/99/1063820499.db2.gz ZYBNYKGRSIGGAV-AEFFLSMTSA-N 0 3 454.604 2.595 20 0 JFADHN CCN(CCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1)CCC(F)(F)F ZINC001295824872 1063832734 /nfs/dbraw/zinc/83/27/34/1063832734.db2.gz JYPQFUQPWPQMQS-QGZVFWFLSA-N 0 3 482.507 2.869 20 0 JFADHN CCN(CCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1)CCC(F)(F)F ZINC001295824867 1063832819 /nfs/dbraw/zinc/83/28/19/1063832819.db2.gz JYPQFUQPWPQMQS-KRWDZBQOSA-N 0 3 482.507 2.869 20 0 JFADHN CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001291344970 1063835673 /nfs/dbraw/zinc/83/56/73/1063835673.db2.gz NTMGBXBYIBASCR-NZQKXSOJSA-N 0 3 485.652 2.529 20 0 JFADHN CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1)C(C)C ZINC001295827080 1063835961 /nfs/dbraw/zinc/83/59/61/1063835961.db2.gz KRDQUNDRNMTPFY-GOSISDBHSA-N 0 3 489.564 2.846 20 0 JFADHN CCN(CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](COC)C1)CCC(F)(F)F ZINC001295834147 1063850107 /nfs/dbraw/zinc/85/01/07/1063850107.db2.gz RBHQUZVKTJNBNV-KRWDZBQOSA-N 0 3 485.507 2.800 20 0 JFADHN CCN(CCn1c(-c2cnccn2)nnc1N(C)CC1COC(C)(C)OC1)CCC(F)(F)F ZINC001295842147 1063862212 /nfs/dbraw/zinc/86/22/12/1063862212.db2.gz UDWPGPIFSTZXTB-UHFFFAOYSA-N 0 3 471.528 2.845 20 0 JFADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Br)o1)C(C)C ZINC001295850957 1063874718 /nfs/dbraw/zinc/87/47/18/1063874718.db2.gz ANAYKKFYADRJEZ-HNNXBMFYSA-N 0 3 488.452 2.902 20 0 JFADHN CC[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001291361548 1063875102 /nfs/dbraw/zinc/87/51/02/1063875102.db2.gz OMFOHHGHWQUWHU-HXOBKFHXSA-N 0 3 465.545 2.866 20 0 JFADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COc2ccccc2)C1)C(C)C ZINC001295852622 1063877389 /nfs/dbraw/zinc/87/73/89/1063877389.db2.gz KAZSSPOXNCXDTM-NHCUHLMSSA-N 0 3 475.659 2.816 20 0 JFADHN CCN(CCn1c(CC2CC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)C(=O)OC(C)(C)C ZINC001295861635 1063894046 /nfs/dbraw/zinc/89/40/46/1063894046.db2.gz FAXCZCOAMXEZAO-FQEVSTJZSA-N 0 3 462.639 2.646 20 0 JFADHN CCn1cc([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)N(C)Cc3ccccc3)CCO2)cn1 ZINC001295896759 1063950180 /nfs/dbraw/zinc/95/01/80/1063950180.db2.gz KDQVSEHMATWWCN-OFNKIYASSA-N 0 3 494.644 2.731 20 0 JFADHN CC[C@H](C)[C@@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001291400059 1063959845 /nfs/dbraw/zinc/95/98/45/1063959845.db2.gz SRXNHUYDHDZRBJ-FNZWTVRRSA-N 0 3 486.636 2.550 20 0 JFADHN CC[C@H](C)[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001291403111 1063967387 /nfs/dbraw/zinc/96/73/87/1063967387.db2.gz GTBGQAJBUHNNAN-HMHJJOSWSA-N 0 3 473.666 2.626 20 0 JFADHN CCn1cc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@H](C)C[C@H](C)C2)cn1 ZINC001295915304 1063967364 /nfs/dbraw/zinc/96/73/64/1063967364.db2.gz MTKNBSDCNTYMAX-SVFBPWRDSA-N 0 3 491.706 2.790 20 0 JFADHN CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001291403360 1063968626 /nfs/dbraw/zinc/96/86/26/1063968626.db2.gz JZFRESCWWXOAIE-WXVAWEFUSA-N 0 3 498.672 2.707 20 0 JFADHN CCn1cnnc1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(C)C)CC1 ZINC001295956257 1064007232 /nfs/dbraw/zinc/00/72/32/1064007232.db2.gz XMXSKGQTVASZBZ-GOSISDBHSA-N 0 3 456.570 2.995 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN2CCOCC2)C[C@@H]1C ZINC001295975475 1064019345 /nfs/dbraw/zinc/01/93/45/1064019345.db2.gz DJYREEHEWZOTMJ-VQTJNVASSA-N 0 3 472.634 2.604 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3[nH]c(C)cc3c2)C[C@H]1C ZINC001295976389 1064022011 /nfs/dbraw/zinc/02/20/11/1064022011.db2.gz CKBJWGZSMVVZAZ-SQNIBIBYSA-N 0 3 473.647 2.645 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@H]2C)C[C@H]1C ZINC001295977863 1064025143 /nfs/dbraw/zinc/02/51/43/1064025143.db2.gz QGRKKPLZRVDKAD-IXDOHACOSA-N 0 3 480.455 2.675 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccn(C)n2)C[C@H]1C ZINC001295978697 1064026022 /nfs/dbraw/zinc/02/60/22/1064026022.db2.gz SOTOZSSCSKPMMB-IAGOWNOFSA-N 0 3 469.590 2.672 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccn(C)n2)C[C@H]1C ZINC001295978703 1064026100 /nfs/dbraw/zinc/02/61/00/1064026100.db2.gz SOTOZSSCSKPMMB-SJORKVTESA-N 0 3 469.590 2.672 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC001295978757 1064026482 /nfs/dbraw/zinc/02/64/82/1064026482.db2.gz LAPPRNJWDGJCRV-BCQCSXDESA-N 0 3 498.672 2.976 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)c2ccc(C)cc2)C[C@H]1C ZINC001295978767 1064026551 /nfs/dbraw/zinc/02/65/51/1064026551.db2.gz LAPPRNJWDGJCRV-VHSZZVNMSA-N 0 3 498.672 2.976 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)C[C@H]1C ZINC001295980172 1064029459 /nfs/dbraw/zinc/02/94/59/1064029459.db2.gz QVMDUSVTEUKKIL-BHIFYINESA-N 0 3 497.688 2.604 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3cc(C)ccc23)C[C@H]1C ZINC001295980707 1064031019 /nfs/dbraw/zinc/03/10/19/1064031019.db2.gz PRZBTTOQBBNWPV-CEXWTWQISA-N 0 3 487.674 2.840 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3cc(C)ccc23)C[C@@H]1C ZINC001295980709 1064031048 /nfs/dbraw/zinc/03/10/48/1064031048.db2.gz PRZBTTOQBBNWPV-FHWLQOOXSA-N 0 3 487.674 2.840 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCc2ccccc2)C[C@@H]1C ZINC001295981349 1064032087 /nfs/dbraw/zinc/03/20/87/1064032087.db2.gz RJPVOENBXIXXLU-SLFFLAALSA-N 0 3 462.664 2.830 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC(=O)Nc1ccc(F)cc1 ZINC001291470772 1064032052 /nfs/dbraw/zinc/03/20/52/1064032052.db2.gz VDTDPMWOSWCFPN-YCRNBWNJSA-N 0 3 499.635 2.948 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2c(C)cccc2C)C[C@H]1C ZINC001295981814 1064033249 /nfs/dbraw/zinc/03/32/49/1064033249.db2.gz SAWTXMSGNFUEBT-HSALFYBXSA-N 0 3 478.663 2.503 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)c2ccc(C)s2)C[C@@H]1C ZINC001295982143 1064033613 /nfs/dbraw/zinc/03/36/13/1064033613.db2.gz WKBPQGSGTJRQHI-HOTGVXAUSA-N 0 3 468.693 2.843 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCOCC2)C[C@H]1C ZINC001295982171 1064034192 /nfs/dbraw/zinc/03/41/92/1064034192.db2.gz WMHQQJPGWRUOBB-UXHICEINSA-N 0 3 470.618 2.608 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)C[C@H]1C ZINC001295982638 1064036142 /nfs/dbraw/zinc/03/61/42/1064036142.db2.gz XKUXDDHZAFPCNB-IAGOWNOFSA-N 0 3 490.052 2.553 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)C[C@@H]1C ZINC001295982639 1064036208 /nfs/dbraw/zinc/03/62/08/1064036208.db2.gz XKUXDDHZAFPCNB-IRXDYDNUSA-N 0 3 490.052 2.553 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)C[C@H]1C ZINC001295982640 1064036253 /nfs/dbraw/zinc/03/62/53/1064036253.db2.gz XKUXDDHZAFPCNB-SJORKVTESA-N 0 3 490.052 2.553 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCO2)C[C@@H]1C ZINC001295982797 1064036625 /nfs/dbraw/zinc/03/66/25/1064036625.db2.gz YJLJMJAPULDHCT-ABSDTBQOSA-N 0 3 461.010 2.959 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001295983156 1064036734 /nfs/dbraw/zinc/03/67/34/1064036734.db2.gz YJSLAMHKDBWRAC-IAGOWNOFSA-N 0 3 482.555 2.729 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cccc(C(=O)NC)c2)C[C@@H]1C ZINC001295983447 1064038050 /nfs/dbraw/zinc/03/80/50/1064038050.db2.gz WEZKMFRZUCDIRN-NOMHHCBYSA-N 0 3 498.672 2.840 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC001295983196 1064038417 /nfs/dbraw/zinc/03/84/17/1064038417.db2.gz YYBBHUFDDCQGOQ-RBUKOAKNSA-N 0 3 467.618 2.634 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)C[C@H]1C ZINC001295983216 1064038530 /nfs/dbraw/zinc/03/85/30/1064038530.db2.gz ZKCQJYMJTCOSAX-XQBPLPMBSA-N 0 3 497.644 2.501 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)s2)C[C@@H]1C ZINC001295983535 1064039510 /nfs/dbraw/zinc/03/95/10/1064039510.db2.gz WTQIUMDBCUNFGW-SOUVJXGZSA-N 0 3 475.084 2.765 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2SC)C[C@H]1C ZINC001295984241 1064041801 /nfs/dbraw/zinc/04/18/01/1064041801.db2.gz YITHLWMBGBKEHH-FGTMMUONSA-N 0 3 480.704 2.886 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc4cccnc43)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001295984432 1064041836 /nfs/dbraw/zinc/04/18/36/1064041836.db2.gz MRONBGSVJFPIOP-JKSUJKDBSA-N 0 3 457.529 2.794 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001295984555 1064042488 /nfs/dbraw/zinc/04/24/88/1064042488.db2.gz ZUNHNORDWFWMRD-ULQDDVLXSA-N 0 3 485.054 2.540 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@H]2COCCO2)C[C@@H]1C ZINC001295987339 1064043453 /nfs/dbraw/zinc/04/34/53/1064043453.db2.gz ZWIONJSETILBRB-BJLQDIEVSA-N 0 3 459.591 2.687 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@@H]2COCCO2)C[C@@H]1C ZINC001295987340 1064043520 /nfs/dbraw/zinc/04/35/20/1064043520.db2.gz ZWIONJSETILBRB-CMKODMSKSA-N 0 3 459.591 2.687 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCNC(=O)c2cccc(OC)c2)C[C@H]1C ZINC001295989548 1064044536 /nfs/dbraw/zinc/04/45/36/1064044536.db2.gz BNQMJPDCIGJTSF-RTBURBONSA-N 0 3 463.586 2.698 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)c2ccc(C)s2)C[C@@H]1C ZINC001295990173 1064044999 /nfs/dbraw/zinc/04/49/99/1064044999.db2.gz FGZJOXPOJXMEQL-DLBZAZTESA-N 0 3 489.671 2.607 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2COCCO2)C[C@@H]1C ZINC001295992907 1064047914 /nfs/dbraw/zinc/04/79/14/1064047914.db2.gz BKEIWXIGQWKEQT-BURNTYAHSA-N 0 3 492.665 2.727 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001295993522 1064048993 /nfs/dbraw/zinc/04/89/93/1064048993.db2.gz IJRYMAOWPSTXNQ-DLBZAZTESA-N 0 3 456.595 2.949 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)C(C)C)C[C@H]1C ZINC001295993487 1064049011 /nfs/dbraw/zinc/04/90/11/1064049011.db2.gz HVJCVUMMHRLLTK-UXHICEINSA-N 0 3 464.618 2.822 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2CC2(OCCOC)CCOCC2)C[C@@H]1C ZINC001295993554 1064049250 /nfs/dbraw/zinc/04/92/50/1064049250.db2.gz DBLDQAIIUXXABW-ACRUOGEOSA-N 0 3 465.639 2.651 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCCO3)n2CC2(OCCOC)CCOCC2)C[C@@H]1C ZINC001295993558 1064049424 /nfs/dbraw/zinc/04/94/24/1064049424.db2.gz DBLDQAIIUXXABW-PCCBWWKXSA-N 0 3 465.639 2.651 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CC(C)(C)C)n2CCNS(=O)(=O)c2ccccc2)C[C@H]1C ZINC001295994439 1064050121 /nfs/dbraw/zinc/05/01/21/1064050121.db2.gz GOVPGYPKQJILGR-MOPGFXCFSA-N 0 3 462.664 2.764 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2CCCn2cnnn2)C[C@H]1C ZINC001295995186 1064051071 /nfs/dbraw/zinc/05/10/71/1064051071.db2.gz XPZYOUDDWQOGLR-CVEARBPZSA-N 0 3 474.411 2.703 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(C)(C)O)C[C@@H]1C ZINC001295995770 1064051491 /nfs/dbraw/zinc/05/14/91/1064051491.db2.gz JKKFMJSHAIOOOT-OALUTQOASA-N 0 3 456.639 2.532 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC001295996169 1064052250 /nfs/dbraw/zinc/05/22/50/1064052250.db2.gz MPDXMUYSAGJQJW-SJORKVTESA-N 0 3 469.590 2.672 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cnccn3)n2CCc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC001295996818 1064052685 /nfs/dbraw/zinc/05/26/85/1064052685.db2.gz NSOGWSCBTBSAHP-QZTJIDSGSA-N 0 3 481.601 2.923 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CCc1cccc(C(N)=O)c1 ZINC001291503471 1064054538 /nfs/dbraw/zinc/05/45/38/1064054538.db2.gz ZDKPKKFLMOCUPA-IBGZPJMESA-N 0 3 454.619 2.682 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CC2(C(=O)N(C)C)CCCC2)C[C@@H]1C ZINC001296001197 1064057036 /nfs/dbraw/zinc/05/70/36/1064057036.db2.gz GIDYNTAKJWDSMI-PMACEKPBSA-N 0 3 453.635 2.831 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)nc2OC)C[C@@H]1C ZINC001296003665 1064059400 /nfs/dbraw/zinc/05/94/00/1064059400.db2.gz VHXROIAJGRGEDF-ZWKOTPCHSA-N 0 3 451.575 2.643 20 0 JFADHN CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CC(=O)NC1CCCCC1 ZINC001291509643 1064060951 /nfs/dbraw/zinc/06/09/51/1064060951.db2.gz HPJLKJYYZNCLKH-RBBKRZOGSA-N 0 3 459.683 2.845 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001296007632 1064061158 /nfs/dbraw/zinc/06/11/58/1064061158.db2.gz FILVQVXZZJCZOS-MOPGFXCFSA-N 0 3 466.634 2.598 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC(NC(=O)COC)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001291510950 1064062678 /nfs/dbraw/zinc/06/26/78/1064062678.db2.gz HHGLTVAATMPBOK-UWJYYQICSA-N 0 3 460.598 2.965 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001296009601 1064065365 /nfs/dbraw/zinc/06/53/65/1064065365.db2.gz HDSIVMFPBWTKHX-UXHICEINSA-N 0 3 475.659 2.909 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2nnn(C)n2)C[C@@H]1C ZINC001296009661 1064065739 /nfs/dbraw/zinc/06/57/39/1064065739.db2.gz ICJXELNFSJVYDW-OALUTQOASA-N 0 3 467.622 2.780 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCCC2)C[C@H]1C ZINC001296009802 1064067002 /nfs/dbraw/zinc/06/70/02/1064067002.db2.gz IGSKEPOUGHRQFL-QZTJIDSGSA-N 0 3 458.582 2.961 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2nnc(C)s2)C[C@@H]1C ZINC001296009810 1064067027 /nfs/dbraw/zinc/06/70/27/1064067027.db2.gz IHENTXCBQOWWQC-GJZGRUSLSA-N 0 3 474.660 2.591 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001296010012 1064067335 /nfs/dbraw/zinc/06/73/35/1064067335.db2.gz JQVQLAADWZVIHE-VQTJNVASSA-N 0 3 474.654 2.973 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001296010831 1064069662 /nfs/dbraw/zinc/06/96/62/1064069662.db2.gz MJNHCLWDAFNKMR-RTBURBONSA-N 0 3 468.577 2.971 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001296010878 1064070072 /nfs/dbraw/zinc/07/00/72/1064070072.db2.gz MZXMNDBUIYLGBC-VQTJNVASSA-N 0 3 496.660 2.898 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001296010867 1064070223 /nfs/dbraw/zinc/07/02/23/1064070223.db2.gz MYOKQDXRPVEYKO-RTBURBONSA-N 0 3 499.626 2.984 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC001296013610 1064074613 /nfs/dbraw/zinc/07/46/13/1064074613.db2.gz OIAVSHUQTYOLNI-MXBUBSDBSA-N 0 3 476.666 2.760 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296013589 1064074675 /nfs/dbraw/zinc/07/46/75/1064074675.db2.gz OEBRMOIGSFVZGX-LLINQDLYSA-N 0 3 492.709 2.809 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001296014526 1064076004 /nfs/dbraw/zinc/07/60/04/1064076004.db2.gz YCIVHOHWYKHTTD-ZWKOTPCHSA-N 0 3 473.622 2.671 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NCc2ccccc2)C[C@@H]1C ZINC001296015210 1064076764 /nfs/dbraw/zinc/07/67/64/1064076764.db2.gz ZVBQFGKTCVSMJK-FCHUYYIVSA-N 0 3 478.645 2.765 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001296017261 1064078740 /nfs/dbraw/zinc/07/87/40/1064078740.db2.gz XDNDXMMQPORKAC-MOPGFXCFSA-N 0 3 491.658 2.609 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001296017264 1064078849 /nfs/dbraw/zinc/07/88/49/1064078849.db2.gz XDNDXMMQPORKAC-RTBURBONSA-N 0 3 491.658 2.609 20 0 JFADHN CCN1CC[C@@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001296039743 1064099845 /nfs/dbraw/zinc/09/98/45/1064099845.db2.gz SUEVIDSRUWPKNZ-QUCCMNQESA-N 0 3 491.658 2.706 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)c3cc(C)oc3C)CC2)n1CCCN1CCN(CC)CC1 ZINC001291577591 1064101760 /nfs/dbraw/zinc/10/17/60/1064101760.db2.gz IWFCZECIGKZERJ-HXUWFJFHSA-N 0 3 485.677 2.991 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1csc([C@H](C)OC)n1 ZINC001291578579 1064104160 /nfs/dbraw/zinc/10/41/60/1064104160.db2.gz FHJROYUTDQCGJS-JENIJYKNSA-N 0 3 475.663 2.747 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1ccc(NC(C)=O)cc1 ZINC001291579683 1064106660 /nfs/dbraw/zinc/10/66/60/1064106660.db2.gz KHYRKLLMHVTAEZ-XMSQKQJNSA-N 0 3 467.618 2.541 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1cccc(OC)c1 ZINC001291582974 1064115407 /nfs/dbraw/zinc/11/54/07/1064115407.db2.gz OOXNGLINTQPJIJ-HXUWFJFHSA-N 0 3 454.619 2.787 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1ccc2c(c1)OCCCO2 ZINC001291583780 1064117198 /nfs/dbraw/zinc/11/71/98/1064117198.db2.gz WXUCPUQSJDWLTP-FQEVSTJZSA-N 0 3 484.645 2.992 20 0 JFADHN CCN1CCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS(=O)CC1 ZINC001296063146 1064129241 /nfs/dbraw/zinc/12/92/41/1064129241.db2.gz VJTJBZWQXGGAIQ-HNNXBMFYSA-N 0 3 470.412 2.900 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C)(c2nc(C)no2)CC1 ZINC001296073125 1064137984 /nfs/dbraw/zinc/13/79/84/1064137984.db2.gz BYMOZIJQPPPKTF-SFHVURJKSA-N 0 3 458.611 2.540 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)cc2)CC1 ZINC001296076060 1064144500 /nfs/dbraw/zinc/14/45/00/1064144500.db2.gz SIQSDSJZNQEFNR-OAQYLSRUSA-N 0 3 457.598 2.756 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](OC)C1 ZINC001296079168 1064146099 /nfs/dbraw/zinc/14/60/99/1064146099.db2.gz CMCZYRXCRKAXLA-WOJBJXKFSA-N 0 3 461.010 2.961 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(c3ccc(F)cn3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001291610788 1064148257 /nfs/dbraw/zinc/14/82/57/1064148257.db2.gz PRSWLYBBFOGAQQ-UXHICEINSA-N 0 3 458.630 2.678 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001291620880 1064160345 /nfs/dbraw/zinc/16/03/45/1064160345.db2.gz LKKHYJAJDKWFRO-FQEVSTJZSA-N 0 3 459.683 2.799 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCc1cccc(C(N)=O)c1 ZINC001291621869 1064162283 /nfs/dbraw/zinc/16/22/83/1064162283.db2.gz PZDKPSHMYYMIIN-RBUKOAKNSA-N 0 3 454.619 2.823 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CCN1CC=CCC1 ZINC001291628337 1064171136 /nfs/dbraw/zinc/17/11/36/1064171136.db2.gz BAQBJWOMJABECM-OOMBGRCJSA-N 0 3 471.694 2.870 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1C[C@H](C)CN1CCOCC1 ZINC001291632448 1064180703 /nfs/dbraw/zinc/18/07/03/1064180703.db2.gz SYCNOEGJFXAXBK-GPXNEJASSA-N 0 3 470.662 2.616 20 0 JFADHN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC001291635520 1064184187 /nfs/dbraw/zinc/18/41/87/1064184187.db2.gz USCFNNJXUDBQKE-GDBMZVCRSA-N 0 3 452.495 2.946 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001291638995 1064186570 /nfs/dbraw/zinc/18/65/70/1064186570.db2.gz LBXOGSZIGLOETM-SIKLNZKXSA-N 0 3 475.659 2.543 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001291641082 1064190502 /nfs/dbraw/zinc/19/05/02/1064190502.db2.gz WUANVPQBDAITPS-OAQYLSRUSA-N 0 3 498.672 2.856 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(CCOC)[C@@H](C)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 ZINC001291642597 1064192337 /nfs/dbraw/zinc/19/23/37/1064192337.db2.gz LPUHSATYTUDIJA-YADHBBJMSA-N 0 3 484.693 2.534 20 0 JFADHN CCN1CCCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1=O ZINC001296111896 1064192667 /nfs/dbraw/zinc/19/26/67/1064192667.db2.gz GLAYVTYOGWSAJD-HSZRJFAPSA-N 0 3 461.614 2.934 20 0 JFADHN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001296114532 1064195820 /nfs/dbraw/zinc/19/58/20/1064195820.db2.gz YQSFJCHPHKPDIE-VWNXMTODSA-N 0 3 453.558 2.624 20 0 JFADHN CCN1CCN(C(=O)CC2CCN(c3nnc(C)n3C[C@@H](c3cccc(F)c3)N(C)C)CC2)CC1 ZINC001296118957 1064202705 /nfs/dbraw/zinc/20/27/05/1064202705.db2.gz MJCXOKHXZJZSQJ-DEOSSOPVSA-N 0 3 485.652 2.799 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2CCOC[C@H]2C)CC1 ZINC001296119852 1064206336 /nfs/dbraw/zinc/20/63/36/1064206336.db2.gz BQUJEYTZECZUPF-QZTJIDSGSA-N 0 3 477.451 2.959 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H](C)OCCOC)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001296119868 1064206687 /nfs/dbraw/zinc/20/66/87/1064206687.db2.gz BULMQOZRZHGUJV-WCIQWLHISA-N 0 3 472.625 2.756 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H](C)OCCOC)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001296119869 1064206740 /nfs/dbraw/zinc/20/67/40/1064206740.db2.gz BULMQOZRZHGUJV-YRPNKDGESA-N 0 3 472.625 2.756 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296120221 1064208542 /nfs/dbraw/zinc/20/85/42/1064208542.db2.gz GIHCMCAUEWDJKE-DYXWJJEUSA-N 0 3 460.598 2.808 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296120223 1064208625 /nfs/dbraw/zinc/20/86/25/1064208625.db2.gz GIHCMCAUEWDJKE-SBHAEUEKSA-N 0 3 460.598 2.808 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC001296120553 1064210092 /nfs/dbraw/zinc/21/00/92/1064210092.db2.gz JLEBYOQEMYQGTA-FCHUYYIVSA-N 0 3 467.662 2.917 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001296121194 1064211729 /nfs/dbraw/zinc/21/17/29/1064211729.db2.gz NBSKBDSOPWGFOO-QUVATAORSA-N 0 3 497.688 2.863 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296121508 1064212796 /nfs/dbraw/zinc/21/27/96/1064212796.db2.gz PFBIWHKLAMHZKM-SFHVURJKSA-N 0 3 457.026 2.994 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCN(c3cccc(OC)c3)CC2)CC1 ZINC001296121613 1064213196 /nfs/dbraw/zinc/21/31/96/1064213196.db2.gz QQJRJLDHZNTIRJ-NRFANRHFSA-N 0 3 455.651 2.763 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CCCN1CCN(CC)CC1 ZINC001291672345 1064214091 /nfs/dbraw/zinc/21/40/91/1064214091.db2.gz QCEZFUGHMUQADB-NHCUHLMSSA-N 0 3 493.697 2.549 20 0 JFADHN 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CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001296124153 1064216663 /nfs/dbraw/zinc/21/66/63/1064216663.db2.gz FPPCLNXUPGSWED-QGZVFWFLSA-N 0 3 480.032 2.724 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001296124180 1064216774 /nfs/dbraw/zinc/21/67/74/1064216774.db2.gz FYBDUGVCPZOLGR-LJQANCHMSA-N 0 3 497.585 2.994 20 0 JFADHN CC[C@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001291682311 1064216784 /nfs/dbraw/zinc/21/67/84/1064216784.db2.gz LFCVUTDIUGHELV-FQEVSTJZSA-N 0 3 480.723 2.755 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[C@@H](OC)C2)CC1 ZINC001296124788 1064217495 /nfs/dbraw/zinc/21/74/95/1064217495.db2.gz ITHNUTRDLMBZQU-IEBWSBKVSA-N 0 3 463.026 2.858 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001296124801 1064217519 /nfs/dbraw/zinc/21/75/19/1064217519.db2.gz JDFYGJZAXQNPMJ-PMACEKPBSA-N 0 3 486.661 2.992 20 0 JFADHN 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CCN1CCN([C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001296127633 1064222112 /nfs/dbraw/zinc/22/21/12/1064222112.db2.gz VWXDPZGDNVRTED-HXUWFJFHSA-N 0 3 479.595 2.964 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296129856 1064223313 /nfs/dbraw/zinc/22/33/13/1064223313.db2.gz BZNVUJPIVSYGSX-UNMCSNQZSA-N 0 3 456.635 2.843 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N(C)Cc2ccccc2N2CCOCC2)CC1 ZINC001296130108 1064223830 /nfs/dbraw/zinc/22/38/30/1064223830.db2.gz BYYUJECRTULELH-QHCPKHFHSA-N 0 3 483.705 2.976 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001296131349 1064225097 /nfs/dbraw/zinc/22/50/97/1064225097.db2.gz JKDXLXBANAYMBN-QZTJIDSGSA-N 0 3 467.456 2.687 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 ZINC001296131354 1064225447 /nfs/dbraw/zinc/22/54/47/1064225447.db2.gz JVHITCFGRUROKN-HXUWFJFHSA-N 0 3 494.688 2.890 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296132071 1064228394 /nfs/dbraw/zinc/22/83/94/1064228394.db2.gz QOLPGHIPESAFCJ-GOSISDBHSA-N 0 3 490.599 2.563 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296132247 1064229307 /nfs/dbraw/zinc/22/93/07/1064229307.db2.gz ABJUMGUQSPGXAW-IMSXRSKXSA-N 0 3 486.661 2.753 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296132289 1064229406 /nfs/dbraw/zinc/22/94/06/1064229406.db2.gz AOWCXZOIMXUNRH-CJFMBICVSA-N 0 3 485.702 2.607 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CCOC(C)(C)C2)CC1 ZINC001296132644 1064231088 /nfs/dbraw/zinc/23/10/88/1064231088.db2.gz CIFRSUSKVPVKLZ-OAQYLSRUSA-N 0 3 470.662 2.713 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001296132789 1064231532 /nfs/dbraw/zinc/23/15/32/1064231532.db2.gz RTODUPXOLJHQKH-UZLBHIALSA-N 0 3 478.016 2.684 20 0 JFADHN CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001296133377 1064233694 /nfs/dbraw/zinc/23/36/94/1064233694.db2.gz TXTJQLGFGWDREA-GMKZXUHWSA-N 0 3 470.662 2.676 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(N(C)Cc3ccc(S(C)(=O)=O)cc3)nnc2C(C)(C)C)CC1 ZINC001296133609 1064234378 /nfs/dbraw/zinc/23/43/78/1064234378.db2.gz JRIRCMOFBUVZOW-IBGZPJMESA-N 0 3 476.691 2.642 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296133599 1064234480 /nfs/dbraw/zinc/23/44/80/1064234480.db2.gz JNXNFROKTUWPKE-VXKWHMMOSA-N 0 3 456.635 2.725 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3noc4c3COCC4)nnc2N(CC(C)C)C(C)C)CC1 ZINC001296134562 1064236256 /nfs/dbraw/zinc/23/62/56/1064236256.db2.gz YNFWLSOAOWDVAD-LJQANCHMSA-N 0 3 459.639 2.903 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296134835 1064237024 /nfs/dbraw/zinc/23/70/24/1064237024.db2.gz RBRVIKUABMAZCE-LVXARBLLSA-N 0 3 486.661 2.897 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296134834 1064237115 /nfs/dbraw/zinc/23/71/15/1064237115.db2.gz RBRVIKUABMAZCE-HFZDXXHNSA-N 0 3 486.661 2.897 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CC3CCCC3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001296135262 1064238802 /nfs/dbraw/zinc/23/88/02/1064238802.db2.gz XRFIEHMPRLUVSQ-OAQYLSRUSA-N 0 3 473.710 2.732 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001296135261 1064238855 /nfs/dbraw/zinc/23/88/55/1064238855.db2.gz XRFIEHMPRLUVSQ-NRFANRHFSA-N 0 3 473.710 2.732 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296135443 1064239200 /nfs/dbraw/zinc/23/92/00/1064239200.db2.gz YKDBSHGABLJDIO-FPOVZHCZSA-N 0 3 496.578 2.959 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001296135275 1064239230 /nfs/dbraw/zinc/23/92/30/1064239230.db2.gz XRVRAJIAARUNKW-QYZOEREBSA-N 0 3 491.731 2.626 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001296135478 1064239671 /nfs/dbraw/zinc/23/96/71/1064239671.db2.gz ZCNHNMFPBAIVRV-NRFANRHFSA-N 0 3 485.677 2.542 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)CC1 ZINC001296135793 1064240481 /nfs/dbraw/zinc/24/04/81/1064240481.db2.gz CCVIIKAMXXFKHN-SJLPKXTDSA-N 0 3 484.571 2.544 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC001296135828 1064240532 /nfs/dbraw/zinc/24/05/32/1064240532.db2.gz CYKOKYQDAWHFCL-DJAOPXNMSA-N 0 3 474.675 2.529 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001296137889 1064244357 /nfs/dbraw/zinc/24/43/57/1064244357.db2.gz SMHMCEUEUJYJNP-BJLQDIEVSA-N 0 3 488.599 2.807 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@H]2CC=CCC2)CC1 ZINC001296138415 1064245096 /nfs/dbraw/zinc/24/50/96/1064245096.db2.gz WNQXCTNYIMKMSG-LDVJMBRRSA-N 0 3 460.667 2.821 20 0 JFADHN CC[C@H](C)N(C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291764419 1064245138 /nfs/dbraw/zinc/24/51/38/1064245138.db2.gz CPAHPLOBVYBTHJ-KRWDZBQOSA-N 0 3 479.647 2.706 20 0 JFADHN CC[C@@H](C)N(C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291765274 1064245767 /nfs/dbraw/zinc/24/57/67/1064245767.db2.gz JYIUPXSTZROACK-OAHLLOKOSA-N 0 3 455.028 2.737 20 0 JFADHN CC[C@@H](C)N(C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291766691 1064248568 /nfs/dbraw/zinc/24/85/68/1064248568.db2.gz FKKFSJHQPUTEKV-MJGOQNOKSA-N 0 3 477.631 2.808 20 0 JFADHN CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2n[nH]c(C)n2)C[C@@H]1C ZINC001296144996 1064254791 /nfs/dbraw/zinc/25/47/91/1064254791.db2.gz CABPVSSDPSHJRG-AWEZNQCLSA-N 0 3 459.396 2.907 20 0 JFADHN CC[C@@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(C)c1 ZINC001291775242 1064263979 /nfs/dbraw/zinc/26/39/79/1064263979.db2.gz VRVYZQMPVUJYOT-UYAOXDASSA-N 0 3 463.648 2.864 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(C)c1 ZINC001291775240 1064264088 /nfs/dbraw/zinc/26/40/88/1064264088.db2.gz VRVYZQMPVUJYOT-ICSRJNTNSA-N 0 3 463.648 2.864 20 0 JFADHN CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@H]1C ZINC001296156098 1064268554 /nfs/dbraw/zinc/26/85/54/1064268554.db2.gz SPDSKTOIPVDNEG-OXQOHEQNSA-N 0 3 458.561 2.790 20 0 JFADHN CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296167879 1064291467 /nfs/dbraw/zinc/29/14/67/1064291467.db2.gz VHXJMGUGQLQJLQ-UPVQGACJSA-N 0 3 470.662 2.787 20 0 JFADHN CC[C@@H](C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001291793458 1064292437 /nfs/dbraw/zinc/29/24/37/1064292437.db2.gz MRYMGSMQVHYNCB-LJQANCHMSA-N 0 3 482.633 2.685 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3CC3CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001296173460 1064296158 /nfs/dbraw/zinc/29/61/58/1064296158.db2.gz HFEVBTYXXRVNQR-FQEVSTJZSA-N 0 3 475.682 2.659 20 0 JFADHN CCN(CC)c1ccc(Cn2c(C(C)C)nnc2N2CC[C@H](N3CCN(CC)CC3)C2)cn1 ZINC001296173874 1064299707 /nfs/dbraw/zinc/29/97/07/1064299707.db2.gz MLOBVVDNGZNZTP-QFIPXVFZSA-N 0 3 454.667 2.907 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccccn4)n3CCCN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296179570 1064309110 /nfs/dbraw/zinc/30/91/10/1064309110.db2.gz HFOHLIZOGPXTJW-NRFANRHFSA-N 0 3 498.676 2.813 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccccc4Cl)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001296180576 1064312562 /nfs/dbraw/zinc/31/25/62/1064312562.db2.gz NVVAKVDUYBNSBI-GOSISDBHSA-N 0 3 474.053 2.587 20 0 JFADHN CC[C@@H](C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001291802851 1064313391 /nfs/dbraw/zinc/31/33/91/1064313391.db2.gz GNHANKJLCKWLLQ-QUCCMNQESA-N 0 3 489.068 2.515 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccccc4Cl)n3C[C@@](C)(O)CCOC)C2)CC1 ZINC001296181155 1064314171 /nfs/dbraw/zinc/31/41/71/1064314171.db2.gz SRIMJVKKTPDHBO-CYFREDJKSA-N 0 3 477.053 2.602 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(C)n4)n3C[C@H](OC)C(C)(C)C)C2)CC1 ZINC001296181752 1064317697 /nfs/dbraw/zinc/31/76/97/1064317697.db2.gz ZXCOIJBROIUJCE-UNMCSNQZSA-N 0 3 455.651 2.926 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3CCNC(=O)c3ccc(C)c(F)c3)C2)CC1 ZINC001296182119 1064321412 /nfs/dbraw/zinc/32/14/12/1064321412.db2.gz NAOUSWZJWCEHFH-JOCHJYFZSA-N 0 3 485.652 2.570 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(Cc4ccccn4)n3CCSCC(F)(F)F)C2)CC1 ZINC001296182250 1064322394 /nfs/dbraw/zinc/32/23/94/1064322394.db2.gz PTAKSEZBIOEHCO-IBGZPJMESA-N 0 3 483.608 2.776 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)c2cc(OC)cc(OC)c2)CC1 ZINC001296182378 1064323213 /nfs/dbraw/zinc/32/32/13/1064323213.db2.gz RCSKOQMUDRUZDY-HXUWFJFHSA-N 0 3 499.660 2.573 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)c2cc(OC)cc(OC)c2)CC1 ZINC001296182377 1064323288 /nfs/dbraw/zinc/32/32/88/1064323288.db2.gz RCSKOQMUDRUZDY-FQEVSTJZSA-N 0 3 499.660 2.573 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001296183296 1064328437 /nfs/dbraw/zinc/32/84/37/1064328437.db2.gz CVQBMSUEBZMAJA-FQEVSTJZSA-N 0 3 468.650 2.825 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296190056 1064336737 /nfs/dbraw/zinc/33/67/37/1064336737.db2.gz BIHBUWHGSLZWLT-RQTOMXEWSA-N 0 3 484.689 2.553 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001296190367 1064338711 /nfs/dbraw/zinc/33/87/11/1064338711.db2.gz CPLOLIXWMVTKGT-ROUUACIJSA-N 0 3 456.557 2.754 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296190841 1064340423 /nfs/dbraw/zinc/34/04/23/1064340423.db2.gz GCDINCBXVIBEAZ-PKTZIBPZSA-N 0 3 454.663 2.952 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC(C)(OC)C2)CC1 ZINC001296191182 1064341358 /nfs/dbraw/zinc/34/13/58/1064341358.db2.gz IBHWZMCBKKGPPB-SFHVURJKSA-N 0 3 462.589 2.646 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296192185 1064344789 /nfs/dbraw/zinc/34/47/89/1064344789.db2.gz DLRUUYHKLDZNEE-MJGOQNOKSA-N 0 3 458.573 2.977 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296192408 1064345349 /nfs/dbraw/zinc/34/53/49/1064345349.db2.gz DWKIPBROKMVGBT-GGAORHGYSA-N 0 3 470.662 2.973 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@@H](C)C2)CC1 ZINC001296192804 1064347450 /nfs/dbraw/zinc/34/74/50/1064347450.db2.gz GPNLFARUOWHYJW-RTWAWAEBSA-N 0 3 456.635 2.986 20 0 JFADHN CC[C@@H](C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001291817229 1064348040 /nfs/dbraw/zinc/34/80/40/1064348040.db2.gz GPOINYAGCCZVDR-RTBURBONSA-N 0 3 490.599 2.610 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(C(N)=O)cc2)CC1 ZINC001296192872 1064348140 /nfs/dbraw/zinc/34/81/40/1064348140.db2.gz HAWBHZOVSNZQNR-OFNKIYASSA-N 0 3 483.661 2.529 20 0 JFADHN CC[C@@H](C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001291817224 1064348079 /nfs/dbraw/zinc/34/80/79/1064348079.db2.gz GPOINYAGCCZVDR-MOPGFXCFSA-N 0 3 490.599 2.610 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001296193312 1064349548 /nfs/dbraw/zinc/34/95/48/1064349548.db2.gz IIUMOPPVYJWPMP-DENIHFKCSA-N 0 3 474.723 2.745 20 0 JFADHN CC[C@H](C)NC(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001291817818 1064351535 /nfs/dbraw/zinc/35/15/35/1064351535.db2.gz NSWNKTSURWXCQF-FQEVSTJZSA-N 0 3 486.636 2.861 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C3CC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296194508 1064354538 /nfs/dbraw/zinc/35/45/38/1064354538.db2.gz MBXVENYOBGPOAD-ICSRJNTNSA-N 0 3 461.655 2.533 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(C3CC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296194510 1064354744 /nfs/dbraw/zinc/35/47/44/1064354744.db2.gz MBXVENYOBGPOAD-QUCCMNQESA-N 0 3 461.655 2.533 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](COC(C)C)C2)CC1 ZINC001296194416 1064355402 /nfs/dbraw/zinc/35/54/02/1064355402.db2.gz SGTTXFKQCDTGDN-FCHUYYIVSA-N 0 3 464.699 2.771 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(F)(F)CC2)CC1 ZINC001296194500 1064355981 /nfs/dbraw/zinc/35/59/81/1064355981.db2.gz LYJDQCBHPGXLFE-AABGKKOBSA-N 0 3 470.609 2.511 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001296194981 1064358914 /nfs/dbraw/zinc/35/89/14/1064358914.db2.gz UIDDZFKJCZZNNS-VQTJNVASSA-N 0 3 473.691 2.933 20 0 JFADHN CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001296195335 1064360923 /nfs/dbraw/zinc/36/09/23/1064360923.db2.gz OVFBCNQHKWPLQG-SLFFLAALSA-N 0 3 463.671 2.779 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001296196108 1064364784 /nfs/dbraw/zinc/36/47/84/1064364784.db2.gz XHAQSBNCWDBTHK-IRLDBZIGSA-N 0 3 457.692 2.869 20 0 JFADHN 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CCN1CCN(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCCOCC2)CC1 ZINC001296204047 1064384870 /nfs/dbraw/zinc/38/48/70/1064384870.db2.gz QEWWIJVCFCEUPI-FQEVSTJZSA-N 0 3 460.598 2.812 20 0 JFADHN CCN1CCN(CCCn2c(CCCc3ccccc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296210321 1064400783 /nfs/dbraw/zinc/40/07/83/1064400783.db2.gz FBVPVGRIHUYBFJ-VWNXMTODSA-N 0 3 454.663 2.688 20 0 JFADHN CCN1CCN(CCCn2c(CC(C)C)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)CC1 ZINC001296210654 1064400823 /nfs/dbraw/zinc/40/08/23/1064400823.db2.gz HCTACUJMDQBKBA-LJQANCHMSA-N 0 3 459.605 2.577 20 0 JFADHN CCN1CCN(CCCn2c(N3CCN(Cc4csc(C)n4)CC3)nnc2C(C)(C)C)CC1 ZINC001296212709 1064404531 /nfs/dbraw/zinc/40/45/31/1064404531.db2.gz BNCGTOZBMILMQT-UHFFFAOYSA-N 0 3 474.723 2.690 20 0 JFADHN CCNC(=O)C(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001296241866 1064499000 /nfs/dbraw/zinc/49/90/00/1064499000.db2.gz NKSJLVBCBKJOIO-UHFFFAOYSA-N 0 3 489.064 2.986 20 0 JFADHN CC[C@@H](c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@](C)(O)CC)c1ccccc1 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CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1)Oc1ccccc1F ZINC001292162954 1064948307 /nfs/dbraw/zinc/94/83/07/1064948307.db2.gz LQOOUBHVYCXSAM-PMACEKPBSA-N 0 3 488.608 2.572 20 0 JFADHN CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1)Oc1ccccc1F ZINC001292162956 1064948339 /nfs/dbraw/zinc/94/83/39/1064948339.db2.gz LQOOUBHVYCXSAM-UXHICEINSA-N 0 3 488.608 2.572 20 0 JFADHN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@H]2CCOC2)CC1)OC ZINC001292181241 1064971276 /nfs/dbraw/zinc/97/12/76/1064971276.db2.gz SEXNDNTXMBFDTN-NVXWUHKLSA-N 0 3 467.412 2.619 20 0 JFADHN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)OC ZINC001292181242 1064971298 /nfs/dbraw/zinc/97/12/98/1064971298.db2.gz SEXNDNTXMBFDTN-RDJZCZTQSA-N 0 3 467.412 2.619 20 0 JFADHN CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001292192830 1064985311 /nfs/dbraw/zinc/98/53/11/1064985311.db2.gz NOJHOSQZXUBNHD-WOJBJXKFSA-N 0 3 461.632 2.842 20 0 JFADHN CC[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@H](C)N(CC)C[C@H]1C)OC ZINC001292212787 1065003105 /nfs/dbraw/zinc/00/31/05/1065003105.db2.gz WLZTXKYQQLQKGQ-RCCFBDPRSA-N 0 3 453.591 2.536 20 0 JFADHN CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1)NC(=O)OC(C)(C)C ZINC001292225103 1065011804 /nfs/dbraw/zinc/01/18/04/1065011804.db2.gz LTPDLTFXYDPMBB-NJDAHSKKSA-N 0 3 492.665 2.634 20 0 JFADHN CC[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)C)CC1)OC ZINC001292243253 1065025850 /nfs/dbraw/zinc/02/58/50/1065025850.db2.gz QNQGDEDXMHVZNM-DEOSSOPVSA-N 0 3 469.678 2.598 20 0 JFADHN CC[C@@]1(C)CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)C2CCN(CCn3cccn3)CC2)O1 ZINC001292295029 1065066990 /nfs/dbraw/zinc/06/69/90/1065066990.db2.gz FEIFTNZLFFTGGO-OFVILXPXSA-N 0 3 486.665 2.561 20 0 JFADHN CC[C@@]1(C)CN(c2nnc(-c3ccc(C)o3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001292353533 1065097963 /nfs/dbraw/zinc/09/79/63/1065097963.db2.gz KUSCOEAYVPSCEF-DVECYGJZSA-N 0 3 458.607 2.795 20 0 JFADHN CC[C@]1(C)CN(c2nnc(-c3ccc(C)o3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001292353535 1065098188 /nfs/dbraw/zinc/09/81/88/1065098188.db2.gz KUSCOEAYVPSCEF-YADARESESA-N 0 3 458.607 2.795 20 0 JFADHN CN(C)CCn1c2cc(C(=O)Nc3ccc(CN4C(=O)CSC4=O)cc3)ccc2[nH]c1=O ZINC001292423369 1065153684 /nfs/dbraw/zinc/15/36/84/1065153684.db2.gz URNQYQKHTIZQQP-UHFFFAOYSA-N 0 3 453.524 2.751 20 0 JFADHN CCc1ccc([C@H](Cn2c(CN3CCCC3=O)nnc2N2CCN(CC(C)C)C(=O)C2)N(C)C)cc1 ZINC001292459216 1065184269 /nfs/dbraw/zinc/18/42/69/1065184269.db2.gz CZWLDSPAOMWRTG-QHCPKHFHSA-N 0 3 495.672 2.570 20 0 JFADHN CCc1ccc([C@@H](Cn2c([C@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)N(C)C)cc1 ZINC001292459644 1065185447 /nfs/dbraw/zinc/18/54/47/1065185447.db2.gz DHAHIAOITIEZSO-JTHBVZDNSA-N 0 3 454.619 2.752 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC)C(C)C)N(C)C)cc1 ZINC001292460524 1065188323 /nfs/dbraw/zinc/18/83/23/1065188323.db2.gz IDJABODKZLXYQC-FCHUYYIVSA-N 0 3 492.690 2.711 20 0 JFADHN CCc1ccc([C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@H](C(N)=O)C2)N(C)C)cc1 ZINC001292463975 1065193389 /nfs/dbraw/zinc/19/33/89/1065193389.db2.gz ZHYPRKKPWPRHHU-GPJHCHHRSA-N 0 3 484.645 2.569 20 0 JFADHN CCc1ccc(-c2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2CC(C)(C)C(=O)NC)cc1 ZINC001292499838 1065220154 /nfs/dbraw/zinc/22/01/54/1065220154.db2.gz ZBGQFFXKBWGWHJ-QHCPKHFHSA-N 0 3 481.689 2.884 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C(=O)OC)[C@@H](C)C3)n2C[C@@H](C)N2CCN(CC)CC2)cc1 ZINC001292513758 1065234403 /nfs/dbraw/zinc/23/44/03/1065234403.db2.gz MPBWFLSJKIRGHU-RTWAWAEBSA-N 0 3 483.661 2.810 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2C[C@@H](CC)OC)cc1 ZINC001292513782 1065234607 /nfs/dbraw/zinc/23/46/07/1065234607.db2.gz NKEUQCILOCOIKB-FGZHOGPDSA-N 0 3 454.619 2.675 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C(=O)CN(CC)CC)CC3)n2C[C@H]2CCCO2)cc1 ZINC001292514592 1065235988 /nfs/dbraw/zinc/23/59/88/1065235988.db2.gz UUSWOHLFYOULSR-JOCHJYFZSA-N 0 3 454.619 2.677 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C4CCOCC4)CC3)n2C[C@@](C)(O)CCOC)cc1 ZINC001292518314 1065242339 /nfs/dbraw/zinc/24/23/39/1065242339.db2.gz PNLVIEHEKNBXRI-VWLOTQADSA-N 0 3 457.619 2.596 20 0 JFADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc(Br)cc2Br)CC1 ZINC001292521200 1065247367 /nfs/dbraw/zinc/24/73/67/1065247367.db2.gz DATZZWVYAVLTBJ-HNNXBMFYSA-N 0 3 459.182 2.766 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CCSCC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001292618462 1065354250 /nfs/dbraw/zinc/35/42/50/1065354250.db2.gz BLCYJLDAWRBQND-FQEVSTJZSA-N 0 3 458.676 2.999 20 0 JFADHN CCc1cnc(CCn2c([C@@H]3CCCCO3)nnc2N2CCN(C(=O)CN(CC)CC)CC2)s1 ZINC001292627130 1065364541 /nfs/dbraw/zinc/36/45/41/1065364541.db2.gz YVCOVODUIULKII-FQEVSTJZSA-N 0 3 489.690 2.772 20 0 JFADHN CN(C)CCN1C[C@@H](C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC001292636181 1065373937 /nfs/dbraw/zinc/37/39/37/1065373937.db2.gz RABCDIPTOSEPCI-KSSFIOAISA-N 0 3 455.386 2.723 20 0 JFADHN CCc1nc(C)c(Cn2c(C3CCCC3)nnc2N2CCN(C(=O)CN(CC)CC)CC2)o1 ZINC001292686247 1065428983 /nfs/dbraw/zinc/42/89/83/1065428983.db2.gz IHBHNOPICAOQOC-UHFFFAOYSA-N 0 3 457.623 2.833 20 0 JFADHN CCc1nnc(Cn2c(N3CCN(CC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001292802473 1065560100 /nfs/dbraw/zinc/56/01/00/1065560100.db2.gz FQPWLMPKOHNSEH-JOCHJYFZSA-N 0 3 463.652 2.559 20 0 JFADHN CCc1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001292813643 1065563791 /nfs/dbraw/zinc/56/37/91/1065563791.db2.gz MWIDNTHDBYUMQN-QFIPXVFZSA-N 0 3 481.689 2.855 20 0 JFADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[C@@](C)(O)c1ccccc1 ZINC001292892223 1065589061 /nfs/dbraw/zinc/58/90/61/1065589061.db2.gz AYZUGLYUNCJEFX-AMZDPNTKSA-N 0 3 468.646 2.517 20 0 JFADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCc1cc(OC)ccc1OC ZINC001292892230 1065589548 /nfs/dbraw/zinc/58/95/48/1065589548.db2.gz BDFUZNJFXMCPNR-RDPSFJRHSA-N 0 3 498.672 2.869 20 0 JFADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1C[C@H](C)N(C)c1ccccc1 ZINC001292892765 1065591382 /nfs/dbraw/zinc/59/13/82/1065591382.db2.gz HZRKWWNRJMDIDF-AWRGLXIESA-N 0 3 467.662 2.744 20 0 JFADHN CCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CC1(OC)CCC(C)CC1 ZINC001292893225 1065592994 /nfs/dbraw/zinc/59/29/94/1065592994.db2.gz MNVGJFVZPGNXEP-CTZBYDCFSA-N 0 3 460.667 2.815 20 0 JFADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1(OC)CCC(C)CC1 ZINC001292893228 1065593709 /nfs/dbraw/zinc/59/37/09/1065593709.db2.gz MNVGJFVZPGNXEP-PSBUECQCSA-N 0 3 460.667 2.815 20 0 JFADHN CCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCOc1c(C)cccc1C ZINC001292893425 1065594340 /nfs/dbraw/zinc/59/43/40/1065594340.db2.gz NVGYHGALKQHTGZ-FYYLOGMGSA-N 0 3 468.646 2.915 20 0 JFADHN CCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CC1(COC)CCCCC1 ZINC001292893461 1065594694 /nfs/dbraw/zinc/59/46/94/1065594694.db2.gz ORWJHAUWWGLUMQ-IRLDBZIGSA-N 0 3 460.667 2.816 20 0 JFADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC1(COC)CCCCC1 ZINC001292893462 1065594824 /nfs/dbraw/zinc/59/48/24/1065594824.db2.gz ORWJHAUWWGLUMQ-RBBKRZOGSA-N 0 3 460.667 2.816 20 0 JFADHN CCc1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001292907487 1065598962 /nfs/dbraw/zinc/59/89/62/1065598962.db2.gz SQGFJBVPIZXAQB-ILWGZMRPSA-N 0 3 454.619 2.750 20 0 JFADHN CCc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001292932626 1065622621 /nfs/dbraw/zinc/62/26/21/1065622621.db2.gz WXSJATYMLIRJMU-SLFFLAALSA-N 0 3 491.681 2.523 20 0 JFADHN CCc1nnc(N2CCC(c3ccc(O)cc3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001292943300 1065627653 /nfs/dbraw/zinc/62/76/53/1065627653.db2.gz MPGCNLSNPSHUTG-JOCHJYFZSA-N 0 3 454.619 2.873 20 0 JFADHN CCc1nnc(N2CC[C@@H](c3ccccc3OC)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001292943496 1065628389 /nfs/dbraw/zinc/62/83/89/1065628389.db2.gz OELZNXWKQBSLEG-TZIWHRDSSA-N 0 3 454.619 2.786 20 0 JFADHN CCc1nnc(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001292951824 1065632382 /nfs/dbraw/zinc/63/23/82/1065632382.db2.gz KAYZZSIVKAKVAS-QFIPXVFZSA-N 0 3 487.718 2.976 20 0 JFADHN CCN1CCN(C[C@@H](C)CNC(=O)c2nn(-c3ccccc3F)cc2Br)CC1 ZINC001292957489 1065634584 /nfs/dbraw/zinc/63/45/84/1065634584.db2.gz APSHOBIVEULOOO-HNNXBMFYSA-N 0 3 452.372 2.777 20 0 JFADHN CCN1CCN(C[C@H](C)CNC(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001292957742 1065635372 /nfs/dbraw/zinc/63/53/72/1065635372.db2.gz DNWVWSXGUGDAJC-HXUWFJFHSA-N 0 3 458.647 2.912 20 0 JFADHN CCc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001292960723 1065639402 /nfs/dbraw/zinc/63/94/02/1065639402.db2.gz HOTWJLZYTICSCB-FQEVSTJZSA-N 0 3 464.655 2.938 20 0 JFADHN CCc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001292960724 1065640552 /nfs/dbraw/zinc/64/05/52/1065640552.db2.gz HOTWJLZYTICSCB-HXUWFJFHSA-N 0 3 464.655 2.938 20 0 JFADHN CCc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCc1ccc(OC)cc1OC ZINC001292979840 1065662031 /nfs/dbraw/zinc/66/20/31/1065662031.db2.gz YDYQDZZQLZIDKH-OAQYLSRUSA-N 0 3 456.635 2.705 20 0 JFADHN COC(=O)C1CCN(CCCNC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC001292984621 1065667909 /nfs/dbraw/zinc/66/79/09/1065667909.db2.gz GETLPPDMVVXLPD-OAQYLSRUSA-N 0 3 459.587 2.912 20 0 JFADHN CCN1CCN([C@@H](C)CNC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC001292986388 1065670949 /nfs/dbraw/zinc/67/09/49/1065670949.db2.gz KQGAEABUBJOYPE-CVDCTZTESA-N 0 3 453.587 2.721 20 0 JFADHN CCOc1c(Br)cc(C(=O)NCCCN2CCC(C(=O)OC)CC2)cc1OC ZINC001292987109 1065673198 /nfs/dbraw/zinc/67/31/98/1065673198.db2.gz SLJGJRJZDWKKCA-UHFFFAOYSA-N 0 3 457.365 2.861 20 0 JFADHN CCc1nnc(N2CCc3cc(OC)c(C)cc3C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001293004836 1065689245 /nfs/dbraw/zinc/68/92/45/1065689245.db2.gz VOLWNDVPTRGSHT-NRFANRHFSA-N 0 3 454.619 2.663 20 0 JFADHN CCc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@H](c1ccsc1)N(CC)CC ZINC001293036987 1065706482 /nfs/dbraw/zinc/70/64/82/1065706482.db2.gz RRWAKPIVEFELIH-WOJBJXKFSA-N 0 3 480.704 2.989 20 0 JFADHN CN(CCN1CCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)CC1)Cc1ccccc1 ZINC001293065968 1065717065 /nfs/dbraw/zinc/71/70/65/1065717065.db2.gz RXGWMLCWLOUYRY-UHFFFAOYSA-N 0 3 457.644 2.946 20 0 JFADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc(I)cc(C)c2C)CC1 ZINC001293080932 1065729816 /nfs/dbraw/zinc/72/98/16/1065729816.db2.gz QKKPNRRMHIRWQJ-UHFFFAOYSA-N 0 3 457.356 2.534 20 0 JFADHN CCOc1ccc([C@@]2(C(=O)N3CCN(C(=O)CN(CC)CC)CC3)CC2(Cl)Cl)cc1 ZINC001293082810 1065732953 /nfs/dbraw/zinc/73/29/53/1065732953.db2.gz XIHNXGHJHSSEFO-OAQYLSRUSA-N 0 3 456.414 2.913 20 0 JFADHN CCc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001293110918 1065755973 /nfs/dbraw/zinc/75/59/73/1065755973.db2.gz HWKPDBKIVGHDDE-QGZVFWFLSA-N 0 3 481.476 2.895 20 0 JFADHN CCc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001293116489 1065763551 /nfs/dbraw/zinc/76/35/51/1065763551.db2.gz MKQFQMUMYLVMQT-ROUUACIJSA-N 0 3 450.628 2.785 20 0 JFADHN CCc1noc([C@@H](C)N2CCN(c3nnc(C)n3C[C@@H](c3cccc(F)c3)N(C)C)CC2)n1 ZINC001293186584 1065811977 /nfs/dbraw/zinc/81/19/77/1065811977.db2.gz WYULJQIOUJUFBU-UZLBHIALSA-N 0 3 456.570 2.857 20 0 JFADHN CC[C@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCC[C@@H](C)C1 ZINC001293214579 1065848103 /nfs/dbraw/zinc/84/81/03/1065848103.db2.gz ABMLLMORUNVGFE-UTKZUKDTSA-N 0 3 467.618 2.594 20 0 JFADHN CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(OC)ccc2Br)n1CCN1CC=CCC1 ZINC001293218068 1065861406 /nfs/dbraw/zinc/86/14/06/1065861406.db2.gz IIRRSXULBHXUEU-LJQANCHMSA-N 0 3 489.418 2.693 20 0 JFADHN CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCN(C)C(C)(C)C1 ZINC001293301260 1065941811 /nfs/dbraw/zinc/94/18/11/1065941811.db2.gz JNYVZFUHCZBNTR-TZIWHRDSSA-N 0 3 488.702 2.999 20 0 JFADHN O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)cc1 ZINC001293383129 1065985404 /nfs/dbraw/zinc/98/54/04/1065985404.db2.gz NQSZTAMNLKAXCY-FQEVSTJZSA-N 0 3 455.603 2.815 20 0 JFADHN CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)CN2CCN(CC)CC2)CCS1 ZINC001293508846 1066033146 /nfs/dbraw/zinc/03/31/46/1066033146.db2.gz FTBMBZGQJSBAIJ-VQTJNVASSA-N 0 3 486.690 2.531 20 0 JFADHN CC/C=C\Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001293668551 1066170851 /nfs/dbraw/zinc/17/08/51/1066170851.db2.gz YYOTVTDUDPDWEN-SREVYHEPSA-N 0 3 498.628 2.682 20 0 JFADHN CC/C=C\Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001293694520 1066176086 /nfs/dbraw/zinc/17/60/86/1066176086.db2.gz KTRASHUSPSTSQZ-YFHOEESVSA-N 0 3 478.601 2.551 20 0 JFADHN CC/C=C/Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001293694519 1066176131 /nfs/dbraw/zinc/17/61/31/1066176131.db2.gz KTRASHUSPSTSQZ-JXMROGBWSA-N 0 3 478.601 2.551 20 0 JFADHN CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001293747798 1066217629 /nfs/dbraw/zinc/21/76/29/1066217629.db2.gz CSYVPUVDJAAUAN-UYAOXDASSA-N 0 3 468.631 2.985 20 0 JFADHN CCC[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001293801816 1066312563 /nfs/dbraw/zinc/31/25/63/1066312563.db2.gz LWQQHMZGXAIVEN-KKSFZXQISA-N 0 3 481.439 2.745 20 0 JFADHN CCC[C@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(C)C)CC1 ZINC001293823163 1066331796 /nfs/dbraw/zinc/33/17/96/1066331796.db2.gz PGOTUNRJQKPPMB-VWLOTQADSA-N 0 3 470.666 2.781 20 0 JFADHN CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001293861741 1066370613 /nfs/dbraw/zinc/37/06/13/1066370613.db2.gz GOXNUKFIKGNGCR-VABKMULXSA-N 0 3 489.709 2.677 20 0 JFADHN CCCc1nc(C)c(Cn2c(COCC)nnc2N2CC[C@H](N3CCN(C(C)C)CC3)C2)o1 ZINC001294053808 1066525075 /nfs/dbraw/zinc/52/50/75/1066525075.db2.gz SFXMPSAXIJEEIH-FQEVSTJZSA-N 0 3 459.639 2.717 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2NC(=O)CC2(C)C)CCN1CCOC ZINC001294068731 1066539307 /nfs/dbraw/zinc/53/93/07/1066539307.db2.gz XDWJHOKOPVUWDG-RTBURBONSA-N 0 3 490.052 2.845 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCN2CCOC[C@@H]2C)CCN1CCOC ZINC001294073137 1066542499 /nfs/dbraw/zinc/54/24/99/1066542499.db2.gz KJQZMWDJXICIKI-LEWJYISDSA-N 0 3 474.625 2.742 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCN2CCOC[C@H]2C)CCN1CCOC ZINC001294073138 1066542693 /nfs/dbraw/zinc/54/26/93/1066542693.db2.gz KJQZMWDJXICIKI-NHCUHLMSSA-N 0 3 474.625 2.742 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H]2CCO[C@@H]2C(C)C)CCN1CCOC ZINC001294075505 1066544172 /nfs/dbraw/zinc/54/41/72/1066544172.db2.gz ADWOLNQBLPTJHJ-KCZVDYSFSA-N 0 3 457.623 2.733 20 0 JFADHN CCC[C@@H]1CN(c2nnc(C3CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CCN1CCOC ZINC001294080190 1066548702 /nfs/dbraw/zinc/54/87/02/1066548702.db2.gz COKZGOSHHSHSRN-PKOBYXMFSA-N 0 3 458.573 2.977 20 0 JFADHN CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC001294085286 1066555060 /nfs/dbraw/zinc/55/50/60/1066555060.db2.gz DPTLDAPPESKFOB-XRXFAXGQSA-N 0 3 467.680 2.554 20 0 JFADHN CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@]2(C)CN(C3CC3)C2=O)CCN1CCOC ZINC001294087838 1066560139 /nfs/dbraw/zinc/56/01/39/1066560139.db2.gz XYNBOVXTOJMORS-CPJSRVTESA-N 0 3 460.667 2.815 20 0 JFADHN COc1ccc(N2C(=O)CC[C@@H](C(=O)NCCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004756712 524387836 /nfs/dbraw/zinc/38/78/36/524387836.db2.gz MWDQIXBSIKJNCK-HYBUGGRVSA-N 0 3 455.555 2.875 20 0 JFADHN CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(C)Cc3ccccc3)cc2)cc1 ZINC000009833700 562956968 /nfs/dbraw/zinc/95/69/68/562956968.db2.gz PXCSFYDKFROWTD-UHFFFAOYSA-N 0 3 494.617 2.985 20 0 JFADHN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CC[C@H]4NCCO[C@@H]4C3)c2c1C ZINC001164391075 718824441 /nfs/dbraw/zinc/82/44/41/718824441.db2.gz SMSAHWAMWKPART-IAGOWNOFSA-N 0 3 459.616 2.729 20 0 JFADHN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CC[C@H]4NCCO[C@H]4C3)c2c1C ZINC001164391079 718824635 /nfs/dbraw/zinc/82/46/35/718824635.db2.gz SMSAHWAMWKPART-SJORKVTESA-N 0 3 459.616 2.729 20 0 JFADHN COCCOc1cc2ncnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2cc1OCCOC ZINC001164727769 720348167 /nfs/dbraw/zinc/34/81/67/720348167.db2.gz UNDHFQUMOAEWID-PKTZIBPZSA-N 0 3 479.581 2.928 20 0 JFADHN O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nc21 ZINC001164729314 720428351 /nfs/dbraw/zinc/42/83/51/720428351.db2.gz GWQGTYONFRENCA-FGZHOGPDSA-N 0 3 460.563 2.917 20 0 JFADHN CCOC(=O)c1cnc(-c2cccs2)nc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744280 720677348 /nfs/dbraw/zinc/67/73/48/720677348.db2.gz YYZPPRWDERYKIA-JKSUJKDBSA-N 0 3 452.540 2.514 20 0 JFADHN CS(=O)(=O)c1cccnc1N1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001164755296 720882102 /nfs/dbraw/zinc/88/21/02/720882102.db2.gz VVGFUGCDDYCAJC-XUZZJYLKSA-N 0 3 456.612 2.635 20 0 JFADHN CS(=O)(=O)c1ccc(N2CC[C@]3(CN(CC4CC4)C[C@H]3COCc3cccnc3)C2)nc1 ZINC001164752360 720905976 /nfs/dbraw/zinc/90/59/76/720905976.db2.gz NYHWAQQGDJQLJM-URXFXBBRSA-N 0 3 456.612 2.635 20 0 JFADHN Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001164766443 721084980 /nfs/dbraw/zinc/08/49/80/721084980.db2.gz KHHZGYWSSHVMNN-RTWAWAEBSA-N 0 3 491.621 2.669 20 0 JFADHN c1cncc(CO[C@H]2C[C@@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CCN3C2)c1 ZINC001164865372 721107367 /nfs/dbraw/zinc/10/73/67/721107367.db2.gz KLTUOJGNCIRVCI-PKTZIBPZSA-N 0 3 472.597 2.799 20 0 JFADHN CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867646 721118734 /nfs/dbraw/zinc/11/87/34/721118734.db2.gz ZFZUSRBQQXUHRI-FCHUYYIVSA-N 0 3 460.582 2.890 20 0 JFADHN c1ccc(N2CCN(c3cc(N4CCN5C[C@@H](OCc6cccnc6)C[C@@H]5C4)ncn3)CC2)cc1 ZINC001164875532 721166999 /nfs/dbraw/zinc/16/69/99/721166999.db2.gz LUSLGFPNYPISEO-RPBOFIJWSA-N 0 3 471.609 2.678 20 0 JFADHN COc1ccc(Cn2cc3[nH]c(N4C[C@@H]5CCN(Cc6cnn(C)c6)C[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164769324 721187972 /nfs/dbraw/zinc/18/79/72/721187972.db2.gz MCNKAHZHGLGORL-FCHUYYIVSA-N 0 3 472.593 2.938 20 0 JFADHN Cn1cc(CN2CC[C@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)C[C@@H]3C2)cn1 ZINC001164774389 721198958 /nfs/dbraw/zinc/19/89/58/721198958.db2.gz YUPUYLHKWYNIKO-PMACEKPBSA-N 0 3 493.681 2.704 20 0 JFADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)C[C@@H]3C2)cn1 ZINC001164774390 721199190 /nfs/dbraw/zinc/19/91/90/721199190.db2.gz YUPUYLHKWYNIKO-UXHICEINSA-N 0 3 493.681 2.704 20 0 JFADHN COc1cc2nc(C)nc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2cc1OC ZINC001164887130 721412638 /nfs/dbraw/zinc/41/26/38/721412638.db2.gz LBQIIASIWTYONG-KBMIEXCESA-N 0 3 455.603 2.721 20 0 JFADHN COc1ccc(CN(C)c2ccnc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)n2)cc1 ZINC001164891586 721445736 /nfs/dbraw/zinc/44/57/36/721445736.db2.gz HBONGOYWEXIJSW-SQHAQQRYSA-N 0 3 480.657 2.887 20 0 JFADHN c1csc(N2[C@@H]3CCN(c4ccc(CN5CCCC5)cn4)C[C@H]3C[C@H]2Cn2cncn2)n1 ZINC001164899938 721494996 /nfs/dbraw/zinc/49/49/96/721494996.db2.gz MJQDECWAVVZBMU-QHAWAJNXSA-N 0 3 450.616 2.899 20 0 JFADHN c1csc(N2[C@@H]3CCN(c4ncccc4CN4CCCC4)C[C@@H]3C[C@H]2Cn2cncn2)n1 ZINC001164900641 721495521 /nfs/dbraw/zinc/49/55/21/721495521.db2.gz RJDJPVFADRNSGX-PCCBWWKXSA-N 0 3 450.616 2.899 20 0 JFADHN COC(=O)c1cc2c(nc(Cl)nc2N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1C ZINC001164906599 721551252 /nfs/dbraw/zinc/55/12/52/721551252.db2.gz KFAHIRZPLDXBDD-GOEBONIOSA-N 0 3 459.909 2.889 20 0 JFADHN O=C1CCC(=O)N1Cc1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164908948 721713559 /nfs/dbraw/zinc/71/35/59/721713559.db2.gz ZUORQZXTDOEQHY-QHCPKHFHSA-N 0 3 455.509 2.863 20 0 JFADHN CCc1cc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)nc(N2CCOCC2)n1 ZINC001165021199 721842501 /nfs/dbraw/zinc/84/25/01/721842501.db2.gz HLBUFAWABCGPRF-UHFFFAOYSA-N 0 3 455.603 2.994 20 0 JFADHN CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nn2)C1 ZINC001164961697 722060086 /nfs/dbraw/zinc/06/00/86/722060086.db2.gz OHGROZKYGLIAFN-QHCPKHFHSA-N 0 3 494.640 2.770 20 0 JFADHN CCOC(=O)c1cnc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164977282 722101726 /nfs/dbraw/zinc/10/17/26/722101726.db2.gz FRRQOTDMBAQOOP-FUHWJXTLSA-N 0 3 481.931 2.974 20 0 JFADHN CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983939 722105366 /nfs/dbraw/zinc/10/53/66/722105366.db2.gz RHJUFUFWUZLVCE-IAGOWNOFSA-N 0 3 452.937 2.863 20 0 JFADHN c1ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c(N3CCOCC3)nc2c1 ZINC001164982510 722115133 /nfs/dbraw/zinc/11/51/33/722115133.db2.gz WUFFTLFVMBLEJR-ZJSXRUAMSA-N 0 3 460.582 2.589 20 0 JFADHN COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1C ZINC001164972560 722137673 /nfs/dbraw/zinc/13/76/73/722137673.db2.gz ACCONUIYEWHKGI-VQIMIIECSA-N 0 3 470.961 2.531 20 0 JFADHN c1ccc(N2CCN(c3ccc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@H]5C4)nn3)CC2)cc1 ZINC001164984231 722142416 /nfs/dbraw/zinc/14/24/16/722142416.db2.gz WPCCQCGWGLCOCU-AHWVRZQESA-N 0 3 485.636 2.926 20 0 JFADHN c1ccc(N2CCN(c3ccc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)nn3)CC2)cc1 ZINC001164984233 722142446 /nfs/dbraw/zinc/14/24/46/722142446.db2.gz WPCCQCGWGLCOCU-AZGAKELHSA-N 0 3 485.636 2.926 20 0 JFADHN CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164977076 722143952 /nfs/dbraw/zinc/14/39/52/722143952.db2.gz IMASQOBNICPPHI-RRPUWOKSSA-N 0 3 473.643 2.671 20 0 JFADHN CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164976077 722144212 /nfs/dbraw/zinc/14/42/12/722144212.db2.gz GZEWJAAICWPOKU-IRLDBZIGSA-N 0 3 473.643 2.671 20 0 JFADHN CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164977077 722144220 /nfs/dbraw/zinc/14/42/20/722144220.db2.gz IMASQOBNICPPHI-WPYKKVEZSA-N 0 3 473.643 2.671 20 0 JFADHN CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164976080 722144247 /nfs/dbraw/zinc/14/42/47/722144247.db2.gz GZEWJAAICWPOKU-UNMCSNQZSA-N 0 3 473.643 2.671 20 0 JFADHN Clc1nnc(Cl)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1N1CCOCC1 ZINC001164973174 722159046 /nfs/dbraw/zinc/15/90/46/722159046.db2.gz LRJHFYDLCRUHRF-MSOLQXFVSA-N 0 3 479.412 2.742 20 0 JFADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCN(c3cccc(F)c3)C(=O)C2)CC1 ZINC001264017656 1059505983 /nfs/dbraw/zinc/50/59/83/1059505983.db2.gz OIBFCTKITMTSMX-UHFFFAOYSA-N 0 3 453.562 2.522 20 0 JFADHN CCN1CCN(c2ccc(NC(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)c(C)c2)CC1 ZINC001264048657 1059512593 /nfs/dbraw/zinc/51/25/93/1059512593.db2.gz YBIZKSHVNWSZBY-RUZDIDTESA-N 0 3 455.603 2.966 20 0 JFADHN CO[C@]1(C)CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001299742394 1059580375 /nfs/dbraw/zinc/58/03/75/1059580375.db2.gz DKGPJUOMLPVDEE-KKLQWCBXSA-N 0 3 478.663 2.505 20 0 JFADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1 ZINC001264985944 1059745372 /nfs/dbraw/zinc/74/53/72/1059745372.db2.gz UBLYPXSDKYGWOJ-QGZVFWFLSA-N 0 3 451.493 2.772 20 0 JFADHN CN(C(=O)c1ccc(NC(=O)c2cn(Cc3cccc(F)c3)nn2)cc1)[C@@H]1CCCN(C)C1 ZINC001265248220 1059807627 /nfs/dbraw/zinc/80/76/27/1059807627.db2.gz VZENJNBIXVXUME-OAQYLSRUSA-N 0 3 450.518 2.884 20 0 JFADHN CC(=O)N(C)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001286841936 1061109375 /nfs/dbraw/zinc/10/93/75/1061109375.db2.gz KWJIAYKMWASOKP-JOCHJYFZSA-N 0 3 468.581 2.568 20 0 JFADHN CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCCOC3)n2CCN(C)Cc2ccccc2)C1 ZINC001286850660 1061179470 /nfs/dbraw/zinc/17/94/70/1061179470.db2.gz PQZTZFODFIJQSZ-XZOQPEGZSA-N 0 3 454.619 2.609 20 0 JFADHN CC(=O)N1CCC(Cn2c(CC(C)(C)C)nnc2N2CCC(CN3CCOCC3)CC2)CC1 ZINC001286856100 1061211177 /nfs/dbraw/zinc/21/11/77/1061211177.db2.gz SWHAASFNLPTLBX-UHFFFAOYSA-N 0 3 460.667 2.674 20 0 JFADHN Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CCN2CCN(C)C(C)(C)C2)o1 ZINC001289582910 1061227805 /nfs/dbraw/zinc/22/78/05/1061227805.db2.gz DMLOTHGSZNCWIP-OAQYLSRUSA-N 0 3 485.677 2.861 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3CCOc3cc(C)cc(C)c3)C[C@H]2C)CC1 ZINC001286868469 1061257432 /nfs/dbraw/zinc/25/74/32/1061257432.db2.gz AISQVDFVZKWLGA-YKSBVNFPSA-N 0 3 454.619 2.661 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3CCCOc3ccc(C)cc3)C[C@H]2C)CC1 ZINC001286868516 1061257695 /nfs/dbraw/zinc/25/76/95/1061257695.db2.gz BFEWUJWDKFXDLM-YKSBVNFPSA-N 0 3 454.619 2.743 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cnccn4)n3CCCC(C)C)C[C@@H]2C)CC1 ZINC001286870249 1061264527 /nfs/dbraw/zinc/26/45/27/1061264527.db2.gz IIXXTLLSSLMFLA-UGKGYDQZSA-N 0 3 454.623 2.550 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccn4C)n3CCOCCC(C)C)C[C@H]2C)CC1 ZINC001286870288 1061264782 /nfs/dbraw/zinc/26/47/82/1061264782.db2.gz INKOBRQZTYOKER-ZJSXRUAMSA-N 0 3 485.677 2.725 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H]3OCCC3(C)C)C[C@@H]2C)CC1 ZINC001286870838 1061268614 /nfs/dbraw/zinc/26/86/14/1061268614.db2.gz KUISYPHOQBLCNF-NNWRFLSQSA-N 0 3 460.667 2.671 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc([C@H]4CCOC4)n3CCSCC(C)C)C[C@@H]2C)CC1 ZINC001286871100 1061269344 /nfs/dbraw/zinc/26/93/44/1061269344.db2.gz LSJHOUULSFXBSW-ILWGZMRPSA-N 0 3 478.707 2.550 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cnccn4)n3CCCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286871161 1061270265 /nfs/dbraw/zinc/27/02/65/1061270265.db2.gz MJMVVDHDEYFCQN-URXFXBBRSA-N 0 3 498.676 2.567 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cnccn4)n3CCCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286871162 1061270623 /nfs/dbraw/zinc/27/06/23/1061270623.db2.gz MJMVVDHDEYFCQN-XUZZJYLKSA-N 0 3 498.676 2.567 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cnccn4)n3CCCOCCC(C)C)C[C@H]2C)CC1 ZINC001286871163 1061270685 /nfs/dbraw/zinc/27/06/85/1061270685.db2.gz MJMVVDHDEYFCQN-ZJSXRUAMSA-N 0 3 498.676 2.567 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CCCOCC3CCOCC3)C[C@@H]2C)CC1 ZINC001286872200 1061277113 /nfs/dbraw/zinc/27/71/13/1061277113.db2.gz TXBPHQFIAZWGPN-XUZZJYLKSA-N 0 3 490.693 2.614 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccn4C)n3CCCOCC(C)C)C[C@H]2C)CC1 ZINC001286872179 1061277416 /nfs/dbraw/zinc/27/74/16/1061277416.db2.gz SVIDOTXBKIMTNZ-ZJSXRUAMSA-N 0 3 485.677 2.725 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CC3(C)CCOCC3)C[C@@H]2C)CC1 ZINC001286872538 1061278990 /nfs/dbraw/zinc/27/89/90/1061278990.db2.gz WAAGZZPEMODFQN-PZJWPPBQSA-N 0 3 460.667 2.771 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[C@@H]3CCOC3)C[C@@H]2C)CC1 ZINC001286872806 1061281857 /nfs/dbraw/zinc/28/18/57/1061281857.db2.gz YJPMGICZMGHKCR-KSEOMHKRSA-N 0 3 460.667 2.672 20 0 JFADHN CC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001286872829 1061281957 /nfs/dbraw/zinc/28/19/57/1061281957.db2.gz ULQJOFREDPUQSU-ZEQKJWHPSA-N 0 3 484.645 2.599 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccccn4)n3CCSC(C)C)C[C@H]2C)CC1 ZINC001286872968 1061283329 /nfs/dbraw/zinc/28/33/29/1061283329.db2.gz ZLBVUXLEZNYKJX-DENIHFKCSA-N 0 3 471.675 2.861 20 0 JFADHN CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](c3cccs3)N(C)C)C[C@H]2C)CC1 ZINC001286886259 1061328235 /nfs/dbraw/zinc/32/82/35/1061328235.db2.gz BQJPBPQBCXUOEM-HMXCVIKNSA-N 0 3 487.718 2.929 20 0 JFADHN CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](c3cccs3)N(C)C)C[C@@H]2C)CC1 ZINC001286886258 1061328392 /nfs/dbraw/zinc/32/83/92/1061328392.db2.gz BQJPBPQBCXUOEM-CEWLAPEOSA-N 0 3 487.718 2.929 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCN2CCC[C@@H](C)C2)cc1C ZINC001289737414 1061349568 /nfs/dbraw/zinc/34/95/68/1061349568.db2.gz FCJBDIRYUYWTTK-YLJYHZDGSA-N 0 3 467.618 2.581 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H](C)N2CCC(C)CC2)cc1C ZINC001289741469 1061356898 /nfs/dbraw/zinc/35/68/98/1061356898.db2.gz YNDQCQQVUPWYMY-RTWAWAEBSA-N 0 3 481.645 2.969 20 0 JFADHN Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@H]2C)cc1 ZINC001289750679 1061372285 /nfs/dbraw/zinc/37/22/85/1061372285.db2.gz JUOZYAKBWBVUDB-LJQANCHMSA-N 0 3 476.585 2.793 20 0 JFADHN CC(=O)N[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001286907619 1061438698 /nfs/dbraw/zinc/43/86/98/1061438698.db2.gz CYDCEAGPWNYLLT-UNMCSNQZSA-N 0 3 451.550 2.887 20 0 JFADHN Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC(C)(C)CN(C)C)cc1C ZINC001289808602 1061451670 /nfs/dbraw/zinc/45/16/70/1061451670.db2.gz KADXOZGYXMZROL-HXUWFJFHSA-N 0 3 463.648 2.685 20 0 JFADHN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CC2(O)CCOCC2)cc1C ZINC001289826381 1061502184 /nfs/dbraw/zinc/50/21/84/1061502184.db2.gz WCALJRDBQIDNII-UHFFFAOYSA-N 0 3 457.619 2.793 20 0 JFADHN CC(=O)NC1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001286919602 1061510732 /nfs/dbraw/zinc/51/07/32/1061510732.db2.gz MMERBTBMACREII-QFIPXVFZSA-N 0 3 451.550 2.887 20 0 JFADHN Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H](C)CN2CCCCC2)cc1C ZINC001289834221 1061510846 /nfs/dbraw/zinc/51/08/46/1061510846.db2.gz UMXZCNKMDFGWAN-IBGZPJMESA-N 0 3 475.659 2.831 20 0 JFADHN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@@H]3CCCCO3)n2CCN2CCCCC2)cc1 ZINC001289856601 1061536554 /nfs/dbraw/zinc/53/65/54/1061536554.db2.gz VEYKEUOIAXSZNB-QFIPXVFZSA-N 0 3 490.674 2.729 20 0 JFADHN Cc1cccc(C)c1OCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001289901110 1061586735 /nfs/dbraw/zinc/58/67/35/1061586735.db2.gz CAOOTPVXCKSDFF-HSZRJFAPSA-N 0 3 497.688 2.717 20 0 JFADHN CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CC=CCC2)CCO1 ZINC001286943258 1061599915 /nfs/dbraw/zinc/59/99/15/1061599915.db2.gz ZOKZXHVZQCEGMS-HSZRJFAPSA-N 0 3 466.630 2.846 20 0 JFADHN Cc1cccc(-c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CCOCC(F)(F)C(F)F)n1 ZINC001289985162 1061709192 /nfs/dbraw/zinc/70/91/92/1061709192.db2.gz HEIVVZQSSSZERP-KRWDZBQOSA-N 0 3 486.514 2.724 20 0 JFADHN Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC[C@@H](C)N(C)Cc2ccccc2)n1 ZINC001289992663 1061718035 /nfs/dbraw/zinc/71/80/35/1061718035.db2.gz RCSMSAVTCPCXRR-HXUWFJFHSA-N 0 3 468.627 2.794 20 0 JFADHN CCCCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCN(C)C(C)(C)C1 ZINC001294240912 1061751838 /nfs/dbraw/zinc/75/18/38/1061751838.db2.gz ZAYUZIYKUQQDIC-UHFFFAOYSA-N 0 3 490.722 2.891 20 0 JFADHN CCCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001294240173 1061752022 /nfs/dbraw/zinc/75/20/22/1061752022.db2.gz OBGYRHGPZYEGSR-HXUWFJFHSA-N 0 3 480.661 2.844 20 0 JFADHN COc1cc(OC)cc(N2CC[C@@H](NC(=O)Cc3csc(SCCN(C)C)n3)C2)c1 ZINC001294291327 1061776866 /nfs/dbraw/zinc/77/68/66/1061776866.db2.gz KEYKMVMYJYWPJS-OAHLLOKOSA-N 0 3 450.630 2.752 20 0 JFADHN CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001294297058 1061784897 /nfs/dbraw/zinc/78/48/97/1061784897.db2.gz QISLSZKJADAOCY-VQTJNVASSA-N 0 3 489.665 2.893 20 0 JFADHN CCCCn1cc(Cn2c(N3CCN(C(=O)CN4CCCC4)CC3)nnc2C(C)(C)C)c(C)n1 ZINC001294308976 1061797825 /nfs/dbraw/zinc/79/78/25/1061797825.db2.gz XMDOPNFWPLUAFK-UHFFFAOYSA-N 0 3 470.666 2.673 20 0 JFADHN CCCCN1CCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001294313761 1061806311 /nfs/dbraw/zinc/80/63/11/1061806311.db2.gz DVEYFNLHPRDODU-VXKWHMMOSA-N 0 3 474.675 2.932 20 0 JFADHN CCCCN1CCCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCS(=O)(=O)CC1 ZINC001294316392 1061810496 /nfs/dbraw/zinc/81/04/96/1061810496.db2.gz OFQSARHIKXHGAI-QFIPXVFZSA-N 0 3 459.660 2.953 20 0 JFADHN Cc1ccccc1-c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1CC1(N2CCCC2)CCOCC1 ZINC001290093422 1061824381 /nfs/dbraw/zinc/82/43/81/1061824381.db2.gz OZYFTGCUKSBWJR-HXUWFJFHSA-N 0 3 475.659 2.768 20 0 JFADHN CC(C)(C)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@H](c1ccco1)N1CCCC1 ZINC001287001212 1061916848 /nfs/dbraw/zinc/91/68/48/1061916848.db2.gz NSFCASRAAGNCRR-GOSISDBHSA-N 0 3 464.636 2.524 20 0 JFADHN CCCCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001294359383 1061931627 /nfs/dbraw/zinc/93/16/27/1061931627.db2.gz PMIZXFJRPHVHMP-RBUKOAKNSA-N 0 3 487.674 2.726 20 0 JFADHN Cc1ccccc1O[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001290199675 1061941326 /nfs/dbraw/zinc/94/13/26/1061941326.db2.gz LVXUMPICDKBSIZ-LEWJYISDSA-N 0 3 484.645 2.882 20 0 JFADHN Cc1ccccc1N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C(C)C)C(C)C)CC1 ZINC001290200200 1061942053 /nfs/dbraw/zinc/94/20/53/1061942053.db2.gz RXQWDFXJQPLCAP-JOCHJYFZSA-N 0 3 488.702 2.934 20 0 JFADHN Cc1ccccc1O[C@@H](C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001290204723 1061948265 /nfs/dbraw/zinc/94/82/65/1061948265.db2.gz NNGHMNFQJCLDFP-FCHUYYIVSA-N 0 3 468.646 2.995 20 0 JFADHN CCCCOc1ncccc1Cn1c(C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001294375745 1061949775 /nfs/dbraw/zinc/94/97/75/1061949775.db2.gz BPYHCBNXBFLWEP-WMZHIEFXSA-N 0 3 469.634 2.588 20 0 JFADHN CC(C)(C)Cc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC1(N2CCCC2)CCOCC1 ZINC001287031588 1061984589 /nfs/dbraw/zinc/98/45/89/1061984589.db2.gz IDOUOIHYOAWYOI-HXUWFJFHSA-N 0 3 481.707 2.915 20 0 JFADHN CC1=CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccs2)N2CCCC2)CC1 ZINC001290250110 1061988917 /nfs/dbraw/zinc/98/89/17/1061988917.db2.gz DZITWEXRODCHSC-ROUUACIJSA-N 0 3 464.661 2.943 20 0 JFADHN Cc1cnn([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCN3CCCC(C)(C)C3)C2)c1 ZINC001290270581 1061999646 /nfs/dbraw/zinc/99/96/46/1061999646.db2.gz BFRHOROIPMWMCB-HXUWFJFHSA-N 0 3 456.639 2.885 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001287042606 1062012834 /nfs/dbraw/zinc/01/28/34/1062012834.db2.gz DPRSDAOMYBJHAH-KRWDZBQOSA-N 0 3 481.066 2.801 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC(=O)N2CCOCC2)CC1 ZINC001287042771 1062013266 /nfs/dbraw/zinc/01/32/66/1062013266.db2.gz GWZCTQYONAKLOZ-UHFFFAOYSA-N 0 3 492.571 2.716 20 0 JFADHN CC(C)(C)N1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCSCCCO)CC1 ZINC001287043491 1062015448 /nfs/dbraw/zinc/01/54/48/1062015448.db2.gz FKJBUACWIUWDHV-HXUWFJFHSA-N 0 3 461.632 2.827 20 0 JFADHN CN(CCCNC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC001290318950 1062043226 /nfs/dbraw/zinc/04/32/26/1062043226.db2.gz RZNCGATVGMCBAJ-WJOKGBTCSA-N 0 3 451.633 2.773 20 0 JFADHN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1CCn1cncn1 ZINC001287054852 1062067767 /nfs/dbraw/zinc/06/77/67/1062067767.db2.gz YHVRUQSAHTWECN-SFHVURJKSA-N 0 3 473.626 2.562 20 0 JFADHN C[C@H](C(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C)N1CCC(Cc2ccccc2)CC1 ZINC001294571989 1062085462 /nfs/dbraw/zinc/08/54/62/1062085462.db2.gz GHEPNEIJWTYQDH-OFNKIYASSA-N 0 3 458.647 2.997 20 0 JFADHN Cc1nc(Cc2nnc(N(C)CC(F)(F)F)n2CCCN2CCC[C@H]2C(=O)N(C)C)cs1 ZINC001290391000 1062093370 /nfs/dbraw/zinc/09/33/70/1062093370.db2.gz JGXCOBYKESVATE-INIZCTEOSA-N 0 3 473.569 2.575 20 0 JFADHN CN(C)CCN(Cc1ccco1)C(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 ZINC001294590847 1062101116 /nfs/dbraw/zinc/10/11/16/1062101116.db2.gz QSEAKTOIHQZMSC-UHFFFAOYSA-N 0 3 456.547 2.594 20 0 JFADHN CCCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001294603545 1062114639 /nfs/dbraw/zinc/11/46/39/1062114639.db2.gz BACIANSHJUYASF-UHFFFAOYSA-N 0 3 461.408 2.862 20 0 JFADHN Cc1nc(Cc2nnc(N3C[C@@H]4CCCN4C[C@H]3C)n2CC[S@@](=O)C(C)(C)C)cs1 ZINC001290410087 1062125216 /nfs/dbraw/zinc/12/52/16/1062125216.db2.gz WUFGWXQKQORWDB-NKXGVUCQSA-N 0 3 450.678 2.854 20 0 JFADHN CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001294635586 1062147420 /nfs/dbraw/zinc/14/74/20/1062147420.db2.gz BGTXRQNZUBOJED-OALUTQOASA-N 0 3 475.638 2.503 20 0 JFADHN CC(C)(C)OC(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCC2)CC1 ZINC001287067013 1062155161 /nfs/dbraw/zinc/15/51/61/1062155161.db2.gz LVBKLJUZRMSMGP-UHFFFAOYSA-N 0 3 498.632 2.905 20 0 JFADHN CC(C)(C)OC(=O)NCCCCn1c([C@H]2CCCO2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001287067479 1062160568 /nfs/dbraw/zinc/16/05/68/1062160568.db2.gz QUEVIWWAEQYUAG-OAQYLSRUSA-N 0 3 492.665 2.983 20 0 JFADHN CC(C)(C)OC(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001287071281 1062200809 /nfs/dbraw/zinc/20/08/09/1062200809.db2.gz ZFZPSJSUBCBTBS-WOJBJXKFSA-N 0 3 478.638 2.593 20 0 JFADHN CC(C)(C)OC(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001287071277 1062201008 /nfs/dbraw/zinc/20/10/08/1062201008.db2.gz ZFZPSJSUBCBTBS-PMACEKPBSA-N 0 3 478.638 2.593 20 0 JFADHN CCCN1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(OC)c(F)c2)C1 ZINC001294658362 1062204049 /nfs/dbraw/zinc/20/40/49/1062204049.db2.gz PBZQGQARWROPGD-RTBURBONSA-N 0 3 479.622 2.696 20 0 JFADHN CCCN1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001294675011 1062234295 /nfs/dbraw/zinc/23/42/95/1062234295.db2.gz DJSGGMNGXZMRAG-CAQRMWTPSA-N 0 3 481.707 2.931 20 0 JFADHN CC(C)(O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC001287096028 1062300322 /nfs/dbraw/zinc/30/03/22/1062300322.db2.gz MLJXRJFHFXATSP-UHFFFAOYSA-N 0 3 455.607 2.789 20 0 JFADHN CCCN1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CC=CCC2)CC1=O ZINC001294725108 1062307670 /nfs/dbraw/zinc/30/76/70/1062307670.db2.gz RTYBRPAMYYXQHJ-UHFFFAOYSA-N 0 3 468.602 2.673 20 0 JFADHN CCN(CC)[C@@H](CNC(=O)c1cnn(C)c1I)c1cccc(OC)c1 ZINC001290520926 1062320316 /nfs/dbraw/zinc/32/03/16/1062320316.db2.gz RNOVDNPIVVXQSG-INIZCTEOSA-N 0 3 456.328 2.846 20 0 JFADHN CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001287109135 1062321611 /nfs/dbraw/zinc/32/16/11/1062321611.db2.gz HCRQRSIVFOAJBZ-IFMALSPDSA-N 0 3 472.609 2.919 20 0 JFADHN CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001287119138 1062358054 /nfs/dbraw/zinc/35/80/54/1062358054.db2.gz KDMOUJQAGATEEN-OALUTQOASA-N 0 3 470.647 2.784 20 0 JFADHN CCCn1nc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H](COC)OC)c2ccccc2c1=O ZINC001294772199 1062372994 /nfs/dbraw/zinc/37/29/94/1062372994.db2.gz YNZCIOAILCJNFF-IBGZPJMESA-N 0 3 497.644 2.647 20 0 JFADHN CC(C)C(=O)NC1CCN(c2nnc(CC(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001287122782 1062374496 /nfs/dbraw/zinc/37/44/96/1062374496.db2.gz CGKFMALMFJYGOG-OAQYLSRUSA-N 0 3 489.709 2.550 20 0 JFADHN CCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2Cc2ccccc2)C1 ZINC001294780853 1062384696 /nfs/dbraw/zinc/38/46/96/1062384696.db2.gz OLORDSJSDAFKGC-DHIUTWEWSA-N 0 3 495.672 2.824 20 0 JFADHN CCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2Cc2ccccc2)C1 ZINC001294780861 1062384771 /nfs/dbraw/zinc/38/47/71/1062384771.db2.gz OLORDSJSDAFKGC-XZOQPEGZSA-N 0 3 495.672 2.824 20 0 JFADHN CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001287125062 1062385421 /nfs/dbraw/zinc/38/54/21/1062385421.db2.gz ZLFNJXRKMRTTNT-FQEVSTJZSA-N 0 3 472.609 2.794 20 0 JFADHN Cc1cc(C)n([C@H]2CCCN(c3nnc(C(C)C)n3CCCN3CCC[C@H]3C(=O)N(C)C)C2)n1 ZINC001290581593 1062388096 /nfs/dbraw/zinc/38/80/96/1062388096.db2.gz NRKJVFPIZOGMMR-VXKWHMMOSA-N 0 3 470.666 2.999 20 0 JFADHN CC(C)C(=O)NCCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1cccs1)N(C)C ZINC001287131892 1062428227 /nfs/dbraw/zinc/42/82/27/1062428227.db2.gz DEHZXPQGNLOUHO-QGZVFWFLSA-N 0 3 487.630 2.579 20 0 JFADHN CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1ccco1)N1CCCC1 ZINC001287133868 1062445801 /nfs/dbraw/zinc/44/58/01/1062445801.db2.gz XAEZBZHMVRPGCM-PMACEKPBSA-N 0 3 458.607 2.811 20 0 JFADHN CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCCOC2)n1C[C@H](c1ccco1)N1CCCC1 ZINC001287133878 1062445906 /nfs/dbraw/zinc/44/59/06/1062445906.db2.gz XAEZBZHMVRPGCM-VQTJNVASSA-N 0 3 458.607 2.811 20 0 JFADHN CC(C)[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001287144793 1062509522 /nfs/dbraw/zinc/50/95/22/1062509522.db2.gz IJYYJVMZQYUIEY-JTSKRJEESA-N 0 3 495.466 2.612 20 0 JFADHN CC(C)[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001287146282 1062511960 /nfs/dbraw/zinc/51/19/60/1062511960.db2.gz PWOIOYVNNIDZNL-IERDGZPVSA-N 0 3 481.439 2.601 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H](c2cccs2)N(C)C)n1 ZINC001290636169 1062517973 /nfs/dbraw/zinc/51/79/73/1062517973.db2.gz UKZWWWPYKOSVTH-MOPGFXCFSA-N 0 3 470.647 2.596 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C)CN2CCCCC2)n1 ZINC001290638326 1062521406 /nfs/dbraw/zinc/52/14/06/1062521406.db2.gz BICKMAXQZRLMJQ-DENIHFKCSA-N 0 3 491.706 2.665 20 0 JFADHN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001287153150 1062530291 /nfs/dbraw/zinc/53/02/91/1062530291.db2.gz MYDKJZNTORFCRY-WWPVKYPJSA-N 0 3 495.672 2.909 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)n1 ZINC001290648414 1062545112 /nfs/dbraw/zinc/54/51/12/1062545112.db2.gz UXEOYAVZYFNMDN-NRFANRHFSA-N 0 3 490.578 2.969 20 0 JFADHN CC(C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001287158667 1062553032 /nfs/dbraw/zinc/55/30/32/1062553032.db2.gz GWKXPLYRNKYYAN-WOJBJXKFSA-N 0 3 462.639 2.863 20 0 JFADHN CC(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001287163632 1062570483 /nfs/dbraw/zinc/57/04/83/1062570483.db2.gz XCPQCDLBZCKPFJ-FCHUYYIVSA-N 0 3 474.675 2.788 20 0 JFADHN CCCNC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001294872203 1062579907 /nfs/dbraw/zinc/57/99/07/1062579907.db2.gz NQCZFRWWDFCNGP-KJXAQDMKSA-N 0 3 490.693 2.803 20 0 JFADHN CC(C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001287200900 1062640558 /nfs/dbraw/zinc/64/05/58/1062640558.db2.gz JSGSKFBLSTWIIM-PVAZPRTOSA-N 0 3 472.703 2.933 20 0 JFADHN CC(C)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCCN1CCN(c2ccccc2)CC1 ZINC001287205798 1062651740 /nfs/dbraw/zinc/65/17/40/1062651740.db2.gz DOQCXCHQHLIYPW-OAQYLSRUSA-N 0 3 453.635 2.706 20 0 JFADHN Cc1nnc(N(C)CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001290736895 1062657827 /nfs/dbraw/zinc/65/78/27/1062657827.db2.gz GQTUKJXRKYMBLK-VXKWHMMOSA-N 0 3 469.678 2.733 20 0 JFADHN CC(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1c(F)cccc1OC(F)F ZINC001287214246 1062676243 /nfs/dbraw/zinc/67/62/43/1062676243.db2.gz LLMBCNGMJTWKPJ-UHFFFAOYSA-N 0 3 480.535 2.935 20 0 JFADHN Cc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1CCCN1CCc2ccccc2C1 ZINC001290763009 1062678493 /nfs/dbraw/zinc/67/84/93/1062678493.db2.gz OEOBXNUXVKWLQX-LJQANCHMSA-N 0 3 450.509 2.540 20 0 JFADHN CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001287214667 1062679729 /nfs/dbraw/zinc/67/97/29/1062679729.db2.gz PBHFMDTVWFQFDP-IFMALSPDSA-N 0 3 453.635 2.669 20 0 JFADHN Cc1nnc(N2CCC(CN3CCOCC3)CC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001290793117 1062698661 /nfs/dbraw/zinc/69/86/61/1062698661.db2.gz PPSCKEFOKRWAQX-UHFFFAOYSA-N 0 3 461.920 2.589 20 0 JFADHN CC(C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001287220420 1062704738 /nfs/dbraw/zinc/70/47/38/1062704738.db2.gz VZHFUZIZVPHNNX-ZWKOTPCHSA-N 0 3 458.573 2.975 20 0 JFADHN CC(C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1cccnc1OCC(F)F ZINC001287223925 1062710955 /nfs/dbraw/zinc/71/09/55/1062710955.db2.gz PUMHOKSRMNLWNR-QGZVFWFLSA-N 0 3 450.534 2.647 20 0 JFADHN CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC001290820089 1062715032 /nfs/dbraw/zinc/71/50/32/1062715032.db2.gz KTSIDSFYKWMYKN-RPWUZVMVSA-N 0 3 452.599 2.839 20 0 JFADHN CCCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CC(C)C)CC2)cn1 ZINC001294948510 1062734672 /nfs/dbraw/zinc/73/46/72/1062734672.db2.gz NOCDVDIQSSMVRI-UHFFFAOYSA-N 0 3 455.607 2.524 20 0 JFADHN CCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCCC3)CC2)cn1 ZINC001294948949 1062735141 /nfs/dbraw/zinc/73/51/41/1062735141.db2.gz QBFNGCXSVZYLPG-UHFFFAOYSA-N 0 3 455.607 2.713 20 0 JFADHN Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001290853016 1062738029 /nfs/dbraw/zinc/73/80/29/1062738029.db2.gz UKONINRUMSPEFS-JOCHJYFZSA-N 0 3 497.644 2.919 20 0 JFADHN CC(C)[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001287270730 1062744988 /nfs/dbraw/zinc/74/49/88/1062744988.db2.gz DELMTDFWIXWBHR-IBGZPJMESA-N 0 3 473.691 2.778 20 0 JFADHN Cc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1CCN(C)Cc1ccccc1 ZINC001290866959 1062749412 /nfs/dbraw/zinc/74/94/12/1062749412.db2.gz GKYVQAMDDCXTBJ-UHFFFAOYSA-N 0 3 467.662 2.632 20 0 JFADHN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC001294973745 1062757613 /nfs/dbraw/zinc/75/76/13/1062757613.db2.gz LTLJZNUKYZTNKI-NBGIEHNGSA-N 0 3 459.587 2.855 20 0 JFADHN Cc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC001290872046 1062758037 /nfs/dbraw/zinc/75/80/37/1062758037.db2.gz PXVVLBCUIQEUGV-RTBURBONSA-N 0 3 465.568 2.870 20 0 JFADHN Cc1nnc(N2CCN(C[C@@H](O)COc3ccccc3)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001290872342 1062758116 /nfs/dbraw/zinc/75/81/16/1062758116.db2.gz ZFNXRXPBJRCKIS-FYYLOGMGSA-N 0 3 470.643 2.513 20 0 JFADHN Cc1[nH]nc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c1I ZINC001294974465 1062759044 /nfs/dbraw/zinc/75/90/44/1062759044.db2.gz YCTWSDZBUYBQLQ-UHFFFAOYSA-N 0 3 454.312 2.779 20 0 JFADHN CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C(C)C)C1)N1CCCC1 ZINC001287286695 1062760586 /nfs/dbraw/zinc/76/05/86/1062760586.db2.gz IGJBGCWMSWAXOX-AABGKKOBSA-N 0 3 469.721 2.878 20 0 JFADHN CC(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C(C)C)C1)N1CCCC1 ZINC001287286715 1062760628 /nfs/dbraw/zinc/76/06/28/1062760628.db2.gz IGJBGCWMSWAXOX-ZCNNSNEGSA-N 0 3 469.721 2.878 20 0 JFADHN CC(C)[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(F)cc2)N(C)C)CCO1 ZINC001287296171 1062769032 /nfs/dbraw/zinc/76/90/32/1062769032.db2.gz RBCAGNLINVZSQH-NHCUHLMSSA-N 0 3 458.582 2.704 20 0 JFADHN CCCO[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(N(C)C)CCSC2)CC1 ZINC001294986227 1062773063 /nfs/dbraw/zinc/77/30/63/1062773063.db2.gz DTFOXXBNJPAKAX-AUSIDOKSSA-N 0 3 464.680 2.737 20 0 JFADHN CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3[C@@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]43)cc2)CC1 ZINC001290920190 1062795296 /nfs/dbraw/zinc/79/52/96/1062795296.db2.gz FJMHNNPRPGABKT-ZRBLBEILSA-N 0 3 456.631 2.943 20 0 JFADHN CCc1c(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)nnn1Cc1ccc(F)cc1 ZINC001290920333 1062795960 /nfs/dbraw/zinc/79/59/60/1062795960.db2.gz HOVQHJISTXWYMI-UHFFFAOYSA-N 0 3 450.562 2.705 20 0 JFADHN CC(C)C[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS(=O)(=O)CC1)N(C)C ZINC001287335082 1062813484 /nfs/dbraw/zinc/81/34/84/1062813484.db2.gz ZBJMRNRHZNLYDL-IBGZPJMESA-N 0 3 472.615 2.811 20 0 JFADHN Cc1noc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCN3CCCC(C)(C)C3)C2)n1 ZINC001290943788 1062817003 /nfs/dbraw/zinc/81/70/03/1062817003.db2.gz LTDHTKFQULABBW-GOSISDBHSA-N 0 3 458.611 2.614 20 0 JFADHN CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccccc3F)n2CCN2CC=CCC2)CC1 ZINC001295018518 1062818387 /nfs/dbraw/zinc/81/83/87/1062818387.db2.gz YQWGYNYPVPTDEO-UHFFFAOYSA-N 0 3 476.622 2.644 20 0 JFADHN CC(C)Cc1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001287373075 1062832616 /nfs/dbraw/zinc/83/26/16/1062832616.db2.gz VAXRZLSSWIUKFA-NHCUHLMSSA-N 0 3 484.645 2.696 20 0 JFADHN CC(C)Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCNC(=O)c1cccs1 ZINC001287417620 1062854770 /nfs/dbraw/zinc/85/47/70/1062854770.db2.gz BSNYYLDHOSVLOV-HXUWFJFHSA-N 0 3 473.691 2.573 20 0 JFADHN CC(C)Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@](C)(O)c1ccccc1 ZINC001287417637 1062855895 /nfs/dbraw/zinc/85/58/95/1062855895.db2.gz CEQSBWPIZCTAHU-OZXSUGGESA-N 0 3 454.663 2.989 20 0 JFADHN C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)nc2)n1CCN(C)Cc1ccc(F)cc1 ZINC001290976963 1062859273 /nfs/dbraw/zinc/85/92/73/1062859273.db2.gz WNBPOHUITAVBIX-MRXNPFEDSA-N 0 3 471.968 2.932 20 0 JFADHN CC(C)Cc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001287448853 1062885408 /nfs/dbraw/zinc/88/54/08/1062885408.db2.gz XSUMVCNQZGXTGH-VXKWHMMOSA-N 0 3 492.665 2.923 20 0 JFADHN C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001291000595 1062896014 /nfs/dbraw/zinc/89/60/14/1062896014.db2.gz VQXZOERDKZBWQY-GUDVDZBRSA-N 0 3 467.680 2.552 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCOc1ccccc1 ZINC001287462203 1062901202 /nfs/dbraw/zinc/90/12/02/1062901202.db2.gz JUEBDHYZUKLICH-JOCHJYFZSA-N 0 3 454.619 2.689 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001287464943 1062910149 /nfs/dbraw/zinc/91/01/49/1062910149.db2.gz TXWDZLWCZBXODW-ZJSXRUAMSA-N 0 3 460.667 2.672 20 0 JFADHN C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1CCCN1C[C@H](C)C[C@H](C)C1 ZINC001291013614 1062921146 /nfs/dbraw/zinc/92/11/46/1062921146.db2.gz PJWDCULWRZTYTO-ZGXWSNOMSA-N 0 3 455.669 2.757 20 0 JFADHN C[C@H]([C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCCN1C[C@H](C)C[C@H](C)C1)S(C)(=O)=O ZINC001291013784 1062921615 /nfs/dbraw/zinc/92/16/15/1062921615.db2.gz RQYQKPXGCJYZQW-QGLKVJOYSA-N 0 3 469.696 2.798 20 0 JFADHN C[C@H]1C[C@H](C)CN(CCCn2c(Cc3ccccc3F)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001291014391 1062923702 /nfs/dbraw/zinc/92/37/02/1062923702.db2.gz CFHXHPDGIOPNRW-OALUTQOASA-N 0 3 465.639 2.857 20 0 JFADHN C[C@@H]1C[C@H](C)CN(CCCn2c(Cc3ccsc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001291015706 1062926887 /nfs/dbraw/zinc/92/68/87/1062926887.db2.gz VGXYAOYQISZPOH-WSTZPKSXSA-N 0 3 465.689 2.922 20 0 JFADHN CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1CCN(C)Cc1ccccc1 ZINC001287477447 1062934689 /nfs/dbraw/zinc/93/46/89/1062934689.db2.gz YKVYORLUSKILGD-UHFFFAOYSA-N 0 3 481.689 2.743 20 0 JFADHN CC(C)Cc1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001287506462 1062954950 /nfs/dbraw/zinc/95/49/50/1062954950.db2.gz SNZCOVJKXUBZHY-ZWKOTPCHSA-N 0 3 464.565 2.940 20 0 JFADHN CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295169338 1062992697 /nfs/dbraw/zinc/99/26/97/1062992697.db2.gz FKVHQAWGLQCQCA-GOSISDBHSA-N 0 3 467.039 2.883 20 0 JFADHN CC(C)N(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1)C(C)C ZINC001291061945 1062998860 /nfs/dbraw/zinc/99/88/60/1062998860.db2.gz FFAQJPCANSUIHI-KOENEWCDSA-N 0 3 494.750 3.000 20 0 JFADHN CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295175701 1062999760 /nfs/dbraw/zinc/99/97/60/1062999760.db2.gz MZFXJHHRJLVOSZ-MOPGFXCFSA-N 0 3 477.631 2.664 20 0 JFADHN CC(C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001287620908 1063006217 /nfs/dbraw/zinc/00/62/17/1063006217.db2.gz PINRCBSTHYYZOM-RTWAWAEBSA-N 0 3 492.665 2.791 20 0 JFADHN CC(C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001287620909 1063006398 /nfs/dbraw/zinc/00/63/98/1063006398.db2.gz PINRCBSTHYYZOM-SFTDATJTSA-N 0 3 492.665 2.791 20 0 JFADHN C[C@@H]1CCC[C@@](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccn2)(N(C)C)C1 ZINC001291067401 1063013751 /nfs/dbraw/zinc/01/37/51/1063013751.db2.gz AMCCNCSKTWXQBE-SELNLUPBSA-N 0 3 460.648 2.722 20 0 JFADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC001291068012 1063015376 /nfs/dbraw/zinc/01/53/76/1063015376.db2.gz ICGYGMOBVSXILV-UGVAJALESA-N 0 3 455.669 2.550 20 0 JFADHN CC(C)CN(c1nnc(C(=O)N2CCCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C)C1CCCC1 ZINC001287692150 1063039529 /nfs/dbraw/zinc/03/95/29/1063039529.db2.gz PEBANTSWRDKOSI-JOCHJYFZSA-N 0 3 487.693 2.862 20 0 JFADHN CC(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001287716490 1063048445 /nfs/dbraw/zinc/04/84/45/1063048445.db2.gz HEZRJYFMRJEFCY-UHFFFAOYSA-N 0 3 485.658 2.802 20 0 JFADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001291090258 1063049593 /nfs/dbraw/zinc/04/95/93/1063049593.db2.gz SMAGJTYQYPSWQI-MBOZVWFJSA-N 0 3 466.627 2.957 20 0 JFADHN CCN(c1nnc(Cc2ccccn2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295230380 1063053340 /nfs/dbraw/zinc/05/33/40/1063053340.db2.gz XPLCYJJMXIOPQU-TZIWHRDSSA-N 0 3 460.648 2.542 20 0 JFADHN CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001287740570 1063064905 /nfs/dbraw/zinc/06/49/05/1063064905.db2.gz GQZFMPWLGWSCPO-IBGZPJMESA-N 0 3 479.670 2.744 20 0 JFADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1CCCN1CCCC[C@H]1C ZINC001291100291 1063067963 /nfs/dbraw/zinc/06/79/63/1063067963.db2.gz XIXNNLFNAIRCMS-AQNXPRMDSA-N 0 3 462.664 2.786 20 0 JFADHN CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295256582 1063072443 /nfs/dbraw/zinc/07/24/43/1063072443.db2.gz NTNVDWVMTJWUFT-ICSRJNTNSA-N 0 3 479.622 2.742 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001287751520 1063077859 /nfs/dbraw/zinc/07/78/59/1063077859.db2.gz XNIWCKNIEDAWRH-YESZJQIVSA-N 0 3 480.601 2.960 20 0 JFADHN C[C@H]1CCCN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001291103004 1063079475 /nfs/dbraw/zinc/07/94/75/1063079475.db2.gz WTIDFDHMDDPUMW-VQTJNVASSA-N 0 3 480.723 2.611 20 0 JFADHN C[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCOCC2)C1 ZINC001291112161 1063113538 /nfs/dbraw/zinc/11/35/38/1063113538.db2.gz GGKPXSZTVPMHEL-SFHVURJKSA-N 0 3 461.632 2.696 20 0 JFADHN C[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001291120765 1063132169 /nfs/dbraw/zinc/13/21/69/1063132169.db2.gz JHIZCGJDGDVGGK-UNMCSNQZSA-N 0 3 453.635 2.833 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCN1CCC[C@@H](C)C1 ZINC001291127113 1063160281 /nfs/dbraw/zinc/16/02/81/1063160281.db2.gz YXALBVUYHAZGNZ-IERDGZPVSA-N 0 3 474.572 2.678 20 0 JFADHN CCN(CC)C(=O)CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@@H]2C)CC1 ZINC001295306347 1063170336 /nfs/dbraw/zinc/17/03/36/1063170336.db2.gz UAZLCTQCXWJDHV-NRFANRHFSA-N 0 3 487.693 2.863 20 0 JFADHN C[C@@H]1CCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001291135513 1063188008 /nfs/dbraw/zinc/18/80/08/1063188008.db2.gz CWSJXBRCPGUUGA-RTBURBONSA-N 0 3 498.632 2.855 20 0 JFADHN C[C@H]1CCCN1CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001291136248 1063192158 /nfs/dbraw/zinc/19/21/58/1063192158.db2.gz SZEOATIPCZRQTG-IRXDYDNUSA-N 0 3 458.529 2.546 20 0 JFADHN C[C@@H]1CCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291136564 1063193409 /nfs/dbraw/zinc/19/34/09/1063193409.db2.gz ZLMSKSNQRHWTNG-MSOLQXFVSA-N 0 3 484.605 2.513 20 0 JFADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC001295323771 1063206897 /nfs/dbraw/zinc/20/68/97/1063206897.db2.gz TVUXQSSIOYCAIJ-WMZOPIPTSA-N 0 3 459.597 2.697 20 0 JFADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC001295323769 1063207035 /nfs/dbraw/zinc/20/70/35/1063207035.db2.gz TVUXQSSIOYCAIJ-FUHWJXTLSA-N 0 3 459.597 2.697 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001291140671 1063210976 /nfs/dbraw/zinc/21/09/76/1063210976.db2.gz BYOBPLQQQBPZSL-UXHICEINSA-N 0 3 491.681 2.982 20 0 JFADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001291147533 1063233886 /nfs/dbraw/zinc/23/38/86/1063233886.db2.gz AASHNASUSVGHRZ-IXDOHACOSA-N 0 3 452.650 2.633 20 0 JFADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001291147532 1063233955 /nfs/dbraw/zinc/23/39/55/1063233955.db2.gz AASHNASUSVGHRZ-IKGGRYGDSA-N 0 3 452.650 2.633 20 0 JFADHN CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001295351945 1063298740 /nfs/dbraw/zinc/29/87/40/1063298740.db2.gz TZXNYIDWDMXHRC-YADHBBJMSA-N 0 3 469.634 2.669 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001295365315 1063327766 /nfs/dbraw/zinc/32/77/66/1063327766.db2.gz GXLSTPVCXSIVGM-AZUAARDMSA-N 0 3 485.658 2.806 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001295366890 1063331094 /nfs/dbraw/zinc/33/10/94/1063331094.db2.gz VNFYICODKAKVEH-PKOBYXMFSA-N 0 3 456.616 2.847 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001295379891 1063351791 /nfs/dbraw/zinc/35/17/91/1063351791.db2.gz NJNNDBLBJRJRQX-DOTOQJQBSA-N 0 3 455.575 2.825 20 0 JFADHN COC(=O)[C@H](CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)Cc1ccccc1OC ZINC001295382961 1063355575 /nfs/dbraw/zinc/35/55/75/1063355575.db2.gz MXXKESWDVLHRAV-QFIPXVFZSA-N 0 3 453.583 2.987 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001295385569 1063361564 /nfs/dbraw/zinc/36/15/64/1063361564.db2.gz MZXHIVBWJKJYEB-CTNGQTDRSA-N 0 3 463.648 2.828 20 0 JFADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001291205542 1063364798 /nfs/dbraw/zinc/36/47/98/1063364798.db2.gz KKPNANAYKGAHOG-FZKCQIBNSA-N 0 3 472.706 2.583 20 0 JFADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)C2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001291205977 1063366457 /nfs/dbraw/zinc/36/64/57/1063366457.db2.gz QQBDCRRVVUPLHE-BRWVUGGUSA-N 0 3 484.717 2.729 20 0 JFADHN CCN(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cnccn1)c1ccsc1 ZINC001295398009 1063384889 /nfs/dbraw/zinc/38/48/89/1063384889.db2.gz AGWAZIFGIMJRTJ-MOPGFXCFSA-N 0 3 454.604 2.800 20 0 JFADHN CCN(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(C(=O)NC)C1)c1ccsc1 ZINC001295403895 1063389028 /nfs/dbraw/zinc/38/90/28/1063389028.db2.gz GZJNHKSFDZJHKE-YADARESESA-N 0 3 487.674 2.508 20 0 JFADHN CCN(CC)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccsc1 ZINC001295404261 1063390333 /nfs/dbraw/zinc/39/03/33/1063390333.db2.gz IZGXZKPMVXYUEB-RQIDZSJNSA-N 0 3 490.674 2.814 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(C)=O)CC1)c1ccco1 ZINC001295404975 1063391742 /nfs/dbraw/zinc/39/17/42/1063391742.db2.gz FFUWPQMNOWFSNX-NHCUHLMSSA-N 0 3 458.607 2.811 20 0 JFADHN CC(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C)C1)N1CCCC1 ZINC001291214371 1063413377 /nfs/dbraw/zinc/41/33/77/1063413377.db2.gz VFPJYINZZJTXAY-RXVVDRJESA-N 0 3 461.632 2.694 20 0 JFADHN CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCCC2)CCOCC1 ZINC001295430293 1063440823 /nfs/dbraw/zinc/44/08/23/1063440823.db2.gz PIALDPWBKJCXAX-UHFFFAOYSA-N 0 3 461.632 2.840 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCC2(C)C)CC1 ZINC001295479979 1063489583 /nfs/dbraw/zinc/48/95/83/1063489583.db2.gz JGQOMQONONIRML-FQEVSTJZSA-N 0 3 496.660 2.742 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2-n2ccnc2)CC1 ZINC001295480884 1063491579 /nfs/dbraw/zinc/49/15/79/1063491579.db2.gz PUQPVVUHNQMDSK-UHFFFAOYSA-N 0 3 478.645 2.800 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(C)cc2N2CCOCC2)CC1 ZINC001295480935 1063491614 /nfs/dbraw/zinc/49/16/14/1063491614.db2.gz QPWRBAQOWCSOLM-UHFFFAOYSA-N 0 3 497.688 2.585 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001295481013 1063491693 /nfs/dbraw/zinc/49/16/93/1063491693.db2.gz RLZQNEZKRVKGDC-VWLOTQADSA-N 0 3 462.683 2.897 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCOc2ncccc2Cl)CC1 ZINC001295481790 1063493628 /nfs/dbraw/zinc/49/36/28/1063493628.db2.gz ZKRFWKANWWXMMJ-UHFFFAOYSA-N 0 3 478.041 2.693 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2CCc2ccc(C)c(OC)c2)CC1 ZINC001295481382 1063493670 /nfs/dbraw/zinc/49/36/70/1063493670.db2.gz WSBAXTIPVQEXHO-UHFFFAOYSA-N 0 3 456.635 2.952 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CCC(C)(F)F)CC1 ZINC001295481971 1063495678 /nfs/dbraw/zinc/49/56/78/1063495678.db2.gz CWLIMBNTSZQJRR-UHFFFAOYSA-N 0 3 464.561 2.989 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2[C@@H]2C[C@H]2C)CC1 ZINC001295482353 1063499935 /nfs/dbraw/zinc/49/99/35/1063499935.db2.gz LGJCDQJAQJKRPM-DYESRHJHSA-N 0 3 456.591 2.534 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001295482632 1063503326 /nfs/dbraw/zinc/50/33/26/1063503326.db2.gz VUTNXALNSCIZSB-HXUWFJFHSA-N 0 3 458.607 2.652 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cc(C)nn2C)CC1 ZINC001295482616 1063503396 /nfs/dbraw/zinc/50/33/96/1063503396.db2.gz VBPGXMMSXJWHFE-UHFFFAOYSA-N 0 3 485.036 2.679 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(Cl)c2C)CC1 ZINC001295483379 1063507076 /nfs/dbraw/zinc/50/70/76/1063507076.db2.gz CRVGCNSBCFHRHP-HXUWFJFHSA-N 0 3 475.037 2.783 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC(C)C)cc2)CC1 ZINC001295483481 1063507803 /nfs/dbraw/zinc/50/78/03/1063507803.db2.gz FWDPCWJNCGGNGR-QFIPXVFZSA-N 0 3 484.645 2.608 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2cccnc2)C(C)C)CC1 ZINC001295483563 1063507898 /nfs/dbraw/zinc/50/78/98/1063507898.db2.gz GWLVOKFIWKGPMQ-GOTSBHOMSA-N 0 3 483.661 2.607 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001295483574 1063508544 /nfs/dbraw/zinc/50/85/44/1063508544.db2.gz HINPUKNTQMTDSH-IBGZPJMESA-N 0 3 491.681 2.791 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@@](C)(O)c2ccccc2)CC1 ZINC001295483778 1063508609 /nfs/dbraw/zinc/50/86/09/1063508609.db2.gz HJECACIACFLCSZ-WNCULLNHSA-N 0 3 498.672 2.808 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2Cc2ccc(OC)cc2)CC1 ZINC001295484303 1063509893 /nfs/dbraw/zinc/50/98/93/1063509893.db2.gz LMZGBXJGRFICQN-UHFFFAOYSA-N 0 3 454.619 2.983 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001295484380 1063510490 /nfs/dbraw/zinc/51/04/90/1063510490.db2.gz MWXLZERLYVKOQP-XJUOHMSHSA-N 0 3 490.693 2.614 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 ZINC001295484750 1063512981 /nfs/dbraw/zinc/51/29/81/1063512981.db2.gz RAAQKNUQWRLTFX-YADARESESA-N 0 3 457.623 2.611 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCc2nc(C)c(C)s2)CC1 ZINC001295485003 1063513649 /nfs/dbraw/zinc/51/36/49/1063513649.db2.gz SNHZRCAZFHNKGC-UHFFFAOYSA-N 0 3 470.647 2.580 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C)cc2C)CC1 ZINC001295490625 1063516987 /nfs/dbraw/zinc/51/69/87/1063516987.db2.gz BLVSMHAIHCEMCE-UHFFFAOYSA-N 0 3 475.641 2.919 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)SC)CC1 ZINC001295490663 1063518000 /nfs/dbraw/zinc/51/80/00/1063518000.db2.gz CYOIZJVSOSCDIG-GOSISDBHSA-N 0 3 462.639 2.750 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)c(O)c2)CC1 ZINC001295490918 1063519151 /nfs/dbraw/zinc/51/91/51/1063519151.db2.gz JDVYEPLZQCJOLN-UHFFFAOYSA-N 0 3 472.634 2.620 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(F)cn2)CC1 ZINC001295491029 1063520465 /nfs/dbraw/zinc/52/04/65/1063520465.db2.gz NIOLOSSXNWIOTL-UHFFFAOYSA-N 0 3 499.566 2.569 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)Oc2ccccc2)CC1 ZINC001295491201 1063521690 /nfs/dbraw/zinc/52/16/90/1063521690.db2.gz QLWIPCBNQIEEHH-RBBKRZOGSA-N 0 3 470.618 2.588 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(C)COC2)CC1 ZINC001295491132 1063521778 /nfs/dbraw/zinc/52/17/78/1063521778.db2.gz PQDITEUHQXNDMN-UHFFFAOYSA-N 0 3 484.645 2.501 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CCc2ccccn2)CC1 ZINC001295491294 1063522515 /nfs/dbraw/zinc/52/25/15/1063522515.db2.gz RRUWMVJSYBJRNE-UHFFFAOYSA-N 0 3 479.604 2.636 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)cc2F)CC1 ZINC001295491576 1063522903 /nfs/dbraw/zinc/52/29/03/1063522903.db2.gz VCUNURLHZMULIL-UHFFFAOYSA-N 0 3 496.635 2.626 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCc2c(C)noc2C)CC1 ZINC001295491588 1063523836 /nfs/dbraw/zinc/52/38/36/1063523836.db2.gz VMFDNJZQPRNPPS-UHFFFAOYSA-N 0 3 485.658 2.768 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC[C@@H]2CCCCO2)CC1 ZINC001295491862 1063524892 /nfs/dbraw/zinc/52/48/92/1063524892.db2.gz XSCNPYRKXSNTOV-QFIPXVFZSA-N 0 3 460.667 2.960 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(Cl)cc2F)CC1 ZINC001295495000 1063530411 /nfs/dbraw/zinc/53/04/11/1063530411.db2.gz XPQOEVXIECHGGQ-HXUWFJFHSA-N 0 3 479.000 2.961 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001295573688 1063612250 /nfs/dbraw/zinc/61/22/50/1063612250.db2.gz ZZVYYBJTMAACBR-UAFMIMERSA-N 0 3 469.696 2.940 20 0 JFADHN C[C@@H]1CN(CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS(=O)CC2)CCCO1 ZINC001291287940 1063644832 /nfs/dbraw/zinc/64/48/32/1063644832.db2.gz KKHOSEUUFWEIDY-QGZVFWFLSA-N 0 3 483.585 2.616 20 0 JFADHN CCN(Cc1cnn(C)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001295646810 1063688323 /nfs/dbraw/zinc/68/83/23/1063688323.db2.gz MNLFQSOWFDBSAL-IBGZPJMESA-N 0 3 465.606 2.806 20 0 JFADHN CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CC=CCC1 ZINC001295653843 1063697938 /nfs/dbraw/zinc/69/79/38/1063697938.db2.gz ROJBGMXJJLZQCF-UHFFFAOYSA-N 0 3 451.575 2.984 20 0 JFADHN CCN(Cc1cnn(C)c1)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccs1)N(C)C ZINC001295663395 1063706673 /nfs/dbraw/zinc/70/66/73/1063706673.db2.gz SNKRAASUYRSHHH-GOSISDBHSA-N 0 3 456.620 2.525 20 0 JFADHN C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001291322892 1063768385 /nfs/dbraw/zinc/76/83/85/1063768385.db2.gz BVAQSJDMRNVIEK-HXOBKFHXSA-N 0 3 464.010 2.971 20 0 JFADHN C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001291322891 1063768470 /nfs/dbraw/zinc/76/84/70/1063768470.db2.gz BVAQSJDMRNVIEK-GAJHUEQPSA-N 0 3 464.010 2.971 20 0 JFADHN CCN(C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CC=CCC2)C1)CC(F)(F)F ZINC001295764097 1063770477 /nfs/dbraw/zinc/77/04/77/1063770477.db2.gz RKTWDDBWIHCHQY-GOSISDBHSA-N 0 3 466.556 2.651 20 0 JFADHN CCN(CCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCC(C)CC2)CC1)S(C)(=O)=O ZINC001295811405 1063810415 /nfs/dbraw/zinc/81/04/15/1063810415.db2.gz VEQMJAMZDIATHO-HRTMPFAESA-N 0 3 496.722 2.892 20 0 JFADHN CCC(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001291341250 1063820874 /nfs/dbraw/zinc/82/08/74/1063820874.db2.gz ZYBNYKGRSIGGAV-WMZOPIPTSA-N 0 3 454.604 2.595 20 0 JFADHN CCN(CCCn1c(N2CCN(C3Cc4ccccc4C3)CC2)nnc1C(C)(C)C)S(C)(=O)=O ZINC001295816060 1063821278 /nfs/dbraw/zinc/82/12/78/1063821278.db2.gz RUQYCECDWVCCTM-UHFFFAOYSA-N 0 3 488.702 2.537 20 0 JFADHN CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001291342660 1063826479 /nfs/dbraw/zinc/82/64/79/1063826479.db2.gz XUSCKUPWPTUETA-YPAWHYETSA-N 0 3 481.645 2.590 20 0 JFADHN CCN(CCn1c(-c2cccc(Br)c2)nnc1N(C)CCS(C)(=O)=O)C(C)C ZINC001295823983 1063831012 /nfs/dbraw/zinc/83/10/12/1063831012.db2.gz ZOSANXFLHLYEBG-UHFFFAOYSA-N 0 3 472.453 2.919 20 0 JFADHN CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(F)(F)F)C1)C(C)C ZINC001295827081 1063836010 /nfs/dbraw/zinc/83/60/10/1063836010.db2.gz KRDQUNDRNMTPFY-SFHVURJKSA-N 0 3 489.564 2.846 20 0 JFADHN CCN(CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCNC(=O)C1)CCC(F)(F)F ZINC001295829091 1063840267 /nfs/dbraw/zinc/84/02/67/1063840267.db2.gz GEODCWQNISTQBK-UHFFFAOYSA-N 0 3 462.879 2.948 20 0 JFADHN CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1)CCC(F)(F)F ZINC001295829331 1063840966 /nfs/dbraw/zinc/84/09/66/1063840966.db2.gz HOZYGTCGCAAIAY-HOTGVXAUSA-N 0 3 485.942 2.983 20 0 JFADHN CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)CCC(F)(F)F ZINC001295829330 1063841093 /nfs/dbraw/zinc/84/10/93/1063841093.db2.gz HOZYGTCGCAAIAY-CVEARBPZSA-N 0 3 485.942 2.983 20 0 JFADHN CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(N)=O)C1)CCC(F)(F)F ZINC001295830646 1063844679 /nfs/dbraw/zinc/84/46/79/1063844679.db2.gz QPXVGBZITOUCHI-HNNXBMFYSA-N 0 3 473.931 2.970 20 0 JFADHN CCN(CCn1c(-c2ccc3ccccc3n2)nnc1N1CCNC(=O)C1)CCC(F)(F)F ZINC001295831177 1063845899 /nfs/dbraw/zinc/84/58/99/1063845899.db2.gz VCAOREZSNCOKMF-UHFFFAOYSA-N 0 3 461.492 2.704 20 0 JFADHN CCN(CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001295831547 1063846734 /nfs/dbraw/zinc/84/67/34/1063846734.db2.gz ZUXWNMJZFXREEQ-IBGZPJMESA-N 0 3 479.647 2.706 20 0 JFADHN CCN(CCn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)CCC(F)(F)F ZINC001295835493 1063852087 /nfs/dbraw/zinc/85/20/87/1063852087.db2.gz FLSGOJZFJXTDMG-SFHVURJKSA-N 0 3 467.540 2.919 20 0 JFADHN CCN(CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1)CCC(F)(F)F ZINC001295836221 1063852572 /nfs/dbraw/zinc/85/25/72/1063852572.db2.gz POVLLKWCXRNBGD-LAUBAEHRSA-N 0 3 468.524 2.999 20 0 JFADHN CCN(CCn1c(-c2ccccc2C)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)CCC(F)(F)F ZINC001295836190 1063852617 /nfs/dbraw/zinc/85/26/17/1063852617.db2.gz PFBGYINDEOGBIG-IEBWSBKVSA-N 0 3 483.535 2.888 20 0 JFADHN CCN(CCn1c(C2CC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1)CCC(F)(F)F ZINC001295844462 1063864047 /nfs/dbraw/zinc/86/40/47/1063864047.db2.gz CKUUYJSKWCDWPM-UHFFFAOYSA-N 0 3 468.572 2.876 20 0 JFADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Br)o1)C(C)C ZINC001295850958 1063874669 /nfs/dbraw/zinc/87/46/69/1063874669.db2.gz ANAYKKFYADRJEZ-OAHLLOKOSA-N 0 3 488.452 2.902 20 0 JFADHN CC[C@@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001291361547 1063875024 /nfs/dbraw/zinc/87/50/24/1063875024.db2.gz OMFOHHGHWQUWHU-GAJHUEQPSA-N 0 3 465.545 2.866 20 0 JFADHN COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3C[C@@H]([NH+](C)C)[C@@H](SC)C3)c2)c1 ZINC001295851107 1063875281 /nfs/dbraw/zinc/87/52/81/1063875281.db2.gz CGAKLHBIGMDXQJ-CTNGQTDRSA-N 0 3 459.568 2.779 20 0 JFADHN CCN(CCn1c(Cc2c(F)cccc2F)nnc1N(CC)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC001295855575 1063885765 /nfs/dbraw/zinc/88/57/65/1063885765.db2.gz RPAQSOFFXJBAAE-KRWDZBQOSA-N 0 3 469.602 2.891 20 0 JFADHN CCN(CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001295865304 1063896688 /nfs/dbraw/zinc/89/66/88/1063896688.db2.gz IBFSPUWPRVLVMS-LJQANCHMSA-N 0 3 470.039 2.864 20 0 JFADHN CCN(CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001295866474 1063901549 /nfs/dbraw/zinc/90/15/49/1063901549.db2.gz XSYMGXBGRLQRLA-FQEVSTJZSA-N 0 3 467.611 2.740 20 0 JFADHN CCN(CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC001295867557 1063902539 /nfs/dbraw/zinc/90/25/39/1063902539.db2.gz VIISKUVMIPHRBQ-OALUTQOASA-N 0 3 477.654 2.576 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCN(C(C)C)C1 ZINC001295878832 1063921023 /nfs/dbraw/zinc/92/10/23/1063921023.db2.gz SELBZKWLOMMYCW-LJQANCHMSA-N 0 3 491.658 2.708 20 0 JFADHN CC[C@H](C)[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001291396762 1063952185 /nfs/dbraw/zinc/95/21/85/1063952185.db2.gz BWPUHBNHTBTDND-YADARESESA-N 0 3 450.672 2.654 20 0 JFADHN CC[C@H](C)[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001291396759 1063952339 /nfs/dbraw/zinc/95/23/39/1063952339.db2.gz BWPUHBNHTBTDND-CYFREDJKSA-N 0 3 450.672 2.654 20 0 JFADHN CC[C@H](C)[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)OC ZINC001291411746 1063987343 /nfs/dbraw/zinc/98/73/43/1063987343.db2.gz OISVCRNWPRMFAC-WEMPKCCASA-N 0 3 467.622 2.901 20 0 JFADHN CC[C@H](C)c1nnc(N(C)[C@H](C)CS(=O)(=O)CC)n1CC1(N2CCCC2)CCOCC1 ZINC001291430049 1064012551 /nfs/dbraw/zinc/01/25/51/1064012551.db2.gz SHKUOLGKDPCUSZ-RBUKOAKNSA-N 0 3 455.669 2.696 20 0 JFADHN CC[C@@H](C)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 ZINC001291434181 1064014422 /nfs/dbraw/zinc/01/44/22/1064014422.db2.gz JWNUJFGOCVUPAI-IFMALSPDSA-N 0 3 470.666 2.847 20 0 JFADHN CC[C@H](C)c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@@H](c1ccccc1OC)N1CCCC1 ZINC001291436130 1064017094 /nfs/dbraw/zinc/01/70/94/1064017094.db2.gz PKQPJAVWOXNNDV-UNMCSNQZSA-N 0 3 484.645 2.932 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCCOC)C[C@@H]1C ZINC001295975399 1064018673 /nfs/dbraw/zinc/01/86/73/1064018673.db2.gz CULRYWZELKMLSI-OALUTQOASA-N 0 3 453.591 2.917 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N(C)c2ccccc2)C[C@H]1C ZINC001295975488 1064019757 /nfs/dbraw/zinc/01/97/57/1064019757.db2.gz CKKRRYQYMUPKNI-HBMCJLEFSA-N 0 3 453.635 2.958 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)Nc2ccccc2)C[C@@H]1C ZINC001295975520 1064020189 /nfs/dbraw/zinc/02/01/89/1064020189.db2.gz CSVKUGJLCADHSX-RBUKOAKNSA-N 0 3 476.585 2.873 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@](C)(O)CCOC)C[C@H]1C ZINC001295975867 1064020744 /nfs/dbraw/zinc/02/07/44/1064020744.db2.gz FSFZAPKZMXKWBY-NXMSCROESA-N 0 3 493.052 2.568 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)NCc2ccccc2)C[C@@H]1C ZINC001295976046 1064021198 /nfs/dbraw/zinc/02/11/98/1064021198.db2.gz CBNBSDBYYTYIAW-BCQCSXDESA-N 0 3 498.672 2.944 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2OCCOC)C[C@@H]1C ZINC001295976612 1064022512 /nfs/dbraw/zinc/02/25/12/1064022512.db2.gz HPGSDZJQTCQCLQ-VQTJNVASSA-N 0 3 493.612 2.918 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2c(C)nn(C)c2C)C[C@H]1C ZINC001295977254 1064022992 /nfs/dbraw/zinc/02/29/92/1064022992.db2.gz NXVULBPQXDITLG-SJORKVTESA-N 0 3 485.658 2.666 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(C)(C)O)c2)C[C@H]1C ZINC001295977501 1064023890 /nfs/dbraw/zinc/02/38/90/1064023890.db2.gz LGUMVHGXRBPWIX-MOPGFXCFSA-N 0 3 454.619 2.709 20 0 JFADHN CC[C@H](C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 ZINC001291457787 1064024222 /nfs/dbraw/zinc/02/42/22/1064024222.db2.gz SWKQUXAJQBCIQQ-RJGXRXQPSA-N 0 3 498.720 2.922 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C ZINC001295977935 1064024950 /nfs/dbraw/zinc/02/49/50/1064024950.db2.gz MCNSIEKQXGGFFZ-CVEARBPZSA-N 0 3 477.009 2.808 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)C(C)C)C[C@@H]1C ZINC001295978840 1064027185 /nfs/dbraw/zinc/02/71/85/1064027185.db2.gz TYGWXUYTTQGGAL-BSRJHKFKSA-N 0 3 463.648 2.675 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCOCCS(C)(=O)=O)C[C@H]1C ZINC001295979131 1064027533 /nfs/dbraw/zinc/02/75/33/1064027533.db2.gz UWTSWQJDAISSLK-IAGOWNOFSA-N 0 3 470.039 2.579 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCOCC2CCOCC2)C[C@H]1C ZINC001295980101 1064029139 /nfs/dbraw/zinc/02/91/39/1064029139.db2.gz QJLPJMLWTJKYNH-WOJBJXKFSA-N 0 3 485.633 2.678 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(C)c(OC)c2)C[C@H]1C ZINC001295980169 1064029618 /nfs/dbraw/zinc/02/96/18/1064029618.db2.gz QUCIOBDPSOFPLP-UXHICEINSA-N 0 3 454.619 2.993 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(C)c(OC)c2)C[C@@H]1C ZINC001295980168 1064029653 /nfs/dbraw/zinc/02/96/53/1064029653.db2.gz QUCIOBDPSOFPLP-PMACEKPBSA-N 0 3 454.619 2.993 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cccnc2)C[C@H]1C ZINC001295980439 1064030523 /nfs/dbraw/zinc/03/05/23/1064030523.db2.gz ZAWZZFUQHBEIFT-RTBURBONSA-N 0 3 468.627 2.905 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCc1nccs1 ZINC001291470921 1064032382 /nfs/dbraw/zinc/03/23/82/1064032382.db2.gz XDONRGYMLPMNEU-NLWGTHIKSA-N 0 3 459.664 2.870 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001295981781 1064033158 /nfs/dbraw/zinc/03/31/58/1064033158.db2.gz RQLHGYWKWYXQQJ-XWSJACJDSA-N 0 3 476.588 2.805 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCCOC[C@@H]1CCCO1 ZINC001291471087 1064033404 /nfs/dbraw/zinc/03/34/04/1064033404.db2.gz YVTYJBLXKIVZCC-HIGZBPRKSA-N 0 3 490.693 2.756 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC1(C)CCOCC1 ZINC001291471093 1064033424 /nfs/dbraw/zinc/03/34/24/1064033424.db2.gz YWPJVZTVBLRQJC-TUNNFDKTSA-N 0 3 460.667 2.987 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2cc(C)oc2C)C[C@@H]1C ZINC001295982246 1064034174 /nfs/dbraw/zinc/03/41/74/1064034174.db2.gz WWSWNOCXGBVQTF-UAVUOLJFSA-N 0 3 458.607 2.551 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)c2ccc(C)s2)C[C@@H]1C ZINC001295982147 1064034257 /nfs/dbraw/zinc/03/42/57/1064034257.db2.gz WKBPQGSGTJRQHI-JKSUJKDBSA-N 0 3 468.693 2.843 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)C[C@@H]1C ZINC001295982636 1064035743 /nfs/dbraw/zinc/03/57/43/1064035743.db2.gz XKUXDDHZAFPCNB-DLBZAZTESA-N 0 3 490.052 2.553 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2nncn2C)C[C@H]1C ZINC001295983085 1064037561 /nfs/dbraw/zinc/03/75/61/1064037561.db2.gz HFXAIHJCNMPSDI-QZTJIDSGSA-N 0 3 468.606 2.837 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2nncn2C)C[C@H]1C ZINC001295983083 1064037639 /nfs/dbraw/zinc/03/76/39/1064037639.db2.gz HFXAIHJCNMPSDI-MSOLQXFVSA-N 0 3 468.606 2.837 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)C[C@@H]1C ZINC001295983213 1064038509 /nfs/dbraw/zinc/03/85/09/1064038509.db2.gz ZKCQJYMJTCOSAX-CNNODRBYSA-N 0 3 497.644 2.501 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3cccc(OC)c3)CC2)C[C@H]1C ZINC001295983886 1064040197 /nfs/dbraw/zinc/04/01/97/1064040197.db2.gz XMZRDRGTOZXWFS-QYZOEREBSA-N 0 3 490.674 2.548 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCC(=O)N2)C[C@H]1C ZINC001295984050 1064040733 /nfs/dbraw/zinc/04/07/33/1064040733.db2.gz KIVRTGVDJFGENU-HLLBOEOZSA-N 0 3 491.434 2.914 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2SC)C[C@@H]1C ZINC001295984239 1064041425 /nfs/dbraw/zinc/04/14/25/1064041425.db2.gz YITHLWMBGBKEHH-BZSNNMDCSA-N 0 3 480.704 2.886 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1CCCN1CCN(CC)CC1 ZINC001291484627 1064041517 /nfs/dbraw/zinc/04/15/17/1064041517.db2.gz CEXHQALFWKNXIB-GOSISDBHSA-N 0 3 487.615 2.714 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCNS(=O)(=O)CC)C[C@@H]1C ZINC001295985486 1064042357 /nfs/dbraw/zinc/04/23/57/1064042357.db2.gz RGEYWRANCHTEJM-DLBZAZTESA-N 0 3 469.055 2.847 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H]1C ZINC001295990136 1064045020 /nfs/dbraw/zinc/04/50/20/1064045020.db2.gz FCQRYGDNFGQRPE-RCCFBDPRSA-N 0 3 481.066 2.941 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)c2ccc(C)s2)C[C@H]1C ZINC001295990174 1064045354 /nfs/dbraw/zinc/04/53/54/1064045354.db2.gz FGZJOXPOJXMEQL-IAGOWNOFSA-N 0 3 489.671 2.607 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCOC(C)(C)C)C[C@@H]1C ZINC001295991805 1064046853 /nfs/dbraw/zinc/04/68/53/1064046853.db2.gz BOPKQXZKUCDDQL-ZWKOTPCHSA-N 0 3 467.618 2.926 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C[C@@H]1C ZINC001295993420 1064048723 /nfs/dbraw/zinc/04/87/23/1064048723.db2.gz SBEYGPXWTRTNJP-BBTUJRGHSA-N 0 3 465.577 2.742 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C[C@H]1C ZINC001295993421 1064048833 /nfs/dbraw/zinc/04/88/33/1064048833.db2.gz SBEYGPXWTRTNJP-LQWHRVPQSA-N 0 3 465.577 2.742 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccccc2OCCOC)C[C@H]1C ZINC001295994070 1064049731 /nfs/dbraw/zinc/04/97/31/1064049731.db2.gz IULLLQRCFDVLGN-MOPGFXCFSA-N 0 3 451.575 2.728 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccnc3)n2Cc2ccc(OCCO)c(OC)c2)C[C@H]1C ZINC001295994236 1064050201 /nfs/dbraw/zinc/05/02/01/1064050201.db2.gz VBZIJTBJWBFACV-RTBURBONSA-N 0 3 466.586 2.687 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2CCNS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC001295994447 1064050222 /nfs/dbraw/zinc/05/02/22/1064050222.db2.gz GOVPGYPKQJILGR-RBUKOAKNSA-N 0 3 462.664 2.764 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCOC3)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@H]1C ZINC001295996486 1064052662 /nfs/dbraw/zinc/05/26/62/1064052662.db2.gz LIUBDGWNSNAECO-AOIWGVFYSA-N 0 3 459.591 2.775 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@@H]1C ZINC001295996487 1064052806 /nfs/dbraw/zinc/05/28/06/1064052806.db2.gz LIUBDGWNSNAECO-JENIJYKNSA-N 0 3 459.591 2.775 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)COc2ccccc2OC)C[C@H]1C ZINC001295997828 1064054208 /nfs/dbraw/zinc/05/42/08/1064054208.db2.gz SJBGHBZIFWDMKT-ZRNYENFQSA-N 0 3 470.618 2.872 20 0 JFADHN CCN(CCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)S(C)(=O)=O ZINC001296000358 1064056954 /nfs/dbraw/zinc/05/69/54/1064056954.db2.gz CJKQGEBRDYVRMH-RTBURBONSA-N 0 3 480.654 2.599 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CCCNC(=O)c2cccc(O)c2)C[C@@H]1C ZINC001296000802 1064057174 /nfs/dbraw/zinc/05/71/74/1064057174.db2.gz FAHNZOCKDNNYPI-PMACEKPBSA-N 0 3 477.613 2.709 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CC2(C(=O)N(C)C)CCCC2)C[C@H]1C ZINC001296001198 1064057572 /nfs/dbraw/zinc/05/75/72/1064057572.db2.gz GIDYNTAKJWDSMI-UXHICEINSA-N 0 3 453.635 2.831 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C[C@H]1C ZINC001296002733 1064058043 /nfs/dbraw/zinc/05/80/43/1064058043.db2.gz NSDYXNNRXZPDMM-DYXWJJEUSA-N 0 3 495.594 2.836 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC(N3CCCC3=O)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001291508432 1064059945 /nfs/dbraw/zinc/05/99/45/1064059945.db2.gz MCNBHQLMOUNRRH-SFTDATJTSA-N 0 3 459.683 2.656 20 0 JFADHN CC[C@@H](C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1Cc1cccc(C(=O)NC)c1 ZINC001291509493 1064060628 /nfs/dbraw/zinc/06/06/28/1064060628.db2.gz FCMHBFNAGPPPSP-OFNKIYASSA-N 0 3 467.662 2.804 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CCN2CCOC[C@H]2C)C[C@@H]1C ZINC001296007647 1064061212 /nfs/dbraw/zinc/06/12/12/1064061212.db2.gz FMBJPCRNCGONAB-FDFHNCONSA-N 0 3 456.635 2.539 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CCN2CCOC[C@@H]2C)C[C@H]1C ZINC001296007649 1064061428 /nfs/dbraw/zinc/06/14/28/1064061428.db2.gz FMBJPCRNCGONAB-FSSWDIPSSA-N 0 3 456.635 2.539 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)c(OC)c2)C[C@H]1C ZINC001296009428 1064064299 /nfs/dbraw/zinc/06/42/99/1064064299.db2.gz GEUHWJUYQVNXDX-MOPGFXCFSA-N 0 3 470.618 2.579 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCCC2)C[C@H]1C ZINC001296009801 1064066247 /nfs/dbraw/zinc/06/62/47/1064066247.db2.gz IGSKEPOUGHRQFL-MSOLQXFVSA-N 0 3 458.582 2.961 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCOC[C@H]2C)C[C@H]1C ZINC001296009756 1064066530 /nfs/dbraw/zinc/06/65/30/1064066530.db2.gz MXAZYXZPKWPDPF-BHIFYINESA-N 0 3 470.662 2.712 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2nnc(C)s2)C[C@H]1C ZINC001296009811 1064066892 /nfs/dbraw/zinc/06/68/92/1064066892.db2.gz IHENTXCBQOWWQC-HUUCEWRRSA-N 0 3 474.660 2.591 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001296010016 1064067296 /nfs/dbraw/zinc/06/72/96/1064067296.db2.gz JQVQLAADWZVIHE-WOJBJXKFSA-N 0 3 474.654 2.973 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@@H](C)N2CCOCC2)C[C@H]1C ZINC001296010713 1064069301 /nfs/dbraw/zinc/06/93/01/1064069301.db2.gz CTHCQUOVWYGQQT-NJYVYQBISA-N 0 3 472.634 2.505 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001296010876 1064070040 /nfs/dbraw/zinc/07/00/40/1064070040.db2.gz MZXMNDBUIYLGBC-PMACEKPBSA-N 0 3 496.660 2.898 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001296010865 1064070100 /nfs/dbraw/zinc/07/01/00/1064070100.db2.gz MYOKQDXRPVEYKO-OALUTQOASA-N 0 3 499.626 2.984 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@H]1C ZINC001296010879 1064070245 /nfs/dbraw/zinc/07/02/45/1064070245.db2.gz MZXMNDBUIYLGBC-WOJBJXKFSA-N 0 3 496.660 2.898 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2cccnc2)C[C@@H]1C ZINC001296011435 1064071667 /nfs/dbraw/zinc/07/16/67/1064071667.db2.gz OYDDXNGXFQBKCK-ZWKOTPCHSA-N 0 3 453.616 2.826 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)NC2CCCCC2)C[C@H]1C ZINC001296013613 1064074417 /nfs/dbraw/zinc/07/44/17/1064074417.db2.gz OIAVSHUQTYOLNI-NVJIOZQYSA-N 0 3 476.666 2.760 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001296015258 1064077275 /nfs/dbraw/zinc/07/72/75/1064077275.db2.gz RKFIVACYSARHNS-UFYCRDLUSA-N 0 3 492.665 2.811 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCSC2)C[C@H]1C ZINC001296015317 1064077529 /nfs/dbraw/zinc/07/75/29/1064077529.db2.gz RVEKQQCDVVHUMX-IEGUWTFLSA-N 0 3 461.632 2.653 20 0 JFADHN CCN(CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)S(C)(=O)=O ZINC001296015309 1064077768 /nfs/dbraw/zinc/07/77/68/1064077768.db2.gz RUMUVZAVVYUVCX-PLACYPQZSA-N 0 3 498.738 2.787 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)c2ccn[nH]2)C[C@H]1C ZINC001296017272 1064078661 /nfs/dbraw/zinc/07/86/61/1064078661.db2.gz XKYXMVAENAHETL-RTBURBONSA-N 0 3 482.658 2.951 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)c2ccn[nH]2)C[C@@H]1C ZINC001296017271 1064078806 /nfs/dbraw/zinc/07/88/06/1064078806.db2.gz XKYXMVAENAHETL-RBUKOAKNSA-N 0 3 482.658 2.951 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001291560267 1064092390 /nfs/dbraw/zinc/09/23/90/1064092390.db2.gz QVNORTLBRZZSIJ-FCHUYYIVSA-N 0 3 461.699 2.760 20 0 JFADHN CCN1CC[C@@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001296035847 1064094861 /nfs/dbraw/zinc/09/48/61/1064094861.db2.gz GFKHHQRJIWZEPZ-AEFFLSMTSA-N 0 3 496.475 2.981 20 0 JFADHN CCN1CC[C@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001296039741 1064099872 /nfs/dbraw/zinc/09/98/72/1064099872.db2.gz SUEVIDSRUWPKNZ-AZUAARDMSA-N 0 3 491.658 2.706 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1ccccc1OC ZINC001291582765 1064114475 /nfs/dbraw/zinc/11/44/75/1064114475.db2.gz LRENVXQBXYZWIV-FQEVSTJZSA-N 0 3 454.619 2.787 20 0 JFADHN CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001296054786 1064115817 /nfs/dbraw/zinc/11/58/17/1064115817.db2.gz CNSCTYJRQJERGM-MRXNPFEDSA-N 0 3 491.522 2.798 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[C@H](OC)C(F)(F)F ZINC001291583072 1064115796 /nfs/dbraw/zinc/11/57/96/1064115796.db2.gz PKLWOYMBGLASDM-SJORKVTESA-N 0 3 460.545 2.503 20 0 JFADHN CCN1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001296054785 1064115842 /nfs/dbraw/zinc/11/58/42/1064115842.db2.gz CNSCTYJRQJERGM-INIZCTEOSA-N 0 3 491.522 2.798 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1cn2ccc(C)cc2n1 ZINC001291583775 1064117131 /nfs/dbraw/zinc/11/71/31/1064117131.db2.gz WWSOWORQYKJPPZ-HXUWFJFHSA-N 0 3 466.634 2.786 20 0 JFADHN CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001296056315 1064117566 /nfs/dbraw/zinc/11/75/66/1064117566.db2.gz KJNYNQLPHLAOPK-YADHBBJMSA-N 0 3 472.609 2.990 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001291590088 1064123022 /nfs/dbraw/zinc/12/30/22/1064123022.db2.gz OHLYDIYLYICSCU-NRFANRHFSA-N 0 3 474.698 2.546 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001296074543 1064140488 /nfs/dbraw/zinc/14/04/88/1064140488.db2.gz LIQYYLJOEUSKCV-OGPYBGEISA-N 0 3 472.659 2.762 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC001296074618 1064140837 /nfs/dbraw/zinc/14/08/37/1064140837.db2.gz LSQPWSFUWTXTGX-IRLDBZIGSA-N 0 3 483.661 2.947 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](COc2ccccc2)C1 ZINC001296079408 1064146479 /nfs/dbraw/zinc/14/64/79/1064146479.db2.gz FXFREUPRBWPKSY-IRLDBZIGSA-N 0 3 470.618 2.575 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001291618654 1064156093 /nfs/dbraw/zinc/15/60/93/1064156093.db2.gz HSJQNZMSBZPFJX-MJGOQNOKSA-N 0 3 482.658 2.977 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001291618653 1064156099 /nfs/dbraw/zinc/15/60/99/1064156099.db2.gz HSJQNZMSBZPFJX-IEBWSBKVSA-N 0 3 482.658 2.977 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001291618655 1064156107 /nfs/dbraw/zinc/15/61/07/1064156107.db2.gz HSJQNZMSBZPFJX-PKOBYXMFSA-N 0 3 482.658 2.977 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1Cc1ccc(NC(C)=O)nc1 ZINC001291622321 1064162952 /nfs/dbraw/zinc/16/29/52/1064162952.db2.gz VKKRWRFPFRJACY-MSOLQXFVSA-N 0 3 455.607 2.883 20 0 JFADHN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC001291635621 1064184171 /nfs/dbraw/zinc/18/41/71/1064184171.db2.gz USCFNNJXUDBQKE-GOEBONIOSA-N 0 3 452.495 2.946 20 0 JFADHN CCN1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1=O ZINC001296108948 1064187939 /nfs/dbraw/zinc/18/79/39/1064187939.db2.gz VKHWXUDHJFSLOW-QFIPXVFZSA-N 0 3 463.586 2.710 20 0 JFADHN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001296114529 1064195408 /nfs/dbraw/zinc/19/54/08/1064195408.db2.gz YQSFJCHPHKPDIE-ISKFKSNPSA-N 0 3 453.558 2.624 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296120078 1064207894 /nfs/dbraw/zinc/20/78/94/1064207894.db2.gz DJRZTKJWUAXVKU-IEBWSBKVSA-N 0 3 464.561 2.798 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296120564 1064210587 /nfs/dbraw/zinc/21/05/87/1064210587.db2.gz JOQDHXTWRXCZNC-SJLPKXTDSA-N 0 3 480.455 2.677 20 0 JFADHN CC[C@H](C)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001291672383 1064214165 /nfs/dbraw/zinc/21/41/65/1064214165.db2.gz QVHVLUKGDZZUBV-CVDCTZTESA-N 0 3 468.646 2.970 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296122567 1064215020 /nfs/dbraw/zinc/21/50/20/1064215020.db2.gz XTMPBYDRNBDXNL-YOSAUDMPSA-N 0 3 486.661 2.850 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N(C)CC(F)(F)F)CC1 ZINC001296124394 1064217148 /nfs/dbraw/zinc/21/71/48/1064217148.db2.gz HBQMDHJZKXTPSW-MRXNPFEDSA-N 0 3 470.540 2.987 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001296124847 1064217795 /nfs/dbraw/zinc/21/77/95/1064217795.db2.gz JWZSWEDJZCBPBG-SFHVURJKSA-N 0 3 474.053 2.587 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC001296125158 1064217821 /nfs/dbraw/zinc/21/78/21/1064217821.db2.gz LCQJTNDUBREEPV-HXUWFJFHSA-N 0 3 487.649 2.787 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3C)nnc2N2C[C@@H](C)O[C@H](COC)C2)CC1 ZINC001296124880 1064217883 /nfs/dbraw/zinc/21/78/83/1064217883.db2.gz KFENFFLPIPZVHN-VSKRKVRLSA-N 0 3 456.635 2.520 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3OC)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001296127251 1064221654 /nfs/dbraw/zinc/22/16/54/1064221654.db2.gz UJBIDJHUSOAUMY-RDABAPPSSA-N 0 3 497.688 2.863 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296128042 1064222030 /nfs/dbraw/zinc/22/20/30/1064222030.db2.gz XJDOERKBFNNASU-LEWJYISDSA-N 0 3 498.676 2.812 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001296128324 1064222325 /nfs/dbraw/zinc/22/23/25/1064222325.db2.gz YBPCJWQIYHOAEH-DLBZAZTESA-N 0 3 494.471 2.945 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001296128054 1064222408 /nfs/dbraw/zinc/22/24/08/1064222408.db2.gz XLQUUMHXIKKNIL-JOCHJYFZSA-N 0 3 481.689 2.974 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001296128328 1064222476 /nfs/dbraw/zinc/22/24/76/1064222476.db2.gz YBPCJWQIYHOAEH-SJORKVTESA-N 0 3 494.471 2.945 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)CCOc2ccc(C)cc2)CC1 ZINC001296129610 1064222892 /nfs/dbraw/zinc/22/28/92/1064222892.db2.gz AYJPWFCPULZGOJ-YADHBBJMSA-N 0 3 456.635 2.632 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296129855 1064223335 /nfs/dbraw/zinc/22/33/35/1064223335.db2.gz BZNVUJPIVSYGSX-RBBKRZOGSA-N 0 3 456.635 2.843 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CCc2ccccc2OC)CC1 ZINC001296129850 1064223357 /nfs/dbraw/zinc/22/33/57/1064223357.db2.gz BWUFLCTXADHCBB-HXUWFJFHSA-N 0 3 451.619 2.987 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(C)CC(F)(F)F)CC1 ZINC001296131382 1064226071 /nfs/dbraw/zinc/22/60/71/1064226071.db2.gz JNVZEMJOGJMWHM-OAHLLOKOSA-N 0 3 478.523 2.618 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3nc(C)cc(C)n3)CC2)CC1 ZINC001296131632 1064226388 /nfs/dbraw/zinc/22/63/88/1064226388.db2.gz MKJMAQXOJYTRED-QFIPXVFZSA-N 0 3 483.709 2.626 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001296131915 1064227559 /nfs/dbraw/zinc/22/75/59/1064227559.db2.gz NAZGQJGAFHXTEQ-HSALFYBXSA-N 0 3 488.599 2.746 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CC(C)(OC)C2)CC1 ZINC001296132601 1064230618 /nfs/dbraw/zinc/23/06/18/1064230618.db2.gz BWSQXTGYERDSDG-NRFANRHFSA-N 0 3 456.635 2.725 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001296132629 1064231061 /nfs/dbraw/zinc/23/10/61/1064231061.db2.gz CGIPUOCPSBWRDX-DHIUTWEWSA-N 0 3 497.688 2.557 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Nc3cnn(C)c3)nnc2-c2cc(Br)c[nH]2)CC1 ZINC001296132803 1064231669 /nfs/dbraw/zinc/23/16/69/1064231669.db2.gz CYZYWXKEYBFIJX-CQSZACIVSA-N 0 3 462.400 2.539 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(C3CCC3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001296133360 1064233606 /nfs/dbraw/zinc/23/36/06/1064233606.db2.gz TVOKQEGBWGJKPR-VQTJNVASSA-N 0 3 475.682 2.923 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(C3CCC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001296134257 1064235329 /nfs/dbraw/zinc/23/53/29/1064235329.db2.gz XMYLWBHHCBIKOJ-QGZVFWFLSA-N 0 3 475.579 2.594 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296134341 1064235348 /nfs/dbraw/zinc/23/53/48/1064235348.db2.gz NMXQVLXPCSDZGP-IMSXRSKXSA-N 0 3 486.661 2.753 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CCCc2ccccn2)CC1 ZINC001296134300 1064235366 /nfs/dbraw/zinc/23/53/66/1064235366.db2.gz XYUCCZYGMOHPHP-FGZHOGPDSA-N 0 3 455.651 2.662 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001296134380 1064235735 /nfs/dbraw/zinc/23/57/35/1064235735.db2.gz OJZLZSOAXGWMAM-RTBURBONSA-N 0 3 491.731 2.627 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296134344 1064235896 /nfs/dbraw/zinc/23/58/96/1064235896.db2.gz NMXQVLXPCSDZGP-YZUZCNPQSA-N 0 3 486.661 2.753 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001296134784 1064237184 /nfs/dbraw/zinc/23/71/84/1064237184.db2.gz QIUPWIZVEXXFRY-VXKWHMMOSA-N 0 3 456.635 2.807 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(N3CC[C@H](C)[C@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296134999 1064238007 /nfs/dbraw/zinc/23/80/07/1064238007.db2.gz UMOKBNASRWIWMT-IYXIZZNPSA-N 0 3 462.683 2.827 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(N3CC[C@H](C)[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296134998 1064238031 /nfs/dbraw/zinc/23/80/31/1064238031.db2.gz UMOKBNASRWIWMT-FUCAVZNHSA-N 0 3 462.683 2.827 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296135444 1064239140 /nfs/dbraw/zinc/23/91/40/1064239140.db2.gz YKDBSHGABLJDIO-PZJWPPBQSA-N 0 3 496.578 2.959 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001296136794 1064242819 /nfs/dbraw/zinc/24/28/19/1064242819.db2.gz LJPJMHLTRIGDJR-BHIFYINESA-N 0 3 489.709 2.534 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)CCOc2cccc(C)c2)CC1 ZINC001296137561 1064243864 /nfs/dbraw/zinc/24/38/64/1064243864.db2.gz QCUZCQZXUWZZSB-FYYLOGMGSA-N 0 3 456.635 2.979 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC001296137832 1064244431 /nfs/dbraw/zinc/24/44/31/1064244431.db2.gz QYCVLUXVLTZOMO-SFGWALBWSA-N 0 3 488.599 2.685 20 0 JFADHN CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cnccc2OC)C[C@@H]1C ZINC001296142002 1064248194 /nfs/dbraw/zinc/24/81/94/1064248194.db2.gz HKDUTUYRQQZULP-KRWDZBQOSA-N 0 3 482.585 2.953 20 0 JFADHN CC[C@@H](C)N(C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001291778325 1064266307 /nfs/dbraw/zinc/26/63/07/1064266307.db2.gz HZQSFSPYGUZMBP-XLIONFOSSA-N 0 3 451.612 2.752 20 0 JFADHN CCN1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296162835 1064276760 /nfs/dbraw/zinc/27/67/60/1064276760.db2.gz PYOALTVJKCWYSO-HKBOAZHASA-N 0 3 455.651 2.682 20 0 JFADHN CCN1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296162837 1064277011 /nfs/dbraw/zinc/27/70/11/1064277011.db2.gz PYOALTVJKCWYSO-PCCBWWKXSA-N 0 3 455.651 2.682 20 0 JFADHN CC[C@@H](C)N(C)CCn1c(CSc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 ZINC001291787073 1064284267 /nfs/dbraw/zinc/28/42/67/1064284267.db2.gz XXBPPABZBYQQGR-QGZVFWFLSA-N 0 3 467.661 2.544 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3Cc3cccc(C(=O)N(C)C)c3)C2)CC1 ZINC001296173706 1064297856 /nfs/dbraw/zinc/29/78/56/1064297856.db2.gz KKDSSBQWUMCXSV-JOCHJYFZSA-N 0 3 467.662 2.542 20 0 JFADHN CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCn2ccnc2C)C[C@@H]1C ZINC001296174119 1064300144 /nfs/dbraw/zinc/30/01/44/1064300144.db2.gz NUNUCBDKNSOSCN-YSIASYRMSA-N 0 3 472.638 2.784 20 0 JFADHN CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001296175002 1064303600 /nfs/dbraw/zinc/30/36/00/1064303600.db2.gz URYXLUKGKVGWDR-YADHBBJMSA-N 0 3 486.661 2.753 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCNC(=O)C(C)C)C2)CC1 ZINC001296180517 1064311330 /nfs/dbraw/zinc/31/13/30/1064311330.db2.gz NTOXZBIVFDUXAR-IBGZPJMESA-N 0 3 492.043 2.726 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccccc4Br)n3C[C@@H](C)OC)C2)CC1 ZINC001296180558 1064311895 /nfs/dbraw/zinc/31/18/95/1064311895.db2.gz NSFGDWJRUXLOFP-MSOLQXFVSA-N 0 3 477.451 2.959 20 0 JFADHN CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001291804567 1064322240 /nfs/dbraw/zinc/32/22/40/1064322240.db2.gz RGJGWSJRYIMFET-GOSISDBHSA-N 0 3 458.607 2.700 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(Cn4nc(C)cc4C)n3CCSC(F)(F)F)C2)CC1 ZINC001296183059 1064326734 /nfs/dbraw/zinc/32/67/34/1064326734.db2.gz YQBCWLZBIXKHCM-SFHVURJKSA-N 0 3 486.612 2.609 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(OC)c(OC)c3)C2)CC1 ZINC001296183020 1064326836 /nfs/dbraw/zinc/32/68/36/1064326836.db2.gz YDWFZSWMPAITMC-NRFANRHFSA-N 0 3 456.635 2.758 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(Cc4ccccc4OC)n3CC(C)(C)OC)C2)CC1 ZINC001296183160 1064326861 /nfs/dbraw/zinc/32/68/61/1064326861.db2.gz YWFIPYUAPBALHC-NRFANRHFSA-N 0 3 456.635 2.519 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@H]2CCCCO2)CC1 ZINC001296190029 1064336823 /nfs/dbraw/zinc/33/68/23/1064336823.db2.gz AZXBNHKRGSTMNH-FYYLOGMGSA-N 0 3 455.651 2.543 20 0 JFADHN CC[C@H](C)NC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001291812910 1064340307 /nfs/dbraw/zinc/34/03/07/1064340307.db2.gz RRUSTPBFUHQEBQ-FQEVSTJZSA-N 0 3 484.645 2.807 20 0 JFADHN CC[C@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001291812979 1064340914 /nfs/dbraw/zinc/34/09/14/1064340914.db2.gz SJQFQXKDBYXAMD-ZFGGDYGUSA-N 0 3 495.672 2.629 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296191511 1064341252 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CCN1CCN(CCCn2c([C@H]3CCCO3)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC001296216071 1064422341 /nfs/dbraw/zinc/42/23/41/1064422341.db2.gz ZPSGZSXGDXBRGB-OAQYLSRUSA-N 0 3 491.587 2.510 20 0 JFADHN CCn1nc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCOCC(F)F)c2ccccc2c1=O ZINC001296219338 1064433225 /nfs/dbraw/zinc/43/32/25/1064433225.db2.gz KCEVJWIILYWNKS-UHFFFAOYSA-N 0 3 489.571 2.877 20 0 JFADHN CCNC(=O)C(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001296233117 1064474366 /nfs/dbraw/zinc/47/43/66/1064474366.db2.gz MEHCUYNMFXSPEA-UHFFFAOYSA-N 0 3 468.646 2.964 20 0 JFADHN CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291880608 1064502302 /nfs/dbraw/zinc/50/23/02/1064502302.db2.gz HINQEFPWPHXQOE-DEOSSOPVSA-N 0 3 481.689 2.905 20 0 JFADHN CC[C@@H](c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291881932 1064504421 /nfs/dbraw/zinc/50/44/21/1064504421.db2.gz ZGYAAYZTYBXINY-JTHBVZDNSA-N 0 3 481.689 2.938 20 0 JFADHN 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CCC(CC)NC(=O)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001292090534 1064776115 /nfs/dbraw/zinc/77/61/15/1064776115.db2.gz PXGDOFGGYRYBSS-SFTDATJTSA-N 0 3 487.693 2.908 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1C[C@]1(N(C)C)CCSC1 ZINC001292102463 1064793264 /nfs/dbraw/zinc/79/32/64/1064793264.db2.gz RQAKQQNYBZWSGG-DNVFCKCGSA-N 0 3 464.680 2.782 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CSCCS1 ZINC001292114129 1064825809 /nfs/dbraw/zinc/82/58/09/1064825809.db2.gz SQAMUPAUDPOQGC-QGZVFWFLSA-N 0 3 454.710 2.966 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1CCNC(=O)C(C)C ZINC001292123972 1064863377 /nfs/dbraw/zinc/86/33/77/1064863377.db2.gz BNUZKRNZRJMPJS-UHFFFAOYSA-N 0 3 475.682 2.669 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H]1CSCCS1 ZINC001292125468 1064869747 /nfs/dbraw/zinc/86/97/47/1064869747.db2.gz UJTMCSLAZOSLIW-GOSISDBHSA-N 0 3 454.710 2.823 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1cc(C(C)(C)C)no1 ZINC001292126565 1064876336 /nfs/dbraw/zinc/87/63/36/1064876336.db2.gz LQLSNHVNAAGIDO-SFHVURJKSA-N 0 3 487.649 2.689 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCSC(F)(F)F ZINC001292126657 1064877002 /nfs/dbraw/zinc/87/70/02/1064877002.db2.gz NFEKTJILAAYCIS-HNNXBMFYSA-N 0 3 478.585 2.608 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CCN1CCC[C@@H]1C ZINC001292126763 1064877521 /nfs/dbraw/zinc/87/75/21/1064877521.db2.gz TYRXZCCHJPDANJ-IBGZPJMESA-N 0 3 473.666 2.662 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1CCN1CCCC(C)(C)C1 ZINC001292127290 1064881595 /nfs/dbraw/zinc/88/15/95/1064881595.db2.gz ZKYKZDRBWNZWQS-QFIPXVFZSA-N 0 3 489.709 2.620 20 0 JFADHN CCN(CC)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)c1ccc(C(F)(F)F)cc1 ZINC001292141553 1064909478 /nfs/dbraw/zinc/90/94/78/1064909478.db2.gz LLTBRCGVCGYHGZ-VQIMIIECSA-N 0 3 451.493 2.991 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cnn(CC)c3)C2)n1CCN1CCC(C)CC1 ZINC001292145749 1064921425 /nfs/dbraw/zinc/92/14/25/1064921425.db2.gz WOWDXBREILKIDX-QFIPXVFZSA-N 0 3 486.665 2.723 20 0 JFADHN CC[C@H](Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N(C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC001292173180 1064961132 /nfs/dbraw/zinc/96/11/32/1064961132.db2.gz PCUWVSVHTYFPIP-ZRCGQRJVSA-N 0 3 484.645 2.506 20 0 JFADHN CC[C@H](Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001292179403 1064970069 /nfs/dbraw/zinc/97/00/69/1064970069.db2.gz JQXGAKYWMIBBOS-HXUWFJFHSA-N 0 3 489.617 2.697 20 0 JFADHN CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)NC(C)(C)C)N1CCCC1 ZINC001292183241 1064973744 /nfs/dbraw/zinc/97/37/44/1064973744.db2.gz BXSCTFMCEQXBTG-LJQANCHMSA-N 0 3 490.674 2.574 20 0 JFADHN CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CS(C)(=O)=O)N1CCCC1 ZINC001292187844 1064980516 /nfs/dbraw/zinc/98/05/16/1064980516.db2.gz ZPGBMOKHTIQSIK-WBVHZDCISA-N 0 3 455.028 2.737 20 0 JFADHN CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CS(C)(=O)=O)N1CCCC1 ZINC001292187842 1064980678 /nfs/dbraw/zinc/98/06/78/1064980678.db2.gz ZPGBMOKHTIQSIK-NVXWUHKLSA-N 0 3 455.028 2.737 20 0 JFADHN CC[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)OC ZINC001292212784 1065003153 /nfs/dbraw/zinc/00/31/53/1065003153.db2.gz WLZTXKYQQLQKGQ-FGTMMUONSA-N 0 3 453.591 2.536 20 0 JFADHN CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)NC(=O)OC(C)(C)C ZINC001292218835 1065005203 /nfs/dbraw/zinc/00/52/03/1065005203.db2.gz JNFWYDZNTJWHAN-HBMCJLEFSA-N 0 3 492.665 2.982 20 0 JFADHN CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1)c1ccccc1 ZINC001292226983 1065014665 /nfs/dbraw/zinc/01/46/65/1065014665.db2.gz VAJQJHSNYDJFCI-GGAORHGYSA-N 0 3 468.646 2.966 20 0 JFADHN CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CCCC(=O)NC)N1CCc2ccccc2C1 ZINC001292226996 1065014732 /nfs/dbraw/zinc/01/47/32/1065014732.db2.gz VCCGNSWGDXNQAU-YADHBBJMSA-N 0 3 454.619 2.581 20 0 JFADHN CC[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC2CCOCC2)CC1)OC ZINC001292256553 1065038815 /nfs/dbraw/zinc/03/88/15/1065038815.db2.gz TXMNNIJBNMMHQF-NRFANRHFSA-N 0 3 461.582 2.970 20 0 JFADHN O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001292278185 1065054392 /nfs/dbraw/zinc/05/43/92/1065054392.db2.gz MPSNEWPATCVCOJ-NRFANRHFSA-N 0 3 456.344 2.664 20 0 JFADHN CC[C@@]1(C)CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)C2CCN(CCn3cccn3)CC2)O1 ZINC001292295028 1065066882 /nfs/dbraw/zinc/06/68/82/1065066882.db2.gz FEIFTNZLFFTGGO-BWKNWUBXSA-N 0 3 486.665 2.561 20 0 JFADHN CC[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001292334018 1065089931 /nfs/dbraw/zinc/08/99/31/1065089931.db2.gz ZAOCSBIVUTXRAH-PQNGQFLHSA-N 0 3 490.674 2.540 20 0 JFADHN CC[C@]1(C)CCN(c2nnc(Cc3ccncc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001292339564 1065090782 /nfs/dbraw/zinc/09/07/82/1065090782.db2.gz MLZFEPOYTXZVAT-PXDATVDWSA-N 0 3 453.635 2.833 20 0 JFADHN CN(C)CCSc1nc(CC(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)cs1 ZINC001292350598 1065095699 /nfs/dbraw/zinc/09/56/99/1065095699.db2.gz CFWUOYDNHMOEDP-LJQANCHMSA-N 0 3 452.621 2.668 20 0 JFADHN CCC1(CC)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCN2CCCO)CCS1 ZINC001292394818 1065134642 /nfs/dbraw/zinc/13/46/42/1065134642.db2.gz WYHCWWKGYQOFBS-IBGZPJMESA-N 0 3 487.674 2.884 20 0 JFADHN CCC1(CC)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCN2CCCO)CCS1 ZINC001292394819 1065134682 /nfs/dbraw/zinc/13/46/82/1065134682.db2.gz WYHCWWKGYQOFBS-LJQANCHMSA-N 0 3 487.674 2.884 20 0 JFADHN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C ZINC001292440581 1065167389 /nfs/dbraw/zinc/16/73/89/1065167389.db2.gz ZBKLWJKHLDMOOM-UHFFFAOYSA-N 0 3 456.609 2.822 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](COC(C)C)C2)N(C)C)cc1 ZINC001292457270 1065179089 /nfs/dbraw/zinc/17/90/89/1065179089.db2.gz JMECXRLVEIAUOW-ZLNRFVROSA-N 0 3 484.645 2.725 20 0 JFADHN CCc1ccc([C@H](Cn2c(Cc3ccncc3)nnc2N2CC[C@@](C)(C(N)=O)C2)N(C)C)cc1 ZINC001292458648 1065182341 /nfs/dbraw/zinc/18/23/41/1065182341.db2.gz AGQAGZAXRICUQE-BKMJKUGQSA-N 0 3 461.614 2.831 20 0 JFADHN CCc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H](C(CC)CC)N2CCOCC2)cc1 ZINC001292488605 1065210200 /nfs/dbraw/zinc/21/02/00/1065210200.db2.gz OVBWQRLOJPXAQI-GOTSBHOMSA-N 0 3 468.646 2.956 20 0 JFADHN CCc1ccc(-c2nnc(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)n2C[C@@H](COC)OC)cc1 ZINC001292497266 1065216404 /nfs/dbraw/zinc/21/64/04/1065216404.db2.gz DNSKLASUSRQTEF-RPWUZVMVSA-N 0 3 470.662 2.774 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C(=O)CN(CC)CC)CC3)n2Cc2cnn(C)c2C)cc1 ZINC001292513434 1065233156 /nfs/dbraw/zinc/23/31/56/1065233156.db2.gz FPRIZWSNEDKURQ-UHFFFAOYSA-N 0 3 478.645 2.588 20 0 JFADHN CCc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)(C)C)CC2)cc1 ZINC001292540520 1065262969 /nfs/dbraw/zinc/26/29/69/1065262969.db2.gz GBQONNUUPDRZCW-SFHVURJKSA-N 0 3 462.664 2.614 20 0 JFADHN CCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCOCC3)C[C@@H]2C)s1 ZINC001292548191 1065268409 /nfs/dbraw/zinc/26/84/09/1065268409.db2.gz PWLSXXYZOICQAG-KRWDZBQOSA-N 0 3 460.648 2.778 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCC(=O)NC(C)(C)C ZINC001292614689 1065345371 /nfs/dbraw/zinc/34/53/71/1065345371.db2.gz ILVXTZCAGXOXEI-OAQYLSRUSA-N 0 3 498.672 2.883 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H]1CCCN(C(C)C)C1 ZINC001292620238 1065357289 /nfs/dbraw/zinc/35/72/89/1065357289.db2.gz ZYBGWZWKERMSPS-HXUWFJFHSA-N 0 3 475.659 2.775 20 0 JFADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2 ZINC001292635971 1065373995 /nfs/dbraw/zinc/37/39/95/1065373995.db2.gz PLDZKZYYQYXOTG-INIZCTEOSA-N 0 3 458.584 2.755 20 0 JFADHN O=C(CC1(N2CCOCC2)CCCC1)NCCCNC(=O)c1ccc(Br)cc1 ZINC001292694079 1065441453 /nfs/dbraw/zinc/44/14/53/1065441453.db2.gz KBWQRVLIULQSQO-UHFFFAOYSA-N 0 3 452.393 2.720 20 0 JFADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 ZINC001292811684 1065563200 /nfs/dbraw/zinc/56/32/00/1065563200.db2.gz KQULIYIICMSNJT-JOCHJYFZSA-N 0 3 450.986 2.773 20 0 JFADHN CCc1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CCCN1CCN(CC)CC1 ZINC001292813583 1065563705 /nfs/dbraw/zinc/56/37/05/1065563705.db2.gz LSZVUXZIGYVRTH-UHFFFAOYSA-N 0 3 467.662 2.609 20 0 JFADHN CCc1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001292813832 1065564786 /nfs/dbraw/zinc/56/47/86/1065564786.db2.gz RHJBDICJPFPAFO-UHFFFAOYSA-N 0 3 467.662 2.608 20 0 JFADHN CCc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CC[C@](C)(O)c1ccccc1 ZINC001292818279 1065566780 /nfs/dbraw/zinc/56/67/80/1065566780.db2.gz XQJZKEKFPMFKSK-VWLOTQADSA-N 0 3 451.619 2.936 20 0 JFADHN CCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCOc1ccccc1C ZINC001292892388 1065589635 /nfs/dbraw/zinc/58/96/35/1065589635.db2.gz CTKSBHYUTTZFJP-IFMALSPDSA-N 0 3 454.619 2.607 20 0 JFADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1C[C@@H](SC)C(C)(C)C ZINC001292892893 1065591880 /nfs/dbraw/zinc/59/18/80/1065591880.db2.gz IRDKDPFEJXNHBG-DFQSSKMNSA-N 0 3 450.697 2.997 20 0 JFADHN CCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(C)cc1OC ZINC001292893119 1065591916 /nfs/dbraw/zinc/59/19/16/1065591916.db2.gz LFWNMNDSNAAIBB-DENIHFKCSA-N 0 3 454.619 2.585 20 0 JFADHN CCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001292894282 1065595408 /nfs/dbraw/zinc/59/54/08/1065595408.db2.gz WKOSWDMQBIPXEG-DYESRHJHSA-N 0 3 493.578 2.876 20 0 JFADHN CC(C)CN(C(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)C1CCN(C)CC1 ZINC001292965238 1065645881 /nfs/dbraw/zinc/64/58/81/1065645881.db2.gz AMBGSACBAQKESH-UHFFFAOYSA-N 0 3 458.607 2.989 20 0 JFADHN CCc1nnc(N2CCC(N(C)S(=O)(=O)CC)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001292969963 1065649510 /nfs/dbraw/zinc/64/95/10/1065649510.db2.gz DDPQWAMEKZXKRW-HXUWFJFHSA-N 0 3 466.627 2.533 20 0 JFADHN CCc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@@H](C)Oc1ccccc1OC ZINC001292979174 1065660528 /nfs/dbraw/zinc/66/05/28/1065660528.db2.gz MWPSWOOMOBKMDO-NHCUHLMSSA-N 0 3 456.635 2.921 20 0 JFADHN COC(=O)C1CCN(CCCNC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1 ZINC001292988123 1065675631 /nfs/dbraw/zinc/67/56/31/1065675631.db2.gz YOZVKNDECJNZJI-HXUWFJFHSA-N 0 3 451.995 2.876 20 0 JFADHN CCc1nnc(N2CCC[C@@H](Nc3ccccc3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001293044509 1065709250 /nfs/dbraw/zinc/70/92/50/1065709250.db2.gz KWPKSZNKTJZGGE-YADHBBJMSA-N 0 3 453.635 2.864 20 0 JFADHN CCc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001293082153 1065731925 /nfs/dbraw/zinc/73/19/25/1065731925.db2.gz VANMOPYMUAVANK-WOJBJXKFSA-N 0 3 454.619 2.877 20 0 JFADHN CCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001293087796 1065737350 /nfs/dbraw/zinc/73/73/50/1065737350.db2.gz ZLSCQOMEDKRIQP-QFIPXVFZSA-N 0 3 473.710 2.733 20 0 JFADHN CCc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCCCn1cc(Br)cn1 ZINC001293116464 1065763473 /nfs/dbraw/zinc/76/34/73/1065763473.db2.gz MFLBYTYMVYKYDW-KRWDZBQOSA-N 0 3 480.455 2.969 20 0 JFADHN CCc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001293120188 1065768844 /nfs/dbraw/zinc/76/88/44/1065768844.db2.gz DPPNFRPITIFGFC-QHCPKHFHSA-N 0 3 467.662 2.714 20 0 JFADHN CCc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001293121057 1065771041 /nfs/dbraw/zinc/77/10/41/1065771041.db2.gz WCDGLOZBNBZIEH-QHCPKHFHSA-N 0 3 485.652 2.807 20 0 JFADHN CCc1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001293127153 1065778022 /nfs/dbraw/zinc/77/80/22/1065778022.db2.gz HEWBRNQTSBVTOH-HXUWFJFHSA-N 0 3 488.080 2.616 20 0 JFADHN CCc1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001293127152 1065778096 /nfs/dbraw/zinc/77/80/96/1065778096.db2.gz HEWBRNQTSBVTOH-FQEVSTJZSA-N 0 3 488.080 2.616 20 0 JFADHN CCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC001293130979 1065782597 /nfs/dbraw/zinc/78/25/97/1065782597.db2.gz NXNALVREVHSXRY-FPOVZHCZSA-N 0 3 454.619 2.576 20 0 JFADHN CCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C ZINC001293131588 1065784141 /nfs/dbraw/zinc/78/41/41/1065784141.db2.gz PKBJPQDHANNMKG-MOPGFXCFSA-N 0 3 450.628 2.645 20 0 JFADHN CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(F)cc2Br)n1CCN1CC=CCC1 ZINC001293229355 1065885064 /nfs/dbraw/zinc/88/50/64/1065885064.db2.gz SWJHWULIXMDHLP-SFHVURJKSA-N 0 3 477.382 2.823 20 0 JFADHN CC[C@@H]1C[C@@H](C)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc2C1 ZINC001293298507 1065939250 /nfs/dbraw/zinc/93/92/50/1065939250.db2.gz QRRBQYPBJVYTOQ-XQBPLPMBSA-N 0 3 474.675 2.962 20 0 JFADHN CC[C@@H]1C[C@H](C)CN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001293298895 1065939653 /nfs/dbraw/zinc/93/96/53/1065939653.db2.gz DCPDTLPFWHZHQP-BPYKYCOYSA-N 0 3 462.683 2.970 20 0 JFADHN CC[C@@H]1CCCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001293371478 1065974478 /nfs/dbraw/zinc/97/44/78/1065974478.db2.gz MKGJRKHCJQAASZ-NHCUHLMSSA-N 0 3 480.723 2.755 20 0 JFADHN CC[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001293375183 1065981207 /nfs/dbraw/zinc/98/12/07/1065981207.db2.gz BKUMPZVKLNRXEU-QKLQHJQFSA-N 0 3 466.627 2.957 20 0 JFADHN CC[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001293413106 1065998717 /nfs/dbraw/zinc/99/87/17/1065998717.db2.gz RIZWBWGRJDRHBB-OAQYLSRUSA-N 0 3 454.619 2.800 20 0 JFADHN C[C@H](CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001293543250 1066063010 /nfs/dbraw/zinc/06/30/10/1066063010.db2.gz XPVGPTRKZOTOJK-FGTMMUONSA-N 0 3 457.040 2.905 20 0 JFADHN C[C@H](CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001293543250 1066063021 /nfs/dbraw/zinc/06/30/21/1066063021.db2.gz XPVGPTRKZOTOJK-FGTMMUONSA-N 0 3 457.040 2.905 20 0 JFADHN C[C@H](CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001293543253 1066063402 /nfs/dbraw/zinc/06/34/02/1066063402.db2.gz XPVGPTRKZOTOJK-SQNIBIBYSA-N 0 3 457.040 2.905 20 0 JFADHN C[C@H](CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001293543253 1066063416 /nfs/dbraw/zinc/06/34/16/1066063416.db2.gz XPVGPTRKZOTOJK-SQNIBIBYSA-N 0 3 457.040 2.905 20 0 JFADHN CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)CCS1 ZINC001293594859 1066102544 /nfs/dbraw/zinc/10/25/44/1066102544.db2.gz PKRXMAFBOGVEMH-ZWKOTPCHSA-N 0 3 455.694 2.777 20 0 JFADHN CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC001293603098 1066119456 /nfs/dbraw/zinc/11/94/56/1066119456.db2.gz SYTHXBLARHDXDZ-GPJHCHHRSA-N 0 3 476.710 2.913 20 0 JFADHN CC(=O)N[C@H](CC(=O)N1CCN(CC2CCOCC2)CC1)c1ccc(Br)cc1 ZINC001293707509 1066179539 /nfs/dbraw/zinc/17/95/39/1066179539.db2.gz IGBOANNUYQRFQC-HXUWFJFHSA-N 0 3 452.393 2.587 20 0 JFADHN CC/C=C\Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001293717379 1066180832 /nfs/dbraw/zinc/18/08/32/1066180832.db2.gz JNSCRERMVXDZHH-UZQCKINESA-N 0 3 466.630 2.781 20 0 JFADHN CC/C=C\Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001293717377 1066180891 /nfs/dbraw/zinc/18/08/91/1066180891.db2.gz JNSCRERMVXDZHH-IYZQMXKPSA-N 0 3 466.630 2.781 20 0 JFADHN CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001293747796 1066217605 /nfs/dbraw/zinc/21/76/05/1066217605.db2.gz CSYVPUVDJAAUAN-ICSRJNTNSA-N 0 3 468.631 2.985 20 0 JFADHN CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001293754509 1066230010 /nfs/dbraw/zinc/23/00/10/1066230010.db2.gz BEIYHISLFRUMER-JOCHJYFZSA-N 0 3 499.679 2.919 20 0 JFADHN CCC[C@@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001293809712 1066320426 /nfs/dbraw/zinc/32/04/26/1066320426.db2.gz PVAAQWZSGYSOLL-UQBPGWFLSA-N 0 3 473.618 2.672 20 0 JFADHN CCC[C@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001293847432 1066349742 /nfs/dbraw/zinc/34/97/42/1066349742.db2.gz KLEYTWSNVTZFOS-ORFBVSJDSA-N 0 3 487.693 2.767 20 0 JFADHN 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/nfs/dbraw/zinc/34/87/60/720348760.db2.gz UNDHFQUMOAEWID-GOTSBHOMSA-N 0 3 479.581 2.928 20 0 JFADHN C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn2)C1 ZINC001164732575 720529000 /nfs/dbraw/zinc/52/90/00/720529000.db2.gz FFQVHNUZNZVARF-HNNXBMFYSA-N 0 3 462.526 2.555 20 0 JFADHN O=C(c1cccnc1N1CCc2ncc(CN3CCCC3)n2CC1)N1CCN(Cc2ccccc2)CC1 ZINC001164729729 720572008 /nfs/dbraw/zinc/57/20/08/720572008.db2.gz UHXZWJOZLKXYJL-UHFFFAOYSA-N 0 3 499.663 2.895 20 0 JFADHN Clc1nc2c(ncn2Cc2ccccc2)c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740074 720662224 /nfs/dbraw/zinc/66/22/24/720662224.db2.gz PNTXAALTZSPVTC-MSOLQXFVSA-N 0 3 462.945 2.660 20 0 JFADHN CCOC(=O)c1sc2nc(C)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164746435 720758550 /nfs/dbraw/zinc/75/85/50/720758550.db2.gz YBQSAGXNSNFXKR-JKSUJKDBSA-N 0 3 454.556 2.617 20 0 JFADHN CCOC(=O)c1c2ccccn2c2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164868366 721045190 /nfs/dbraw/zinc/04/51/90/721045190.db2.gz OFPDMLJYYJSVCY-WOJBJXKFSA-N 0 3 472.549 2.934 20 0 JFADHN c1ccc(CN2CCc3c(ncnc3N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)C2)cc1 ZINC001164866395 721078842 /nfs/dbraw/zinc/07/88/42/721078842.db2.gz TURZOYZDAPKFMB-DNQXCXABSA-N 0 3 456.594 2.910 20 0 JFADHN COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864860 721090970 /nfs/dbraw/zinc/09/09/70/721090970.db2.gz GXIRSNNKXDTWDR-QZTJIDSGSA-N 0 3 453.930 2.945 20 0 JFADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5c4ccn5COC(=O)C(C)(C)C)C[C@@H]3C2)cn1 ZINC001164774101 721134233 /nfs/dbraw/zinc/13/42/33/721134233.db2.gz ZURVDPAGWBHRLT-MOPGFXCFSA-N 0 3 451.575 2.670 20 0 JFADHN O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc21 ZINC001164877605 721134355 /nfs/dbraw/zinc/13/43/55/721134355.db2.gz OZVLRNYSIBYBDA-FCHUYYIVSA-N 0 3 490.589 2.543 20 0 JFADHN Cn1cc(CN2CC[C@@H]3CN(c4ncc(NC(=O)OC(C)(C)C)c5nc[nH]c54)C[C@H]3C2)cn1 ZINC001164770943 721187598 /nfs/dbraw/zinc/18/75/98/721187598.db2.gz PGMIKCRWHGRZGT-IAGOWNOFSA-N 0 3 452.563 2.997 20 0 JFADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)C[C@H]3C2)cn1 ZINC001164774393 721199673 /nfs/dbraw/zinc/19/96/73/721199673.db2.gz YUPUYLHKWYNIKO-WOJBJXKFSA-N 0 3 493.681 2.704 20 0 JFADHN Cc1sc2nc(CN3CCOCC3)nc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164765728 721200175 /nfs/dbraw/zinc/20/01/75/721200175.db2.gz IDHJBGLVFYRTLZ-RTWAWAEBSA-N 0 3 481.670 2.832 20 0 JFADHN Cn1cc(CN2CC[C@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)ncn4)C[C@@H]3C2)cn1 ZINC001164773396 721211157 /nfs/dbraw/zinc/21/11/57/721211157.db2.gz WYKGXPNLFISIFE-VXKWHMMOSA-N 0 3 476.604 2.634 20 0 JFADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C3)O2)CC1 ZINC001164888682 721439075 /nfs/dbraw/zinc/43/90/75/721439075.db2.gz AIQGILWBPIBQFN-FOIQADDNSA-N 0 3 454.953 2.922 20 0 JFADHN CN1CCN(Cc2cn3c(n2)CN(c2ccc4c(n2)CCN(Cc2ccccc2)C4)CC3)CC1 ZINC001164794847 721511397 /nfs/dbraw/zinc/51/13/97/721511397.db2.gz XEHFNKYUOOOHTN-UHFFFAOYSA-N 0 3 457.626 2.604 20 0 JFADHN CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC001164931014 721883760 /nfs/dbraw/zinc/88/37/60/721883760.db2.gz DZHOCZZUTQRIAP-OALUTQOASA-N 0 3 467.998 2.890 20 0 JFADHN CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC001164931014 721883762 /nfs/dbraw/zinc/88/37/62/721883762.db2.gz DZHOCZZUTQRIAP-OALUTQOASA-N 0 3 467.998 2.890 20 0 JFADHN CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC001164931018 721883958 /nfs/dbraw/zinc/88/39/58/721883958.db2.gz DZHOCZZUTQRIAP-RTBURBONSA-N 0 3 467.998 2.890 20 0 JFADHN CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC001164931018 721883959 /nfs/dbraw/zinc/88/39/59/721883959.db2.gz DZHOCZZUTQRIAP-RTBURBONSA-N 0 3 467.998 2.890 20 0 JFADHN NC(=O)N1CCN(c2c3c(cnc2Cl)C2(CCN(Cc4ccccc4)CC2)OC3=O)CC1 ZINC001165044148 721941347 /nfs/dbraw/zinc/94/13/47/721941347.db2.gz KICZXDAWEDJMQN-UHFFFAOYSA-N 0 3 455.946 2.597 20 0 JFADHN NC(=O)c1ccc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164976478 722101439 /nfs/dbraw/zinc/10/14/39/722101439.db2.gz DJRZSDBFNLCQJA-WBVHZDCISA-N 0 3 451.905 2.501 20 0 JFADHN NC(=O)c1ccc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164976473 722101723 /nfs/dbraw/zinc/10/17/23/722101723.db2.gz DJRZSDBFNLCQJA-NVXWUHKLSA-N 0 3 451.905 2.501 20 0 JFADHN CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980302 722133078 /nfs/dbraw/zinc/13/30/78/722133078.db2.gz MPLCKHQILDRGBQ-SIKLNZKXSA-N 0 3 453.587 2.681 20 0 JFADHN COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1C ZINC001164972549 722137713 /nfs/dbraw/zinc/13/77/13/722137713.db2.gz ACCONUIYEWHKGI-APWZRJJASA-N 0 3 470.961 2.531 20 0 JFADHN CN1CCN(Cc2ccc(CNC(=O)N[C@@H]3CCCN(c4ccccc4F)C3=O)cc2)CC1 ZINC001264017526 1059505856 /nfs/dbraw/zinc/50/58/56/1059505856.db2.gz NFSXHTBUQLAYTR-JOCHJYFZSA-N 0 3 453.562 2.568 20 0 JFADHN CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCN(C)C[C@@H]3c3cnn(C)c3)cc2)CC1 ZINC001264109361 1059520290 /nfs/dbraw/zinc/52/02/90/1059520290.db2.gz OPSPPYTWCWSNGR-FGZHOGPDSA-N 0 3 459.616 2.515 20 0 JFADHN O=C(NCC1(N2CCSCC2)CCCC1)c1ccc(-n2cc(Br)cn2)nn1 ZINC001264519515 1059602424 /nfs/dbraw/zinc/60/24/24/1059602424.db2.gz WKTPVFZEGZATCZ-UHFFFAOYSA-N 0 3 451.394 2.516 20 0 JFADHN CNC(=O)COc1cccc(CC(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)c1 ZINC001264987358 1059746020 /nfs/dbraw/zinc/74/60/20/1059746020.db2.gz SYQVDAVNZUCBQX-UHFFFAOYSA-N 0 3 451.489 2.963 20 0 JFADHN COc1cc(C(=O)NCC2(N3CCSCC3)CCCCC2)cc(Cl)c1OCC(N)=O ZINC001265126965 1059774208 /nfs/dbraw/zinc/77/42/08/1059774208.db2.gz POVYYYHEVMNDHU-UHFFFAOYSA-N 0 3 456.008 2.694 20 0 JFADHN CN(C(=O)c1ccc(NC(=O)c2cn(Cc3cccc(F)c3)nn2)cc1)[C@H]1CCCN(C)C1 ZINC001265248219 1059806918 /nfs/dbraw/zinc/80/69/18/1059806918.db2.gz VZENJNBIXVXUME-NRFANRHFSA-N 0 3 450.518 2.884 20 0 JFADHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H](CN(C)C)Oc4ccccc43)CC2)cc1 ZINC001266160742 1059968263 /nfs/dbraw/zinc/96/82/63/1059968263.db2.gz VJQAAKFORQTATE-FQEVSTJZSA-N 0 3 457.596 2.752 20 0 JFADHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 ZINC001279602258 1059986561 /nfs/dbraw/zinc/98/65/61/1059986561.db2.gz YBVXTVGEFZUCGG-JOCHJYFZSA-N 0 3 457.615 2.796 20 0 JFADHN Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CCN2CCN(C)C(C)(C)C2)o1 ZINC001289582908 1061227634 /nfs/dbraw/zinc/22/76/34/1061227634.db2.gz DMLOTHGSZNCWIP-NRFANRHFSA-N 0 3 485.677 2.861 20 0 JFADHN Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCN2CC=CCC2)cc1Br ZINC001289605471 1061251333 /nfs/dbraw/zinc/25/13/33/1061251333.db2.gz PBVXYZIYUWCHDB-UHFFFAOYSA-N 0 3 459.392 2.604 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccn4C)n3CCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286870284 1061264718 /nfs/dbraw/zinc/26/47/18/1061264718.db2.gz INKOBRQZTYOKER-XUZZJYLKSA-N 0 3 485.677 2.725 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccccc4C)n3CCC(=O)NC(C)C)C[C@@H]2C)CC1 ZINC001286870483 1061265597 /nfs/dbraw/zinc/26/55/97/1061265597.db2.gz IPPCZPOCXWOCPS-URXFXBBRSA-N 0 3 495.672 2.547 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc([C@H]4CCCO4)n3CCCOCC(C)C)C[C@H]2C)CC1 ZINC001286870895 1061268691 /nfs/dbraw/zinc/26/86/91/1061268691.db2.gz LMQYRHWLEZJRGA-YMPZKCBVSA-N 0 3 476.666 2.571 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc([C@H]4CCCO4)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286870894 1061268778 /nfs/dbraw/zinc/26/87/78/1061268778.db2.gz LMQYRHWLEZJRGA-MDNUFGMLSA-N 0 3 476.666 2.571 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H]3OCCC3(C)C)C[C@@H]2C)CC1 ZINC001286870837 1061268927 /nfs/dbraw/zinc/26/89/27/1061268927.db2.gz KUISYPHOQBLCNF-KSEOMHKRSA-N 0 3 460.667 2.671 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCCC3CCCC3)C[C@H]2C)CC1 ZINC001286871723 1061274613 /nfs/dbraw/zinc/27/46/13/1061274613.db2.gz PHVKVIHIPRBNJP-OFNKIYASSA-N 0 3 487.693 2.766 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CCCn3nc(C)cc3C)C[C@H]2C)CC1 ZINC001286871758 1061274673 /nfs/dbraw/zinc/27/46/73/1061274673.db2.gz PSZVLBKBSXQQKY-AUSIDOKSSA-N 0 3 470.666 2.684 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3CC3(O)CCCCC3)C[C@@H]2C)CC1 ZINC001286872592 1061279666 /nfs/dbraw/zinc/27/96/66/1061279666.db2.gz WTFSDIGSZUMUGO-RBBKRZOGSA-N 0 3 460.667 2.551 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3CCCCc3nc(C)cs3)C[C@H]2C)CC1 ZINC001286872724 1061280012 /nfs/dbraw/zinc/28/00/12/1061280012.db2.gz XFYUPFWGTLESQA-UTKZUKDTSA-N 0 3 459.664 2.753 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C4CC4)n3CCCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286872736 1061280363 /nfs/dbraw/zinc/28/03/63/1061280363.db2.gz XGNWZGQTNOORQU-NZQKXSOJSA-N 0 3 460.667 2.987 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@](C)(O)c3ccsc3)C[C@H]2C)CC1 ZINC001286872766 1061281433 /nfs/dbraw/zinc/28/14/33/1061281433.db2.gz XQVYOALHGMXOHD-QNIAMRLHSA-N 0 3 488.702 2.825 20 0 JFADHN CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC001286880725 1061304845 /nfs/dbraw/zinc/30/48/45/1061304845.db2.gz TXCAIZCLHXSXOV-PTUXOGIPSA-N 0 3 454.619 2.840 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N(C)CC3CCOCC3)n2C[C@@H]2CCCN2CCCO)cc1C ZINC001289726393 1061334501 /nfs/dbraw/zinc/33/45/01/1061334501.db2.gz RBDCLDCYXBCYHZ-QHCPKHFHSA-N 0 3 484.645 2.857 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCN2CCC[C@@H]2C)cc1C ZINC001289740242 1061354193 /nfs/dbraw/zinc/35/41/93/1061354193.db2.gz MFLSHJITXYOZGK-NRFANRHFSA-N 0 3 481.645 2.936 20 0 JFADHN CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)cc1 ZINC001286895680 1061375954 /nfs/dbraw/zinc/37/59/54/1061375954.db2.gz YOGBNEQFVULYNB-NBGIEHNGSA-N 0 3 495.672 2.862 20 0 JFADHN CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCC(C)CC2)C1 ZINC001286905636 1061420343 /nfs/dbraw/zinc/42/03/43/1061420343.db2.gz VARBAZLXEBZVSV-QHCPKHFHSA-N 0 3 481.645 2.984 20 0 JFADHN CC(=O)N[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001286907618 1061438678 /nfs/dbraw/zinc/43/86/78/1061438678.db2.gz CYDCEAGPWNYLLT-RBBKRZOGSA-N 0 3 451.550 2.887 20 0 JFADHN CC(=O)N[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001286914752 1061486558 /nfs/dbraw/zinc/48/65/58/1061486558.db2.gz ZGFFWWUJLKADGS-DHIUTWEWSA-N 0 3 482.608 2.687 20 0 JFADHN Cc1ccc(OCc2nnc(N3CCOC[C@H]3C)n2CCN2CCN(C)C(C)(C)C2)cc1C ZINC001289832446 1061508824 /nfs/dbraw/zinc/50/88/24/1061508824.db2.gz WOVZGSMXLVDPRI-OAQYLSRUSA-N 0 3 456.635 2.725 20 0 JFADHN CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCCC2)C1 ZINC001286921677 1061518691 /nfs/dbraw/zinc/51/86/91/1061518691.db2.gz JBUUFDSFFYJJFH-NRFANRHFSA-N 0 3 467.618 2.596 20 0 JFADHN CC(=O)NC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001286928091 1061546891 /nfs/dbraw/zinc/54/68/91/1061546891.db2.gz KTEVNGNVVAVXAT-ZJSXRUAMSA-N 0 3 496.635 2.934 20 0 JFADHN CCOc1ccc(C(=O)NCC(=O)Nc2cccc(CN3CCC(O)CC3)c2)cc1OCC ZINC001294099200 1061579911 /nfs/dbraw/zinc/57/99/11/1061579911.db2.gz KDUQZGXZUVAKKS-UHFFFAOYSA-N 0 3 455.555 2.809 20 0 JFADHN CCCCCC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC(C)CC2)CC1 ZINC001294104714 1061585406 /nfs/dbraw/zinc/58/54/06/1061585406.db2.gz SAOPZWRUNKGBND-UHFFFAOYSA-N 0 3 487.693 2.911 20 0 JFADHN CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001286940922 1061585634 /nfs/dbraw/zinc/58/56/34/1061585634.db2.gz ISXXRAZWMPTXHA-QZTJIDSGSA-N 0 3 458.588 2.552 20 0 JFADHN CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001286940921 1061585715 /nfs/dbraw/zinc/58/57/15/1061585715.db2.gz ISXXRAZWMPTXHA-MSOLQXFVSA-N 0 3 458.588 2.552 20 0 JFADHN Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@H](c2ccc(F)cc2)N(C)C)n1 ZINC001289948269 1061640307 /nfs/dbraw/zinc/64/03/07/1061640307.db2.gz VHQATRWVOYROQP-OAQYLSRUSA-N 0 3 451.550 2.792 20 0 JFADHN Cc1cccc(-c2nnc(N3CCC(CN4CCOCC4)CC3)n2CCCOC(F)F)n1 ZINC001289951584 1061647162 /nfs/dbraw/zinc/64/71/62/1061647162.db2.gz WXLDKMSRZUGZDA-UHFFFAOYSA-N 0 3 450.534 2.826 20 0 JFADHN CC(=O)NCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC2CC2)CC1 ZINC001286950422 1061681008 /nfs/dbraw/zinc/68/10/08/1061681008.db2.gz ZXENJBBIKUFVJM-UHFFFAOYSA-N 0 3 461.408 2.766 20 0 JFADHN Cc1cccc(-c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC2(N(C)C)CCCC2)n1 ZINC001289972304 1061681159 /nfs/dbraw/zinc/68/11/59/1061681159.db2.gz KETCBRAWCKENJA-LJQANCHMSA-N 0 3 460.648 2.926 20 0 JFADHN CCCCN(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001294216998 1061726497 /nfs/dbraw/zinc/72/64/97/1061726497.db2.gz NLLGEFAEOWILLB-GOSISDBHSA-N 0 3 489.564 2.848 20 0 JFADHN CN(C)CCN(C)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)c2ccccc2)c1 ZINC001294235716 1061749859 /nfs/dbraw/zinc/74/98/59/1061749859.db2.gz GJECCBRHNNZBPY-UHFFFAOYSA-N 0 3 454.390 2.908 20 0 JFADHN CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@@H](C(N)=O)C2)CCN(Cc2ccccc2)CC1 ZINC001290051443 1061769594 /nfs/dbraw/zinc/76/95/94/1061769594.db2.gz VHWARFLMEHBLLW-HXUWFJFHSA-N 0 3 458.603 2.660 20 0 JFADHN Cc1cccc(OCc2nnc(N3CCN(C4CCCC4)CC3)n2CC(=O)NCC(F)F)c1 ZINC001290074798 1061802935 /nfs/dbraw/zinc/80/29/35/1061802935.db2.gz OOHVKDJJZWOLPX-UHFFFAOYSA-N 0 3 462.545 2.611 20 0 JFADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CC(C)(C)CN1CCCC1 ZINC001286979357 1061805823 /nfs/dbraw/zinc/80/58/23/1061805823.db2.gz YNFHXJKOGIOGQB-MOPGFXCFSA-N 0 3 462.664 2.644 20 0 JFADHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@@H](C)C2)C1 ZINC001294315674 1061808894 /nfs/dbraw/zinc/80/88/94/1061808894.db2.gz COUPAPPLOSJJAL-YPAWHYETSA-N 0 3 487.693 2.767 20 0 JFADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCCC1 ZINC001286979986 1061810362 /nfs/dbraw/zinc/81/03/62/1061810362.db2.gz JVHDUEQMOYFBPK-WOJBJXKFSA-N 0 3 485.658 2.875 20 0 JFADHN CC(C)(C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC001286984730 1061846742 /nfs/dbraw/zinc/84/67/42/1061846742.db2.gz ICRZGEFNTNJUAL-UHFFFAOYSA-N 0 3 496.660 2.790 20 0 JFADHN CC(C)(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1ccccc1OC(F)F ZINC001287006795 1061928758 /nfs/dbraw/zinc/92/87/58/1061928758.db2.gz BZYIHUNHNGLUAW-UHFFFAOYSA-N 0 3 476.572 2.970 20 0 JFADHN CC(C)(C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1cccnc1OCC(F)F ZINC001287010205 1061940749 /nfs/dbraw/zinc/94/07/49/1061940749.db2.gz HKQSUGMWSMNEMG-QGZVFWFLSA-N 0 3 464.561 2.821 20 0 JFADHN CC(C)(C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1cccc(Br)n1 ZINC001287011627 1061943249 /nfs/dbraw/zinc/94/32/49/1061943249.db2.gz SZPUUABXRDMINP-INIZCTEOSA-N 0 3 463.424 2.940 20 0 JFADHN CCCCOc1ncccc1Cn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1C(C)(C)C ZINC001294380777 1061953870 /nfs/dbraw/zinc/95/38/70/1061953870.db2.gz NQQOHLGGWWEZLN-NRFANRHFSA-N 0 3 483.661 2.941 20 0 JFADHN CC(C)(C)Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC1(N2CCCC2)CCOCC1 ZINC001287031585 1061984404 /nfs/dbraw/zinc/98/44/04/1061984404.db2.gz IDOUOIHYOAWYOI-FQEVSTJZSA-N 0 3 481.707 2.915 20 0 JFADHN CC(C)(C)Cc1nnc(N2CCN(C3CCOCC3)CC2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001287034752 1061998791 /nfs/dbraw/zinc/99/87/91/1061998791.db2.gz VKMQCPKXTOIOFS-HXUWFJFHSA-N 0 3 484.636 2.524 20 0 JFADHN CC(C)(C)Cc1nnc(N2CCN(CC3CC3)CC2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001287036699 1062002952 /nfs/dbraw/zinc/00/29/52/1062002952.db2.gz YHQVPCAHUIGLKZ-UHFFFAOYSA-N 0 3 456.610 2.897 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287040886 1062007544 /nfs/dbraw/zinc/00/75/44/1062007544.db2.gz AWDYBGFTKKJOAM-RTBURBONSA-N 0 3 488.599 2.603 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287040883 1062007589 /nfs/dbraw/zinc/00/75/89/1062007589.db2.gz AWDYBGFTKKJOAM-MOPGFXCFSA-N 0 3 488.599 2.603 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCOC2)CC1 ZINC001287041802 1062010402 /nfs/dbraw/zinc/01/04/02/1062010402.db2.gz RVTSBCINEPPHKD-DEOSSOPVSA-N 0 3 461.582 2.706 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 ZINC001287042939 1062014056 /nfs/dbraw/zinc/01/40/56/1062014056.db2.gz JHRNREBKUCICHS-QUCCMNQESA-N 0 3 475.659 2.820 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(-c3cc4ccccc4o3)n2CCOCCS(C)(=O)=O)CC1 ZINC001287043249 1062014635 /nfs/dbraw/zinc/01/46/35/1062014635.db2.gz VKZRXTDCGHIUFG-UHFFFAOYSA-N 0 3 475.615 2.673 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(COc3ccc(Br)cc3)n2CCn2cncn2)CC1 ZINC001287043858 1062016987 /nfs/dbraw/zinc/01/69/87/1062016987.db2.gz OFUJFSLJDSULOH-UHFFFAOYSA-N 0 3 489.422 2.832 20 0 JFADHN COC(=O)c1ccsc1N1CC[C@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1=O ZINC001294480487 1062030717 /nfs/dbraw/zinc/03/07/17/1062030717.db2.gz FXWTVGSSCOMSNL-APWZRJJASA-N 0 3 459.543 2.808 20 0 JFADHN CCCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCN(C)C(C)(C)C1 ZINC001294481451 1062031283 /nfs/dbraw/zinc/03/12/83/1062031283.db2.gz GBSRQSZKUIFQFF-UHFFFAOYSA-N 0 3 490.722 2.809 20 0 JFADHN CCC[N@H+](CC)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001294514896 1062050639 /nfs/dbraw/zinc/05/06/39/1062050639.db2.gz XQZMNWKIUCGAJU-UHFFFAOYSA-N 0 3 451.575 2.673 20 0 JFADHN CCC[N@@H+](CC)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001294514896 1062050659 /nfs/dbraw/zinc/05/06/59/1062050659.db2.gz XQZMNWKIUCGAJU-UHFFFAOYSA-N 0 3 451.575 2.673 20 0 JFADHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001294519362 1062055429 /nfs/dbraw/zinc/05/54/29/1062055429.db2.gz DCWMLUZJRRIMEP-PMACEKPBSA-N 0 3 492.665 2.766 20 0 JFADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001294523412 1062060040 /nfs/dbraw/zinc/06/00/40/1062060040.db2.gz YZKJLWJKVLCXER-LJQANCHMSA-N 0 3 467.680 2.840 20 0 JFADHN CCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294603272 1062113201 /nfs/dbraw/zinc/11/32/01/1062113201.db2.gz VYWVIICBUOTKPT-AVRDEDQJSA-N 0 3 470.618 2.751 20 0 JFADHN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H]3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cs1 ZINC001290413203 1062132071 /nfs/dbraw/zinc/13/20/71/1062132071.db2.gz BVVACHAXLGJLAW-SQGPQFPESA-N 0 3 459.664 2.811 20 0 JFADHN Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H]3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)cs1 ZINC001290413205 1062132122 /nfs/dbraw/zinc/13/21/22/1062132122.db2.gz BVVACHAXLGJLAW-ZWOKBUDYSA-N 0 3 459.664 2.811 20 0 JFADHN Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC001290415476 1062135474 /nfs/dbraw/zinc/13/54/74/1062135474.db2.gz GDNOHNCQBNKEIM-UHFFFAOYSA-N 0 3 456.591 2.705 20 0 JFADHN Cc1nc(Cc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC(C)(C)N2CCC[C@@H](C)C2)cs1 ZINC001290422217 1062160205 /nfs/dbraw/zinc/16/02/05/1062160205.db2.gz WNYSFSIUXKVETK-APWZRJJASA-N 0 3 480.704 2.768 20 0 JFADHN Cc1nc(Cc2nnc(N3CCN(CCN(C)Cc4ccccc4)CC3)n2CC(C)(C)O)cs1 ZINC001290435026 1062202589 /nfs/dbraw/zinc/20/25/89/1062202589.db2.gz DTXBCCAXHDKXGL-UHFFFAOYSA-N 0 3 483.686 2.659 20 0 JFADHN Cc1nc(Cc2nnc(N3CCN(CC4CCOCC4)CC3)n2CCOC(C)(C)C)cs1 ZINC001290435689 1062206073 /nfs/dbraw/zinc/20/60/73/1062206073.db2.gz XUANPLXGRPWJRZ-UHFFFAOYSA-N 0 3 462.664 2.998 20 0 JFADHN CCCN1CC[C@H](Cn2c(COc3ccccc3OC)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294667397 1062222598 /nfs/dbraw/zinc/22/25/98/1062222598.db2.gz ZPGDKGGYULRHOG-PMACEKPBSA-N 0 3 491.658 2.611 20 0 JFADHN CCCN1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCS(=O)(=O)CC)C1 ZINC001294671498 1062230625 /nfs/dbraw/zinc/23/06/25/1062230625.db2.gz XOBAXIILSXFGRG-VAMGGRTRSA-N 0 3 469.696 2.800 20 0 JFADHN Cc1nnc(CCn2c(N(C)C[C@@H](c3cccs3)N3CCOCC3)nnc2C(C)(C)C)[nH]1 ZINC001290465118 1062249432 /nfs/dbraw/zinc/24/94/32/1062249432.db2.gz YBMSZBHFAUKGSS-KRWDZBQOSA-N 0 3 458.636 2.816 20 0 JFADHN CC(C)(CN1CCCC1)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001287094063 1062293928 /nfs/dbraw/zinc/29/39/28/1062293928.db2.gz HGLVBIKCSCCASS-HXUWFJFHSA-N 0 3 463.623 2.753 20 0 JFADHN CC(C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001287101583 1062312061 /nfs/dbraw/zinc/31/20/61/1062312061.db2.gz FSCLCAWFIKADIM-CALCHBBNSA-N 0 3 450.628 2.740 20 0 JFADHN CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001287109138 1062321564 /nfs/dbraw/zinc/32/15/64/1062321564.db2.gz HCRQRSIVFOAJBZ-UNMCSNQZSA-N 0 3 472.609 2.919 20 0 JFADHN CC(C)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001287114860 1062339620 /nfs/dbraw/zinc/33/96/20/1062339620.db2.gz TZFJKPOUWFDLQA-HSZRJFAPSA-N 0 3 461.614 2.871 20 0 JFADHN CCCNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)N(CC)C[C@H]2C)c1 ZINC001294770399 1062368148 /nfs/dbraw/zinc/36/81/48/1062368148.db2.gz FTHXHNWUFSUTBK-RBUKOAKNSA-N 0 3 469.634 2.523 20 0 JFADHN CCCNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)c1 ZINC001294770397 1062368273 /nfs/dbraw/zinc/36/82/73/1062368273.db2.gz FTHXHNWUFSUTBK-MOPGFXCFSA-N 0 3 469.634 2.523 20 0 JFADHN Cc1cc(C)n([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCN3CCC(C)CC3)C2)n1 ZINC001290582343 1062389050 /nfs/dbraw/zinc/38/90/50/1062389050.db2.gz ULDVBMAHYYAZIJ-NRFANRHFSA-N 0 3 456.639 2.803 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001290597718 1062419480 /nfs/dbraw/zinc/41/94/80/1062419480.db2.gz HUEZUDKYHQHXCA-HSZRJFAPSA-N 0 3 478.645 2.719 20 0 JFADHN CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001294799478 1062439821 /nfs/dbraw/zinc/43/98/21/1062439821.db2.gz GEXWJMPUIPDZGJ-FSSWDIPSSA-N 0 3 454.619 2.828 20 0 JFADHN CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3OC)n2CCN2CC=CCC2)C1 ZINC001294806604 1062459688 /nfs/dbraw/zinc/45/96/88/1062459688.db2.gz WVUFHGQYGNHBLI-JOCHJYFZSA-N 0 3 466.630 2.882 20 0 JFADHN CC(C)C(=O)NCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001287137115 1062476020 /nfs/dbraw/zinc/47/60/20/1062476020.db2.gz UDTKEMQKINIQBQ-KRWDZBQOSA-N 0 3 479.000 2.668 20 0 JFADHN CCCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N2CCC(C)CC2)CC1 ZINC001294811803 1062480161 /nfs/dbraw/zinc/48/01/61/1062480161.db2.gz PSYFMLJEHDGRCK-HXUWFJFHSA-N 0 3 496.660 2.788 20 0 JFADHN CC(C)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001287142731 1062505162 /nfs/dbraw/zinc/50/51/62/1062505162.db2.gz NKRJZFHYYJWMRN-OAQYLSRUSA-N 0 3 496.722 2.748 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H](c2cccs2)N(C)C)n1 ZINC001290636170 1062518231 /nfs/dbraw/zinc/51/82/31/1062518231.db2.gz UKZWWWPYKOSVTH-OALUTQOASA-N 0 3 470.647 2.596 20 0 JFADHN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN2CC=CCC2)CC1 ZINC001287151402 1062522910 /nfs/dbraw/zinc/52/29/10/1062522910.db2.gz ARHGTMAVCGTXLV-FQEVSTJZSA-N 0 3 451.619 2.979 20 0 JFADHN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001287153147 1062530247 /nfs/dbraw/zinc/53/02/47/1062530247.db2.gz MYDKJZNTORFCRY-PMOQBDJRSA-N 0 3 495.672 2.909 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCN(C4CCOCC4)CC3)n2C[C@](C)(O)CCC(C)C)n1 ZINC001290646595 1062538174 /nfs/dbraw/zinc/53/81/74/1062538174.db2.gz RCQSTUNWASQMDC-RUZDIDTESA-N 0 3 473.666 2.628 20 0 JFADHN CCCNC(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001294847687 1062546755 /nfs/dbraw/zinc/54/67/55/1062546755.db2.gz WNAKTHZCTWQYPI-ZWKOTPCHSA-N 0 3 456.591 2.552 20 0 JFADHN CC(C)c1nnc(N(C)Cc2nc3ccccc3c(=O)[nH]2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001287181732 1062607723 /nfs/dbraw/zinc/60/77/23/1062607723.db2.gz VALAFKSDIRIRBL-FQEVSTJZSA-N 0 3 480.617 2.629 20 0 JFADHN CCCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCN(CC(C)C)CC1 ZINC001294899045 1062633139 /nfs/dbraw/zinc/63/31/39/1062633139.db2.gz PYHWLRCVKYMUPC-UHFFFAOYSA-N 0 3 494.644 2.540 20 0 JFADHN CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCOc1cccc(Cl)c1 ZINC001287214203 1062676322 /nfs/dbraw/zinc/67/63/22/1062676322.db2.gz KFPOEBAGQTYVJD-FQEVSTJZSA-N 0 3 461.010 2.877 20 0 JFADHN Cc1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001290763006 1062678340 /nfs/dbraw/zinc/67/83/40/1062678340.db2.gz OEKRRGCULJOOBN-GOSISDBHSA-N 0 3 458.567 2.735 20 0 JFADHN Cc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CCCN1CCc2ccccc2C1 ZINC001290763008 1062678547 /nfs/dbraw/zinc/67/85/47/1062678547.db2.gz OEOBXNUXVKWLQX-IBGZPJMESA-N 0 3 450.509 2.540 20 0 JFADHN Cc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001290769528 1062684092 /nfs/dbraw/zinc/68/40/92/1062684092.db2.gz JKILBFJWETYVSS-GOSISDBHSA-N 0 3 456.488 2.923 20 0 JFADHN CC(C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001287219441 1062701857 /nfs/dbraw/zinc/70/18/57/1062701857.db2.gz LHAPJRBDHNFCGR-SFHVURJKSA-N 0 3 462.639 2.958 20 0 JFADHN Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001290797566 1062702470 /nfs/dbraw/zinc/70/24/70/1062702470.db2.gz JFKXZBASAIQERM-FQEVSTJZSA-N 0 3 481.567 2.770 20 0 JFADHN CC(C)c1nnc(N2CCN(c3ccccc3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001287221446 1062706593 /nfs/dbraw/zinc/70/65/93/1062706593.db2.gz UOHKHQPYEWVCNZ-QFIPXVFZSA-N 0 3 453.635 2.671 20 0 JFADHN Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001290829096 1062722922 /nfs/dbraw/zinc/72/29/22/1062722922.db2.gz QVEYQHBACGURCX-RPWUZVMVSA-N 0 3 468.646 2.866 20 0 JFADHN Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001290829097 1062723138 /nfs/dbraw/zinc/72/31/38/1062723138.db2.gz QVEYQHBACGURCX-ZEQRLZLVSA-N 0 3 468.646 2.866 20 0 JFADHN O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCCC[N@@H+]1CCc2ccccc2C1 ZINC001290841199 1062729723 /nfs/dbraw/zinc/72/97/23/1062729723.db2.gz APYBYXQNEKIGKX-UHFFFAOYSA-N 0 3 456.395 2.836 20 0 JFADHN O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCCC[N@H+]1CCc2ccccc2C1 ZINC001290841199 1062729748 /nfs/dbraw/zinc/72/97/48/1062729748.db2.gz APYBYXQNEKIGKX-UHFFFAOYSA-N 0 3 456.395 2.836 20 0 JFADHN CCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(CN3CCOCC3)CC2)cc1 ZINC001294947995 1062733331 /nfs/dbraw/zinc/73/33/31/1062733331.db2.gz JNMVHJITRFGGOK-UHFFFAOYSA-N 0 3 484.645 2.802 20 0 JFADHN CCN1CCN(Cc2ccccc2CNC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)CC1 ZINC001290859875 1062744040 /nfs/dbraw/zinc/74/40/40/1062744040.db2.gz LBKUZPLBGGXPPA-AREMUKBSSA-N 0 3 450.627 2.638 20 0 JFADHN CCN1CCN(Cc2ccccc2CNC(=O)c2[nH]c(C)c(C(=O)OCCOC)c2C)CC1 ZINC001290859719 1062744142 /nfs/dbraw/zinc/74/41/42/1062744142.db2.gz IHYJAIAGAJBIPC-UHFFFAOYSA-N 0 3 456.587 2.502 20 0 JFADHN Cc1nnc(N2CCN(C[C@H](O)COc3ccccc3)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001290872345 1062758237 /nfs/dbraw/zinc/75/82/37/1062758237.db2.gz ZFNXRXPBJRCKIS-JTHBVZDNSA-N 0 3 470.643 2.513 20 0 JFADHN CCCOc1ncccc1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001294976864 1062760748 /nfs/dbraw/zinc/76/07/48/1062760748.db2.gz DMWLWUUTZAYTSZ-CTNGQTDRSA-N 0 3 469.634 2.767 20 0 JFADHN Cc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001290877177 1062761761 /nfs/dbraw/zinc/76/17/61/1062761761.db2.gz SRYBYOBAFLMNBP-HXUWFJFHSA-N 0 3 471.650 2.754 20 0 JFADHN Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC001290898296 1062771775 /nfs/dbraw/zinc/77/17/75/1062771775.db2.gz VOSUCGGFFUQLJT-TZIWHRDSSA-N 0 3 469.634 2.901 20 0 JFADHN CC(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001287306038 1062776854 /nfs/dbraw/zinc/77/68/54/1062776854.db2.gz IPSFEHUBDRDBEE-URVUXULASA-N 0 3 460.667 2.671 20 0 JFADHN CCN1CCN(Cc2ccc(CNC(=O)[C@H]3[C@@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]43)cc2)CC1 ZINC001290920187 1062795354 /nfs/dbraw/zinc/79/53/54/1062795354.db2.gz FJMHNNPRPGABKT-YTFSRNRJSA-N 0 3 456.631 2.943 20 0 JFADHN Cc1sc(=O)n(CC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c1-c1ccccc1 ZINC001290920257 1062795438 /nfs/dbraw/zinc/79/54/38/1062795438.db2.gz GKTJPWIRBMTMCI-UHFFFAOYSA-N 0 3 450.608 2.949 20 0 JFADHN CC(C)Cc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001287351926 1062823809 /nfs/dbraw/zinc/82/38/09/1062823809.db2.gz KWTRYBRMOAODPM-NRFANRHFSA-N 0 3 480.654 2.779 20 0 JFADHN CC(C)Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCN(C)CC(F)(F)F ZINC001287417854 1062855821 /nfs/dbraw/zinc/85/58/21/1062855821.db2.gz FMZRZJSSTYDTTA-IBGZPJMESA-N 0 3 459.605 2.575 20 0 JFADHN CC(C)Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCCNC(=O)c1cccc(O)c1 ZINC001287418142 1062856210 /nfs/dbraw/zinc/85/62/10/1062856210.db2.gz LPSHALYQWOMYMT-QHCPKHFHSA-N 0 3 497.688 2.607 20 0 JFADHN C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(Br)cc2)n1CCN1CCCCC1 ZINC001290985506 1062871126 /nfs/dbraw/zinc/87/11/26/1062871126.db2.gz IORVCOYKUIVMMO-KRWDZBQOSA-N 0 3 491.434 2.772 20 0 JFADHN CC(C)Cc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001287448844 1062884784 /nfs/dbraw/zinc/88/47/84/1062884784.db2.gz XSUMVCNQZGXTGH-FCHUYYIVSA-N 0 3 492.665 2.923 20 0 JFADHN CCN(C)C(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001295068601 1062889286 /nfs/dbraw/zinc/88/92/86/1062889286.db2.gz ZMAMCTKLSHRCPH-IBGZPJMESA-N 0 3 474.053 2.682 20 0 JFADHN C[C@@H]1C[C@H](C)CN(C(C)(C)Cn2c([C@H]3CCOC3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001291000596 1062896080 /nfs/dbraw/zinc/89/60/80/1062896080.db2.gz VQXZOERDKZBWQY-OTWHNJEPSA-N 0 3 467.680 2.552 20 0 JFADHN CC(C)O[C@]1(c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCOC1 ZINC001291002498 1062899597 /nfs/dbraw/zinc/89/95/97/1062899597.db2.gz VMINUOSMSZRGNO-IMIIHFCZSA-N 0 3 490.693 2.744 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001287464936 1062909477 /nfs/dbraw/zinc/90/94/77/1062909477.db2.gz TXWDZLWCZBXODW-URXFXBBRSA-N 0 3 460.667 2.672 20 0 JFADHN CC(C)Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001287466120 1062914852 /nfs/dbraw/zinc/91/48/52/1062914852.db2.gz WHBGJYBVMLBMHU-REWPJTCUSA-N 0 3 467.662 2.569 20 0 JFADHN C[C@@H]1C[C@H](C)CN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCc2nccs2)C1 ZINC001291012549 1062916610 /nfs/dbraw/zinc/91/66/10/1062916610.db2.gz AUGUBYSFOHLFJO-CEXWTWQISA-N 0 3 480.704 2.684 20 0 JFADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1CCCN1C[C@H](C)C[C@H](C)C1 ZINC001291013611 1062920921 /nfs/dbraw/zinc/92/09/21/1062920921.db2.gz PJWDCULWRZTYTO-IYWMVGAKSA-N 0 3 455.669 2.757 20 0 JFADHN CC(C)Cc1nnc(N2CCN(c3ccccc3F)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001287472258 1062922673 /nfs/dbraw/zinc/92/26/73/1062922673.db2.gz ZERDTYFNIJABEC-UHFFFAOYSA-N 0 3 457.642 2.968 20 0 JFADHN O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001295109604 1062934059 /nfs/dbraw/zinc/93/40/59/1062934059.db2.gz XLVAMEMQZBSFST-JOCHJYFZSA-N 0 3 456.612 2.536 20 0 JFADHN CC(C)CC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001287525218 1062961741 /nfs/dbraw/zinc/96/17/41/1062961741.db2.gz GAXBTGXSZLBEHY-AREMUKBSSA-N 0 3 499.660 2.661 20 0 JFADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc(I)cc1 ZINC001295145554 1062965711 /nfs/dbraw/zinc/96/57/11/1062965711.db2.gz FUBNQVBMKJQYFQ-IEBWSBKVSA-N 0 3 450.320 2.904 20 0 JFADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001295145523 1062966322 /nfs/dbraw/zinc/96/63/22/1062966322.db2.gz FJWCIRYYVMIYOZ-ZWKOTPCHSA-N 0 3 455.452 2.974 20 0 JFADHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1csc(I)c1 ZINC001295145916 1062967011 /nfs/dbraw/zinc/96/70/11/1062967011.db2.gz HRJSYPGARFRYCW-CVEARBPZSA-N 0 3 456.349 2.966 20 0 JFADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CCN(C)Cc1ccc(F)cc1 ZINC001291043355 1062972264 /nfs/dbraw/zinc/97/22/64/1062972264.db2.gz BPZBWNXWHSWZAO-KURKYZTESA-N 0 3 466.627 2.784 20 0 JFADHN CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295193551 1063013636 /nfs/dbraw/zinc/01/36/36/1063013636.db2.gz IQTFEDPGAKEXFM-PZJWPPBQSA-N 0 3 460.648 2.782 20 0 JFADHN C[C@H]1CCC[C@@](Cn2c(COc3ccccc3F)nnc2N2CCS(=O)(=O)CC2)(N(C)C)C1 ZINC001291067858 1063014756 /nfs/dbraw/zinc/01/47/56/1063014756.db2.gz GNVKMIBTLCAQRK-FDDCHVKYSA-N 0 3 479.622 2.742 20 0 JFADHN C[C@@H]1CCC[C@@](Cn2c(COc3ccccc3F)nnc2N2CCS(=O)(=O)CC2)(N(C)C)C1 ZINC001291067861 1063015424 /nfs/dbraw/zinc/01/54/24/1063015424.db2.gz GNVKMIBTLCAQRK-WZONZLPQSA-N 0 3 479.622 2.742 20 0 JFADHN C[C@@H]1CCC[C@@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CC(F)C2)(N(C)C)C1 ZINC001291069177 1063018038 /nfs/dbraw/zinc/01/80/38/1063018038.db2.gz XXBSBCNJHWYMDF-SZTDUVBNSA-N 0 3 455.644 2.875 20 0 JFADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)C2=NOC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001295211722 1063026223 /nfs/dbraw/zinc/02/62/23/1063026223.db2.gz LIKXIJFPUUADLI-HXUWFJFHSA-N 0 3 458.559 2.714 20 0 JFADHN CCN(c1nnc(Cc2cccnc2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295227413 1063048836 /nfs/dbraw/zinc/04/88/36/1063048836.db2.gz GVWBZUZMNQOYIQ-FPOVZHCZSA-N 0 3 460.648 2.542 20 0 JFADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001291090257 1063049775 /nfs/dbraw/zinc/04/97/75/1063049775.db2.gz SMAGJTYQYPSWQI-HLIPFELVSA-N 0 3 466.627 2.957 20 0 JFADHN CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295228291 1063050040 /nfs/dbraw/zinc/05/00/40/1063050040.db2.gz OVNXLDCREWMBTK-FCHUYYIVSA-N 0 3 474.675 2.645 20 0 JFADHN CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295229540 1063052115 /nfs/dbraw/zinc/05/21/15/1063052115.db2.gz YRMWXCGYBSDZIC-FGZHOGPDSA-N 0 3 474.675 2.645 20 0 JFADHN CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295229815 1063052571 /nfs/dbraw/zinc/05/25/71/1063052571.db2.gz SPAARASTJCYUHG-IFMALSPDSA-N 0 3 474.675 2.645 20 0 JFADHN CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295229978 1063052797 /nfs/dbraw/zinc/05/27/97/1063052797.db2.gz SPAARASTJCYUHG-UNMCSNQZSA-N 0 3 474.675 2.645 20 0 JFADHN CCN(c1nnc(Cc2csc(C)n2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295235256 1063055236 /nfs/dbraw/zinc/05/52/36/1063055236.db2.gz LTNNBYKLXTWZAP-YLJYHZDGSA-N 0 3 480.704 2.912 20 0 JFADHN CCN(c1nnc(Cc2csc(C)n2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295235253 1063055304 /nfs/dbraw/zinc/05/53/04/1063055304.db2.gz LTNNBYKLXTWZAP-FXAWDEMLSA-N 0 3 480.704 2.912 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCCO2)CC1 ZINC001287749115 1063073441 /nfs/dbraw/zinc/07/34/41/1063073441.db2.gz DNCWZPOACVUHCG-OAQYLSRUSA-N 0 3 490.674 2.543 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2OC(C)C)CC1 ZINC001287751167 1063076864 /nfs/dbraw/zinc/07/68/64/1063076864.db2.gz WRZMQJUZBUZRCM-LJQANCHMSA-N 0 3 478.663 2.502 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001287751512 1063077817 /nfs/dbraw/zinc/07/78/17/1063077817.db2.gz XNIWCKNIEDAWRH-GVDBMIGSSA-N 0 3 480.601 2.960 20 0 JFADHN CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295263386 1063078985 /nfs/dbraw/zinc/07/89/85/1063078985.db2.gz WYUJHXFYQCLCJB-UAFMIMERSA-N 0 3 467.680 2.900 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)N(C)Cc2ccccc2)CC1 ZINC001287766592 1063090116 /nfs/dbraw/zinc/09/01/16/1063090116.db2.gz AFRYBCQGLNMQKL-JOCHJYFZSA-N 0 3 454.619 2.956 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCCO2)CC1 ZINC001287768884 1063094866 /nfs/dbraw/zinc/09/48/66/1063094866.db2.gz LKUMTHSRCCBSFR-NHCUHLMSSA-N 0 3 492.665 2.934 20 0 JFADHN CC(C)O[C@]1(c2nnc(N3CCC[C@@H](C)CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCOC1 ZINC001291112815 1063116174 /nfs/dbraw/zinc/11/61/74/1063116174.db2.gz RFRDMCWVVIABOU-TVZXLZGTSA-N 0 3 490.693 2.888 20 0 JFADHN C[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001291117660 1063122480 /nfs/dbraw/zinc/12/24/80/1063122480.db2.gz HYFTWNSUQAFAOJ-BAGYTPMASA-N 0 3 490.674 2.540 20 0 JFADHN CCN(CC(C)C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001295285451 1063131765 /nfs/dbraw/zinc/13/17/65/1063131765.db2.gz RHJKPEVODDOPPX-VXKWHMMOSA-N 0 3 492.690 2.705 20 0 JFADHN CCN(CC(C)C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001295285452 1063131850 /nfs/dbraw/zinc/13/18/50/1063131850.db2.gz RHJKPEVODDOPPX-YADHBBJMSA-N 0 3 492.690 2.705 20 0 JFADHN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CCN1CCC[C@@H](C)C1 ZINC001291126431 1063155785 /nfs/dbraw/zinc/15/57/85/1063155785.db2.gz MHFPTZOGGLULRT-RTBURBONSA-N 0 3 490.674 2.749 20 0 JFADHN C[C@@H]1CCCN1c1nnc(CCOc2ccccc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291134566 1063184665 /nfs/dbraw/zinc/18/46/65/1063184665.db2.gz KVSPENDRVIIPTK-IFMALSPDSA-N 0 3 454.619 2.831 20 0 JFADHN C[C@H]1CCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001291135511 1063187946 /nfs/dbraw/zinc/18/79/46/1063187946.db2.gz CWSJXBRCPGUUGA-OALUTQOASA-N 0 3 498.632 2.855 20 0 JFADHN C[C@H]1CCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001291135512 1063188089 /nfs/dbraw/zinc/18/80/89/1063188089.db2.gz CWSJXBRCPGUUGA-RBUKOAKNSA-N 0 3 498.632 2.855 20 0 JFADHN C[C@@H]1CCCN1CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001291136247 1063191021 /nfs/dbraw/zinc/19/10/21/1063191021.db2.gz SZEOATIPCZRQTG-IAGOWNOFSA-N 0 3 458.529 2.546 20 0 JFADHN C[C@@H]1CCCN1CCn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)CC1 ZINC001291137146 1063194450 /nfs/dbraw/zinc/19/44/50/1063194450.db2.gz LLEZVSDUSACLMW-CYBMUJFWSA-N 0 3 458.451 2.822 20 0 JFADHN CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccccc3OC)n2CCN2CC=CCC2)CC1 ZINC001295326813 1063217499 /nfs/dbraw/zinc/21/74/99/1063217499.db2.gz CBRCCGHRVZCDOG-UHFFFAOYSA-N 0 3 495.672 2.596 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@H](C)N1CCC(C)CC1 ZINC001291142114 1063218426 /nfs/dbraw/zinc/21/84/26/1063218426.db2.gz YGWMMFYXCRBEHY-INIZCTEOSA-N 0 3 482.555 2.772 20 0 JFADHN CCN(CC)C(=O)CN1CCCN(c2nnc(C(C)C)n2CCN2CCc3ccccc3C2)CC1 ZINC001295329331 1063228845 /nfs/dbraw/zinc/22/88/45/1063228845.db2.gz SPSJMGQJUQPACH-UHFFFAOYSA-N 0 3 481.689 2.840 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1CCN1CCC(C)CC1 ZINC001291183114 1063279633 /nfs/dbraw/zinc/27/96/33/1063279633.db2.gz GPFVVSFYNVNUTE-UHFFFAOYSA-N 0 3 487.693 2.814 20 0 JFADHN CC1CCN(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001291184438 1063282934 /nfs/dbraw/zinc/28/29/34/1063282934.db2.gz ZPZXPFXMBZMIBZ-UHFFFAOYSA-N 0 3 481.523 2.551 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001295366887 1063330855 /nfs/dbraw/zinc/33/08/55/1063330855.db2.gz VNFYICODKAKVEH-HKUYNNGSSA-N 0 3 456.616 2.847 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001295366888 1063331136 /nfs/dbraw/zinc/33/11/36/1063331136.db2.gz VNFYICODKAKVEH-IEBWSBKVSA-N 0 3 456.616 2.847 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001295367045 1063331852 /nfs/dbraw/zinc/33/18/52/1063331852.db2.gz SDEVAJSYYOYZTP-QUCCMNQESA-N 0 3 486.646 2.512 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001295367662 1063333229 /nfs/dbraw/zinc/33/32/29/1063333229.db2.gz ZFILHAWGLQKNPT-IERDGZPVSA-N 0 3 467.039 2.739 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001295380024 1063352453 /nfs/dbraw/zinc/35/24/53/1063352453.db2.gz OFWPWKOPPVKTMQ-ROUUACIJSA-N 0 3 496.628 2.515 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001295380026 1063352518 /nfs/dbraw/zinc/35/25/18/1063352518.db2.gz OLZFHSPHEPSWCW-CEXWTWQISA-N 0 3 455.669 2.694 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001295380030 1063352581 /nfs/dbraw/zinc/35/25/81/1063352581.db2.gz OLZFHSPHEPSWCW-QYZOEREBSA-N 0 3 455.669 2.694 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001295380023 1063352611 /nfs/dbraw/zinc/35/26/11/1063352611.db2.gz OFWPWKOPPVKTMQ-QZTJIDSGSA-N 0 3 496.628 2.515 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(COc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001295389661 1063367070 /nfs/dbraw/zinc/36/70/70/1063367070.db2.gz FSPXVVADAQPJNR-QGZVFWFLSA-N 0 3 467.611 2.740 20 0 JFADHN CCN(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)c1ccco1 ZINC001295391696 1063375589 /nfs/dbraw/zinc/37/55/89/1063375589.db2.gz HEIRBXGTAFQCIZ-ICSRJNTNSA-N 0 3 471.606 2.844 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001295392619 1063376977 /nfs/dbraw/zinc/37/69/77/1063376977.db2.gz ZWIZSWSDUINOOI-QGZVFWFLSA-N 0 3 451.612 2.752 20 0 JFADHN CCN(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccco1 ZINC001295394092 1063380290 /nfs/dbraw/zinc/38/02/90/1063380290.db2.gz XLQRZIQYMLWCKJ-SFHVURJKSA-N 0 3 452.625 2.596 20 0 JFADHN CCN(CC)[C@H](Cn1c(C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1)c1ccsc1 ZINC001295395904 1063382330 /nfs/dbraw/zinc/38/23/30/1063382330.db2.gz ANCLUWGDDZHVMG-LAUBAEHRSA-N 0 3 459.664 2.520 20 0 JFADHN CCN(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cnccn1)c1ccsc1 ZINC001295398010 1063384864 /nfs/dbraw/zinc/38/48/64/1063384864.db2.gz AGWAZIFGIMJRTJ-OALUTQOASA-N 0 3 454.604 2.800 20 0 JFADHN CCN(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC(CC(=O)NC)CC1)c1ccco1 ZINC001295398013 1063384974 /nfs/dbraw/zinc/38/49/74/1063384974.db2.gz AHYVPKXBUJCCAY-FQEVSTJZSA-N 0 3 466.590 2.764 20 0 JFADHN C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291209808 1063385424 /nfs/dbraw/zinc/38/54/24/1063385424.db2.gz RNEQDUMCOLKGKF-DYXWJJEUSA-N 0 3 488.608 2.725 20 0 JFADHN CCN(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)OC)CC1)c1ccsc1 ZINC001295404612 1063391097 /nfs/dbraw/zinc/39/10/97/1063391097.db2.gz LLJRKAWRZSHIBB-HXUWFJFHSA-N 0 3 488.658 2.935 20 0 JFADHN CCN(CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(CNC(C)=O)CC1)c1ccco1 ZINC001295404977 1063391890 /nfs/dbraw/zinc/39/18/90/1063391890.db2.gz FFUWPQMNOWFSNX-SFTDATJTSA-N 0 3 458.607 2.811 20 0 JFADHN CCN(CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccco1 ZINC001295405223 1063393033 /nfs/dbraw/zinc/39/30/33/1063393033.db2.gz FVJFPTNRUAUVBP-FPOVZHCZSA-N 0 3 458.607 2.905 20 0 JFADHN CCN(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(N)=O)CC1)c1ccsc1 ZINC001295406478 1063396352 /nfs/dbraw/zinc/39/63/52/1063396352.db2.gz XKHCBQLUHUFOHI-OAQYLSRUSA-N 0 3 484.674 2.986 20 0 JFADHN CCN(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccco1 ZINC001295407709 1063399929 /nfs/dbraw/zinc/39/99/29/1063399929.db2.gz XOXVYFWFBBMZDI-RTWAWAEBSA-N 0 3 458.607 2.953 20 0 JFADHN CCN(CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001295408132 1063401262 /nfs/dbraw/zinc/40/12/62/1063401262.db2.gz ZDZXXWNYFCAPRG-UXHICEINSA-N 0 3 458.607 2.763 20 0 JFADHN COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)cc1 ZINC001295425701 1063438854 /nfs/dbraw/zinc/43/88/54/1063438854.db2.gz YWFOYMBQPINWJU-UHFFFAOYSA-N 0 3 457.596 2.828 20 0 JFADHN C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN2CCN(C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001291229786 1063482335 /nfs/dbraw/zinc/48/23/35/1063482335.db2.gz OFOIDIPLYNREMO-FUHWJXTLSA-N 0 3 467.540 2.522 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2Cc2ccnc(OCc3ccccc3)c2)CC1 ZINC001295480954 1063491472 /nfs/dbraw/zinc/49/14/72/1063491472.db2.gz QTAYGHPVZKXNDZ-UHFFFAOYSA-N 0 3 477.613 2.599 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)SC)CC1 ZINC001295482202 1063496823 /nfs/dbraw/zinc/49/68/23/1063496823.db2.gz GAJIPNZDNIUWCH-SFHVURJKSA-N 0 3 460.648 2.696 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CC2(C)C)CC1 ZINC001295482219 1063497915 /nfs/dbraw/zinc/49/79/15/1063497915.db2.gz GLHMYMMWHNRJMJ-HXUWFJFHSA-N 0 3 484.645 2.999 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CC2(C)C)CC1 ZINC001295482217 1063498013 /nfs/dbraw/zinc/49/80/13/1063498013.db2.gz GLHMYMMWHNRJMJ-FQEVSTJZSA-N 0 3 484.645 2.999 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCC[C@H]2OC)CC1 ZINC001295482360 1063500269 /nfs/dbraw/zinc/50/02/69/1063500269.db2.gz LLTBXGJVPPANKE-IFMALSPDSA-N 0 3 484.645 2.759 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2Cc2ccc(C)nc2)CC1 ZINC001295482479 1063501595 /nfs/dbraw/zinc/50/15/95/1063501595.db2.gz PLIPTEWALWIZOP-UHFFFAOYSA-N 0 3 461.614 2.996 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCc2ccccc2OC)CC1 ZINC001295482626 1063503435 /nfs/dbraw/zinc/50/34/35/1063503435.db2.gz VNAKAQUXEJLTEL-UHFFFAOYSA-N 0 3 477.613 2.582 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)c2ncc(C)s2)CC1 ZINC001295482619 1063503557 /nfs/dbraw/zinc/50/35/57/1063503557.db2.gz VJDNDJLTFQIXLH-GOSISDBHSA-N 0 3 482.658 2.899 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(O)(CC)CC)CC1 ZINC001295482989 1063505800 /nfs/dbraw/zinc/50/58/00/1063505800.db2.gz AIBOKIQPTVHZSD-UHFFFAOYSA-N 0 3 481.645 2.968 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ccc(Cl)cc2)CC1 ZINC001295483383 1063507145 /nfs/dbraw/zinc/50/71/45/1063507145.db2.gz DAYLBZLKTHVICH-IBGZPJMESA-N 0 3 491.036 2.505 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2CCOc2cccc(C)c2)CC1 ZINC001295483537 1063507931 /nfs/dbraw/zinc/50/79/31/1063507931.db2.gz GMHFFDIVMUMABL-UHFFFAOYSA-N 0 3 454.619 2.923 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCc2c(C)cccc2C)CC1 ZINC001295483856 1063509364 /nfs/dbraw/zinc/50/93/64/1063509364.db2.gz JNQCYMOVUUJEES-QFIPXVFZSA-N 0 3 468.646 2.632 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C)cc2C)CC1 ZINC001295484732 1063512552 /nfs/dbraw/zinc/51/25/52/1063512552.db2.gz QVLZIJJFDOZYGU-QHCPKHFHSA-N 0 3 468.646 2.828 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](OC)c2ccccc2)CC1 ZINC001295484715 1063512628 /nfs/dbraw/zinc/51/26/28/1063512628.db2.gz QPHPITYQUYWXBC-GOTSBHOMSA-N 0 3 484.645 2.898 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2sccc2C)CC1 ZINC001295485439 1063514499 /nfs/dbraw/zinc/51/44/99/1063514499.db2.gz WSPGBANWNIPEQR-IBGZPJMESA-N 0 3 460.648 2.581 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2cscc2C)CC1 ZINC001295490699 1063517966 /nfs/dbraw/zinc/51/79/66/1063517966.db2.gz FMWDILHPSCSJRO-UHFFFAOYSA-N 0 3 467.643 2.673 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2C[C@H](OC)C(C)(C)C)CC1 ZINC001295490686 1063518152 /nfs/dbraw/zinc/51/81/52/1063518152.db2.gz FARDLMIFVJVCEC-FQEVSTJZSA-N 0 3 476.691 2.982 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2CCc2ccc(F)cc2C)CC1 ZINC001295490767 1063518775 /nfs/dbraw/zinc/51/87/75/1063518775.db2.gz HPRUGVXHVXETGX-UHFFFAOYSA-N 0 3 456.610 2.911 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CC2(C)CCCC2)CC1 ZINC001295490974 1063520142 /nfs/dbraw/zinc/52/01/42/1063520142.db2.gz LHOMPZJKNMIGNG-UHFFFAOYSA-N 0 3 453.635 2.835 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CCCC2)CC1 ZINC001295490948 1063520204 /nfs/dbraw/zinc/52/02/04/1063520204.db2.gz KNHSQDMUNSFAHX-UHFFFAOYSA-N 0 3 489.064 2.818 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(OC)c2OC)CC1 ZINC001295491007 1063520543 /nfs/dbraw/zinc/52/05/43/1063520543.db2.gz MLIIFOMTITVFFK-UHFFFAOYSA-N 0 3 486.661 2.923 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2OCCC2(C)C)CC1 ZINC001295491165 1063521850 /nfs/dbraw/zinc/52/18/50/1063521850.db2.gz QEDKEPPWAZICNU-JOCHJYFZSA-N 0 3 486.636 2.814 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCCO2)CC1 ZINC001295491552 1063523242 /nfs/dbraw/zinc/52/32/42/1063523242.db2.gz UFUKECXYFKHEFG-QFIPXVFZSA-N 0 3 484.645 2.643 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001295491604 1063523735 /nfs/dbraw/zinc/52/37/35/1063523735.db2.gz VZAVEULNSYETQG-RBBKRZOGSA-N 0 3 472.609 2.995 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCCO2)CC1 ZINC001295491631 1063524427 /nfs/dbraw/zinc/52/44/27/1063524427.db2.gz WSUPXFVKZCAWKH-MQSCRBSSSA-N 0 3 490.693 2.756 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2Cc2nccc(C(F)F)n2)CC1 ZINC001295491925 1063525361 /nfs/dbraw/zinc/52/53/61/1063525361.db2.gz ZZFXKTVQOQNCQK-UHFFFAOYSA-N 0 3 490.603 2.777 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2Cc2nc(C)cs2)CC1 ZINC001295491922 1063525410 /nfs/dbraw/zinc/52/54/10/1063525410.db2.gz ZVVNHKUPPAOXKV-UHFFFAOYSA-N 0 3 497.669 2.969 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCc2cccc(F)c2F)CC1 ZINC001295493302 1063527429 /nfs/dbraw/zinc/52/74/29/1063527429.db2.gz HFHPQEGJEHAUOR-HXUWFJFHSA-N 0 3 476.572 2.641 20 0 JFADHN C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001291275765 1063584514 /nfs/dbraw/zinc/58/45/14/1063584514.db2.gz YVOGMUOZLLWWMZ-GGAORHGYSA-N 0 3 468.646 2.621 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001295562898 1063596003 /nfs/dbraw/zinc/59/60/03/1063596003.db2.gz IMTCMMOBJTXWEL-HSALFYBXSA-N 0 3 492.665 2.765 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001295562896 1063596031 /nfs/dbraw/zinc/59/60/31/1063596031.db2.gz IMTCMMOBJTXWEL-AABGKKOBSA-N 0 3 492.665 2.765 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001295564231 1063597406 /nfs/dbraw/zinc/59/74/06/1063597406.db2.gz SDJKCJWGZGDCNM-YADHBBJMSA-N 0 3 488.702 2.854 20 0 JFADHN C[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC001291285322 1063626047 /nfs/dbraw/zinc/62/60/47/1063626047.db2.gz OXSCKSAYFJHBRA-DXBBTUNJSA-N 0 3 490.693 2.755 20 0 JFADHN CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001295595931 1063640848 /nfs/dbraw/zinc/64/08/48/1063640848.db2.gz VZQWKQRONJCHQD-RBBKRZOGSA-N 0 3 472.609 2.890 20 0 JFADHN CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C ZINC001295603686 1063648158 /nfs/dbraw/zinc/64/81/58/1063648158.db2.gz MWHPPVXDKDOFKD-LJQANCHMSA-N 0 3 463.648 2.803 20 0 JFADHN C[C@@H]1CN(CCCn2c(CC(C)(C)C)nnc2N2CCCN(Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC001291292565 1063675981 /nfs/dbraw/zinc/67/59/81/1063675981.db2.gz GHLFFOPATOYWEZ-SZPZYZBQSA-N 0 3 486.709 2.812 20 0 JFADHN C[C@H]1COCCN1CCn1c(CC(C)(C)C)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC001291308609 1063731369 /nfs/dbraw/zinc/73/13/69/1063731369.db2.gz PVLCKUXLJMNFFA-DEOSSOPVSA-N 0 3 497.732 2.841 20 0 JFADHN C[C@H]1CSCCN1c1nnc(Cc2ccsc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291314328 1063746685 /nfs/dbraw/zinc/74/66/85/1063746685.db2.gz ZAYLSJPZSSATPE-PKOBYXMFSA-N 0 3 462.689 2.815 20 0 JFADHN CCN(CCCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCC(C)CC2)CC1)S(C)(=O)=O ZINC001295811406 1063810235 /nfs/dbraw/zinc/81/02/35/1063810235.db2.gz VEQMJAMZDIATHO-LZBANZJXSA-N 0 3 496.722 2.892 20 0 JFADHN CCN(CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)OC)CCC(F)(F)F ZINC001295823880 1063830357 /nfs/dbraw/zinc/83/03/57/1063830357.db2.gz WATNQLONKVMEJS-UHFFFAOYSA-N 0 3 477.557 2.819 20 0 JFADHN CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001291344969 1063835796 /nfs/dbraw/zinc/83/57/96/1063835796.db2.gz NTMGBXBYIBASCR-NFBKMPQASA-N 0 3 485.652 2.529 20 0 JFADHN CCC(=O)N[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CCN2CC=CCC2)C1 ZINC001291345638 1063840427 /nfs/dbraw/zinc/84/04/27/1063840427.db2.gz AYWWCVQGXUJMLX-OAQYLSRUSA-N 0 3 452.603 2.657 20 0 JFADHN CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N(C)[C@@H](C)C1)CCC(F)(F)F ZINC001295829628 1063842253 /nfs/dbraw/zinc/84/22/53/1063842253.db2.gz JALLTETYYSVROT-AWEZNQCLSA-N 0 3 473.931 2.935 20 0 JFADHN CCN(CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001295834112 1063850148 /nfs/dbraw/zinc/85/01/48/1063850148.db2.gz QHVWBKLEBYSTAT-LJQANCHMSA-N 0 3 477.631 2.808 20 0 JFADHN CCN(CCn1c(-c2ccccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)CCC(F)(F)F ZINC001295835492 1063852044 /nfs/dbraw/zinc/85/20/44/1063852044.db2.gz FLSGOJZFJXTDMG-GOSISDBHSA-N 0 3 467.540 2.919 20 0 JFADHN CCN(CCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1)CCC(F)(F)F ZINC001295836168 1063852777 /nfs/dbraw/zinc/85/27/77/1063852777.db2.gz OYSAPXXWNUDOCR-HNNXBMFYSA-N 0 3 469.487 2.572 20 0 JFADHN CCN(CCn1c(-c2cccn2C)nnc1N1CCC[C@H](NC(C)=O)C1)CCC(F)(F)F ZINC001295837192 1063854565 /nfs/dbraw/zinc/85/45/65/1063854565.db2.gz JCLOAWCKEBUUBA-KRWDZBQOSA-N 0 3 455.529 2.663 20 0 JFADHN CCN(CCn1c(-c2cccnc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)CCC(F)(F)F ZINC001295838640 1063857161 /nfs/dbraw/zinc/85/71/61/1063857161.db2.gz KXAAZCVSXONHAN-RTBURBONSA-N 0 3 468.524 2.999 20 0 JFADHN CCN(CCn1c(-c2cccnc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1)CCC(F)(F)F ZINC001295838637 1063857269 /nfs/dbraw/zinc/85/72/69/1063857269.db2.gz KXAAZCVSXONHAN-MOPGFXCFSA-N 0 3 468.524 2.999 20 0 JFADHN CCN(CCn1c(-c2ccc[nH]2)nnc1N1CCC(N(C)C(C)=O)CC1)CCC(F)(F)F ZINC001295839103 1063857991 /nfs/dbraw/zinc/85/79/91/1063857991.db2.gz QUTKNPMDTMDBFL-UHFFFAOYSA-N 0 3 455.529 2.995 20 0 JFADHN CCN(CCn1c(-c2cnccn2)nnc1N1CCN(C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001295841551 1063861092 /nfs/dbraw/zinc/86/10/92/1063861092.db2.gz JHIYEOYHEJRDNP-UHFFFAOYSA-N 0 3 458.611 2.913 20 0 JFADHN CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001291356278 1063862825 /nfs/dbraw/zinc/86/28/25/1063862825.db2.gz VCAKBBKIMSXYID-UHFFFAOYSA-N 0 3 459.664 2.814 20 0 JFADHN CC[C@@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001291358584 1063865872 /nfs/dbraw/zinc/86/58/72/1063865872.db2.gz PCLKQIMEVDMRBM-YIXXDRMTSA-N 0 3 497.688 2.913 20 0 JFADHN CC[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001291358581 1063865900 /nfs/dbraw/zinc/86/59/00/1063865900.db2.gz PCLKQIMEVDMRBM-HOFKKMOUSA-N 0 3 497.688 2.913 20 0 JFADHN CCN(CCn1c(Cc2ccc(F)cc2)nnc1N1CCN2CCOC[C@H]2C1)CCC(F)(F)F ZINC001295854135 1063882072 /nfs/dbraw/zinc/88/20/72/1063882072.db2.gz DECIEAYSINSAEE-HXUWFJFHSA-N 0 3 484.542 2.803 20 0 JFADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2ccccc2)C1)C(C)C ZINC001295858500 1063889018 /nfs/dbraw/zinc/88/90/18/1063889018.db2.gz ZBXVAZBRVHCFMS-GBXCKJPGSA-N 0 3 475.659 2.663 20 0 JFADHN CCN(CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC001295867556 1063902774 /nfs/dbraw/zinc/90/27/74/1063902774.db2.gz VIISKUVMIPHRBQ-MOPGFXCFSA-N 0 3 477.654 2.576 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc(Cc2ccncc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC001295884626 1063931077 /nfs/dbraw/zinc/93/10/77/1063931077.db2.gz ABWIFEBHWBEGSJ-XXBNENTESA-N 0 3 462.664 2.645 20 0 JFADHN CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001291389174 1063938955 /nfs/dbraw/zinc/93/89/55/1063938955.db2.gz IAEDSGVHOXUJPV-DYLHXGEVSA-N 0 3 487.645 2.918 20 0 JFADHN CC[C@@H](C)[C@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001291403357 1063968609 /nfs/dbraw/zinc/96/86/09/1063968609.db2.gz JZFRESCWWXOAIE-AJTFRIOCSA-N 0 3 498.672 2.707 20 0 JFADHN CC[C@@H](C)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001291434713 1064015390 /nfs/dbraw/zinc/01/53/90/1064015390.db2.gz RZPHXKNGNXTAIL-RTWAWAEBSA-N 0 3 469.682 2.713 20 0 JFADHN CC[C@@H](C)c1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CCCN1CCN(CC)CC1 ZINC001291435256 1064016018 /nfs/dbraw/zinc/01/60/18/1064016018.db2.gz ZXVKRTZHCXXQLO-FGZHOGPDSA-N 0 3 469.682 2.714 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCC=CO2)C[C@@H]1C ZINC001295975440 1064019182 /nfs/dbraw/zinc/01/91/82/1064019182.db2.gz DECLCTJGRNCCOW-IRFCIJBXSA-N 0 3 488.658 2.807 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN2CCOCC2)C[C@H]1C ZINC001295975473 1064019223 /nfs/dbraw/zinc/01/92/23/1064019223.db2.gz DJYREEHEWZOTMJ-UXHICEINSA-N 0 3 472.634 2.604 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN2CCOCC2)C[C@@H]1C ZINC001295975471 1064019283 /nfs/dbraw/zinc/01/92/83/1064019283.db2.gz DJYREEHEWZOTMJ-PMACEKPBSA-N 0 3 472.634 2.604 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N(C)c2ccccc2)C[C@@H]1C ZINC001295975490 1064019816 /nfs/dbraw/zinc/01/98/16/1064019816.db2.gz CKKRRYQYMUPKNI-HKBOAZHASA-N 0 3 453.635 2.958 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N(C)c2ccccc2)C[C@H]1C ZINC001295975492 1064019836 /nfs/dbraw/zinc/01/98/36/1064019836.db2.gz CKKRRYQYMUPKNI-NJYVYQBISA-N 0 3 453.635 2.958 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(C)CN(C)C2=O)C[C@@H]1C ZINC001295975931 1064020822 /nfs/dbraw/zinc/02/08/22/1064020822.db2.gz HAGSAHQVJDQHNK-PBPSECFOSA-N 0 3 462.545 2.944 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)C[C@H]1C ZINC001295976067 1064021108 /nfs/dbraw/zinc/02/11/08/1064021108.db2.gz CFEHPRSQROAWOK-HSALFYBXSA-N 0 3 488.608 2.725 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCC(F)(F)F)C[C@@H]1C ZINC001295976221 1064021682 /nfs/dbraw/zinc/02/16/82/1064021682.db2.gz GRPTZJQMUHAZQP-DLBZAZTESA-N 0 3 495.550 2.745 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2cccc(F)c2)N(C)C)C[C@H]1C ZINC001295976267 1064022171 /nfs/dbraw/zinc/02/21/71/1064022171.db2.gz HFBQOMJOAKEVTP-XQBPLPMBSA-N 0 3 471.625 2.875 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001295976224 1064022185 /nfs/dbraw/zinc/02/21/85/1064022185.db2.gz GRPTZJQMUHAZQP-SJORKVTESA-N 0 3 495.550 2.745 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2c(C)nn(C)c2C)C[C@H]1C ZINC001295977250 1064022981 /nfs/dbraw/zinc/02/29/81/1064022981.db2.gz NXVULBPQXDITLG-IAGOWNOFSA-N 0 3 485.658 2.666 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001295977309 1064023024 /nfs/dbraw/zinc/02/30/24/1064023024.db2.gz KDKZQANHOCOHOM-IAGOWNOFSA-N 0 3 480.548 2.622 20 0 JFADHN CC[C@@H](C)c1nnc(N(C)CCN2CCOCC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001291457310 1064023309 /nfs/dbraw/zinc/02/33/09/1064023309.db2.gz IWPROCPGDVXSSU-VWNXMTODSA-N 0 3 470.662 2.851 20 0 JFADHN CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1C[C@H](C)N1CCOCC1 ZINC001291458467 1064024794 /nfs/dbraw/zinc/02/47/94/1064024794.db2.gz HXAFJFWUZCHVDL-BESBDSHLSA-N 0 3 472.682 2.765 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CCOCc2ccc(OC)cc2)C[C@H]1C ZINC001295978797 1064026438 /nfs/dbraw/zinc/02/64/38/1064026438.db2.gz NOKONQYLABHLDF-MOPGFXCFSA-N 0 3 458.607 2.561 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3cc(C)ccc23)C[C@@H]1C ZINC001295980711 1064031144 /nfs/dbraw/zinc/03/11/44/1064031144.db2.gz PRZBTTOQBBNWPV-GBESFXJTSA-N 0 3 487.674 2.840 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)c2cccc(OC)c2)C[C@@H]1C ZINC001295980891 1064031427 /nfs/dbraw/zinc/03/14/27/1064031427.db2.gz PYSKXPWXWOBAQX-GBESFXJTSA-N 0 3 492.690 2.794 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2C[C@@](C)(O)c2ccsc2)C[C@H]1C ZINC001295981283 1064031710 /nfs/dbraw/zinc/03/17/10/1064031710.db2.gz RATJUFVLRIMZHR-BZDHPDOMSA-N 0 3 451.637 2.890 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCc1nccs1 ZINC001291470920 1064032437 /nfs/dbraw/zinc/03/24/37/1064032437.db2.gz XDONRGYMLPMNEU-CMKODMSKSA-N 0 3 459.664 2.870 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC1(C)CCOCC1 ZINC001291471091 1064033460 /nfs/dbraw/zinc/03/34/60/1064033460.db2.gz YWPJVZTVBLRQJC-JAXLGGSGSA-N 0 3 460.667 2.987 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2cc(C)oc2C)C[C@H]1C ZINC001295982244 1064034279 /nfs/dbraw/zinc/03/42/79/1064034279.db2.gz WWSWNOCXGBVQTF-KCYKTTMJSA-N 0 3 458.607 2.551 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2cnn(C)n2)C[C@@H]1C ZINC001295982285 1064034640 /nfs/dbraw/zinc/03/46/40/1064034640.db2.gz DCELPSBGNOMLJV-ROUUACIJSA-N 0 3 468.606 2.643 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2ccccc2F)C[C@H]1C ZINC001295982474 1064035718 /nfs/dbraw/zinc/03/57/18/1064035718.db2.gz TUXCMZFNHMZBPW-SQNIBIBYSA-N 0 3 466.627 2.579 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCO2)C[C@H]1C ZINC001295982799 1064036676 /nfs/dbraw/zinc/03/66/76/1064036676.db2.gz YJLJMJAPULDHCT-UWVAXJGDSA-N 0 3 461.010 2.959 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001295983174 1064038380 /nfs/dbraw/zinc/03/83/80/1064038380.db2.gz YOMJFHCIJOADGG-ZRBLBEILSA-N 0 3 496.704 2.546 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2Cc2nncn2-c2ccccc2)C[C@H]1C ZINC001295983541 1064039469 /nfs/dbraw/zinc/03/94/69/1064039469.db2.gz WYZDKVPOABQXJM-HSALFYBXSA-N 0 3 468.606 2.550 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)C[C@@H]1C ZINC001295984097 1064040701 /nfs/dbraw/zinc/04/07/01/1064040701.db2.gz LCOFTOFIMHDHFX-DLBZAZTESA-N 0 3 458.998 2.692 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2SC)C[C@H]1C ZINC001295984246 1064041923 /nfs/dbraw/zinc/04/19/23/1064041923.db2.gz YITHLWMBGBKEHH-SQNIBIBYSA-N 0 3 480.704 2.886 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cc(C)nn2C)C[C@H]1C ZINC001295987168 1064042867 /nfs/dbraw/zinc/04/28/67/1064042867.db2.gz YXAMCTFPTYBICI-QZTJIDSGSA-N 0 3 453.591 2.971 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCNC(=O)c2cccc(OC)c2)C[C@@H]1C ZINC001295989547 1064044455 /nfs/dbraw/zinc/04/44/55/1064044455.db2.gz BNQMJPDCIGJTSF-RBUKOAKNSA-N 0 3 463.586 2.698 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccc(C)c(F)c2)C[C@H]1C ZINC001295992678 1064047339 /nfs/dbraw/zinc/04/73/39/1064047339.db2.gz FCLZWIRBNWNIKD-QZTJIDSGSA-N 0 3 466.565 2.532 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001295993217 1064048381 /nfs/dbraw/zinc/04/83/81/1064048381.db2.gz GYLMURCTDTVQHS-HBFSDRIKSA-N 0 3 472.638 2.997 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001291497441 1064050027 /nfs/dbraw/zinc/05/00/27/1064050027.db2.gz XKAKFQNBDVABSI-DYESRHJHSA-N 0 3 485.608 2.829 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccccc2OCCOC)C[C@@H]1C ZINC001295994072 1064050248 /nfs/dbraw/zinc/05/02/48/1064050248.db2.gz IULLLQRCFDVLGN-RBUKOAKNSA-N 0 3 451.575 2.728 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCCCn2cc(Br)cn2)C[C@@H]1C ZINC001295994746 1064050663 /nfs/dbraw/zinc/05/06/63/1064050663.db2.gz JKARCAZWKWBMAT-BQFCYCMXSA-N 0 3 493.454 2.588 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccc3Br)n2CCCn2cnnn2)C[C@H]1C ZINC001295995188 1064051174 /nfs/dbraw/zinc/05/11/74/1064051174.db2.gz XPZYOUDDWQOGLR-HZPDHXFCSA-N 0 3 474.411 2.703 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC001295996168 1064052278 /nfs/dbraw/zinc/05/22/78/1064052278.db2.gz MPDXMUYSAGJQJW-IRXDYDNUSA-N 0 3 469.590 2.672 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@H]1C ZINC001295997741 1064054178 /nfs/dbraw/zinc/05/41/78/1064054178.db2.gz RWGCZHBWZTZPIL-GIYDNNGJSA-N 0 3 475.588 2.729 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CCc1cccc(C(N)=O)c1 ZINC001291503472 1064054498 /nfs/dbraw/zinc/05/44/98/1064054498.db2.gz ZDKPKKFLMOCUPA-LJQANCHMSA-N 0 3 454.619 2.682 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccc(COCCOC)cc2)C[C@H]1C ZINC001295998208 1064055153 /nfs/dbraw/zinc/05/51/53/1064055153.db2.gz TYVOJAYHSXMIKY-WOJBJXKFSA-N 0 3 465.602 2.865 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001295999510 1064056584 /nfs/dbraw/zinc/05/65/84/1064056584.db2.gz BGLMNKSCNVETIZ-QZTJIDSGSA-N 0 3 451.550 2.961 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CCCNC(=O)c2cccc(O)c2)C[C@H]1C ZINC001296000815 1064057106 /nfs/dbraw/zinc/05/71/06/1064057106.db2.gz FAHNZOCKDNNYPI-WOJBJXKFSA-N 0 3 477.613 2.709 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CC(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001296001467 1064057591 /nfs/dbraw/zinc/05/75/91/1064057591.db2.gz IAFUIZRYGXCVGQ-FCHUYYIVSA-N 0 3 467.662 2.744 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccc3OC)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001296003316 1064058381 /nfs/dbraw/zinc/05/83/81/1064058381.db2.gz SUXYLFBYIHHJJC-LEWJYISDSA-N 0 3 470.662 2.907 20 0 JFADHN CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1Cc1cccc(C(=O)NC)c1 ZINC001291509494 1064060588 /nfs/dbraw/zinc/06/05/88/1064060588.db2.gz FCMHBFNAGPPPSP-REWPJTCUSA-N 0 3 467.662 2.804 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001296007633 1064061293 /nfs/dbraw/zinc/06/12/93/1064061293.db2.gz FILVQVXZZJCZOS-OALUTQOASA-N 0 3 466.634 2.598 20 0 JFADHN CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCNC(=O)c1cccc(OC)c1 ZINC001291510196 1064061621 /nfs/dbraw/zinc/06/16/21/1064061621.db2.gz QUEVKMCMPWBFOY-JTHBVZDNSA-N 0 3 497.688 2.835 20 0 JFADHN CC[C@@H](C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCNC(=O)c1cccc(OC)c1 ZINC001291510193 1064061659 /nfs/dbraw/zinc/06/16/59/1064061659.db2.gz QUEVKMCMPWBFOY-FYYLOGMGSA-N 0 3 497.688 2.835 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)C2CC2)C[C@@H]1C ZINC001296008828 1064063108 /nfs/dbraw/zinc/06/31/08/1064063108.db2.gz BPOZYDZWJKWIQU-VQTJNVASSA-N 0 3 454.619 2.919 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H]1C ZINC001296008855 1064063540 /nfs/dbraw/zinc/06/35/40/1064063540.db2.gz BUHCXTQUJKOPIL-UPUUWEMXSA-N 0 3 457.619 2.933 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@H]1C ZINC001296009313 1064063840 /nfs/dbraw/zinc/06/38/40/1064063840.db2.gz JRJJUDHCHHTXOL-FUHIMQAGSA-N 0 3 459.664 2.811 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001296009476 1064064778 /nfs/dbraw/zinc/06/47/78/1064064778.db2.gz GSINKCPVGOMQQV-LEWJYISDSA-N 0 3 492.690 2.721 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[C@@H]2COCCO2)C[C@H]1C ZINC001296009567 1064065417 /nfs/dbraw/zinc/06/54/17/1064065417.db2.gz LNYLBQVIKDUMRK-ZRCGQRJVSA-N 0 3 457.619 2.796 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCOC[C@@H]2C)C[C@H]1C ZINC001296009759 1064066368 /nfs/dbraw/zinc/06/63/68/1064066368.db2.gz MXAZYXZPKWPDPF-FSSWDIPSSA-N 0 3 470.662 2.712 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CC2(C(N)=O)CCOCC2)C[C@H]1C ZINC001296009915 1064066925 /nfs/dbraw/zinc/06/69/25/1064066925.db2.gz JEKZYPCQEDWJEN-RTWAWAEBSA-N 0 3 484.645 2.675 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001296010005 1064067551 /nfs/dbraw/zinc/06/75/51/1064067551.db2.gz JQVQLAADWZVIHE-PMACEKPBSA-N 0 3 474.654 2.973 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCOCC2)C[C@H]1C ZINC001296010167 1064068153 /nfs/dbraw/zinc/06/81/53/1064068153.db2.gz PKZCTSCCBMFJFG-WOJBJXKFSA-N 0 3 457.619 2.532 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C ZINC001296010830 1064069585 /nfs/dbraw/zinc/06/95/85/1064069585.db2.gz MJNHCLWDAFNKMR-RBUKOAKNSA-N 0 3 468.577 2.971 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CC3CC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C[C@@H]1C ZINC001296011247 1064070661 /nfs/dbraw/zinc/07/06/61/1064070661.db2.gz UNQAELYSLMEFDD-LNLFQRSKSA-N 0 3 458.573 2.803 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2cccs2)C[C@H]1C ZINC001296012575 1064073565 /nfs/dbraw/zinc/07/35/65/1064073565.db2.gz UAWAYJQVWWWMFD-RTBURBONSA-N 0 3 470.647 2.550 20 0 JFADHN CCN(CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)S(C)(=O)=O ZINC001296015311 1064077719 /nfs/dbraw/zinc/07/77/19/1064077719.db2.gz RUMUVZAVVYUVCX-XRXFAXGQSA-N 0 3 498.738 2.787 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2Cc2conc2COC)C[C@H]1C ZINC001296016991 1064078380 /nfs/dbraw/zinc/07/83/80/1064078380.db2.gz WNLYRBDTIFYIID-QZTJIDSGSA-N 0 3 470.574 2.967 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1ccnc(SC)c1 ZINC001291578571 1064103620 /nfs/dbraw/zinc/10/36/20/1064103620.db2.gz FFWHRDAYPLFQEY-MJGOQNOKSA-N 0 3 457.648 2.700 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1ccc(NC(C)=O)cc1 ZINC001291579680 1064106618 /nfs/dbraw/zinc/10/66/18/1064106618.db2.gz KHYRKLLMHVTAEZ-AVRDEDQJSA-N 0 3 467.618 2.541 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001291580712 1064109182 /nfs/dbraw/zinc/10/91/82/1064109182.db2.gz ASCJZFPBPFVXPZ-IBGZPJMESA-N 0 3 491.681 2.839 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCC(=O)Nc1ccccc1 ZINC001291580802 1064109393 /nfs/dbraw/zinc/10/93/93/1064109393.db2.gz BHMCTWDFXYXSJT-FQEVSTJZSA-N 0 3 467.618 2.565 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1ccc(N(C)C)cc1 ZINC001291582252 1064113618 /nfs/dbraw/zinc/11/36/18/1064113618.db2.gz GZXBIGCGPYBWQK-OAQYLSRUSA-N 0 3 467.662 2.845 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1CCc1ccc2c(c1)OCCO2 ZINC001291583057 1064115494 /nfs/dbraw/zinc/11/54/94/1064115494.db2.gz PGAPYGXMPFUAJD-HXUWFJFHSA-N 0 3 484.645 2.796 20 0 JFADHN CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC001296054416 1064115861 /nfs/dbraw/zinc/11/58/61/1064115861.db2.gz AVIVJUXCKKSDIU-KSEOMHKRSA-N 0 3 470.618 2.872 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)COC)CC2)n1C[C@@H](c1ccccc1OC)N1CCCC1 ZINC001291583244 1064116329 /nfs/dbraw/zinc/11/63/29/1064116329.db2.gz QHTXQOVGAHTWIU-UNMCSNQZSA-N 0 3 484.645 2.932 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291590461 1064123938 /nfs/dbraw/zinc/12/39/38/1064123938.db2.gz XEDHZCDLYAZQGM-UXHICEINSA-N 0 3 491.681 2.791 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291590463 1064123956 /nfs/dbraw/zinc/12/39/56/1064123956.db2.gz XEDHZCDLYAZQGM-WOJBJXKFSA-N 0 3 491.681 2.791 20 0 JFADHN CCN1CCC[C@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O ZINC001296060412 1064125319 /nfs/dbraw/zinc/12/53/19/1064125319.db2.gz ARZQRFGFDBUJKL-SFHVURJKSA-N 0 3 458.632 2.792 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001291594657 1064130785 /nfs/dbraw/zinc/13/07/85/1064130785.db2.gz IPSXJRRVDSQKDC-OTWHNJEPSA-N 0 3 459.605 2.890 20 0 JFADHN CCN(C(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001296066440 1064132071 /nfs/dbraw/zinc/13/20/71/1064132071.db2.gz XZHNLGOCCKARNO-QFIPXVFZSA-N 0 3 457.596 2.681 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001291598757 1064133798 /nfs/dbraw/zinc/13/37/98/1064133798.db2.gz CTCDAPQKAGIESS-JAXLGGSGSA-N 0 3 454.619 2.750 20 0 JFADHN CCN1CCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001296075144 1064142709 /nfs/dbraw/zinc/14/27/09/1064142709.db2.gz NKSXLJTZEFCGAE-KSZLIROESA-N 0 3 473.540 2.834 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C)C1 ZINC001296080575 1064147597 /nfs/dbraw/zinc/14/75/97/1064147597.db2.gz MTGPNYKJLPWPGS-FXAWDEMLSA-N 0 3 461.010 2.961 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCc1cccc(C(N)=O)c1 ZINC001291621867 1064162402 /nfs/dbraw/zinc/16/24/02/1064162402.db2.gz PZDKPSHMYYMIIN-MOPGFXCFSA-N 0 3 454.619 2.823 20 0 JFADHN CCN1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)CC1=O ZINC001296096322 1064170070 /nfs/dbraw/zinc/17/00/70/1064170070.db2.gz NOWCSTAXJDOJHC-JOCHJYFZSA-N 0 3 468.646 2.925 20 0 JFADHN CCN1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1=O ZINC001296108699 1064187249 /nfs/dbraw/zinc/18/72/49/1064187249.db2.gz LWSIRLVCMBVMPM-OAQYLSRUSA-N 0 3 451.575 2.643 20 0 JFADHN CCN1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1=O ZINC001296111897 1064192676 /nfs/dbraw/zinc/19/26/76/1064192676.db2.gz GLAYVTYOGWSAJD-QHCPKHFHSA-N 0 3 461.614 2.934 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 ZINC001291644322 1064197839 /nfs/dbraw/zinc/19/78/39/1064197839.db2.gz OBCWXWCEEVVUAO-DENIHFKCSA-N 0 3 490.674 2.719 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2CCOC[C@H]2C)CC1 ZINC001296119856 1064206669 /nfs/dbraw/zinc/20/66/69/1064206669.db2.gz BQUJEYTZECZUPF-ZWKOTPCHSA-N 0 3 477.451 2.959 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001296119866 1064206758 /nfs/dbraw/zinc/20/67/58/1064206758.db2.gz BULMQOZRZHGUJV-IYWMVGAKSA-N 0 3 472.625 2.756 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(F)ccc3Br)nnc2N(C)CCOC)CC1 ZINC001296120054 1064207447 /nfs/dbraw/zinc/20/74/47/1064207447.db2.gz DFZJIOVKQTVGHR-INIZCTEOSA-N 0 3 483.430 2.955 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001296120118 1064208347 /nfs/dbraw/zinc/20/83/47/1064208347.db2.gz FDPFJNAHVSPNBC-UXHICEINSA-N 0 3 486.661 2.992 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@H](OC)C2)CC1 ZINC001296120558 1064210664 /nfs/dbraw/zinc/21/06/64/1064210664.db2.gz JLZQRDAGVPVMRL-IPJJNNNSSA-N 0 3 460.598 2.808 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296121492 1064212658 /nfs/dbraw/zinc/21/26/58/1064212658.db2.gz PAIKCJQRIRTFAN-SFHVURJKSA-N 0 3 488.587 2.942 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCN(c3cccc(OC)c3)CC2)CC1 ZINC001296121614 1064213255 /nfs/dbraw/zinc/21/32/55/1064213255.db2.gz QQJRJLDHZNTIRJ-OAQYLSRUSA-N 0 3 455.651 2.763 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)c3cc(C)oc3C)CC2)CC1 ZINC001296122091 1064214172 /nfs/dbraw/zinc/21/41/72/1064214172.db2.gz SPGXVMQCTWSURG-LJQANCHMSA-N 0 3 471.650 2.600 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296122264 1064214268 /nfs/dbraw/zinc/21/42/68/1064214268.db2.gz UXXYOSXIORRAMS-VQTJNVASSA-N 0 3 463.671 2.873 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCC(=O)NC)CC1 ZINC001296123902 1064216561 /nfs/dbraw/zinc/21/65/61/1064216561.db2.gz DLKMIIYYEJZFSO-MRXNPFEDSA-N 0 3 482.460 2.850 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2cc(OC)cc(OC)c2)CC1 ZINC001296124456 1064217000 /nfs/dbraw/zinc/21/70/00/1064217000.db2.gz HLFGKTCPLZKQHB-HXUWFJFHSA-N 0 3 481.645 2.963 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[C@@H](OC)C2)CC1 ZINC001296124789 1064217583 /nfs/dbraw/zinc/21/75/83/1064217583.db2.gz ITHNUTRDLMBZQU-PKOBYXMFSA-N 0 3 463.026 2.858 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](CCOC)C2)CC1 ZINC001296126462 1064220849 /nfs/dbraw/zinc/22/08/49/1064220849.db2.gz QKPMUZBDWAGCID-MOPGFXCFSA-N 0 3 462.042 2.882 20 0 JFADHN 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CCN1CCN([C@@H]2CCN(c3nnc(Cc4ccccc4OC)n3CC(C)(C)OC)C2)CC1 ZINC001296183161 1064326642 /nfs/dbraw/zinc/32/66/42/1064326642.db2.gz YWFIPYUAPBALHC-OAQYLSRUSA-N 0 3 456.635 2.519 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(C)nnc2N(CCO)Cc2ccc(F)c(Br)c2)CC1 ZINC001296184052 1064330351 /nfs/dbraw/zinc/33/03/51/1064330351.db2.gz IPUMOYBSYGFYCO-QGZVFWFLSA-N 0 3 497.457 2.761 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCCN(C(=O)OCC(C)C)CC2)CC1 ZINC001296184422 1064331817 /nfs/dbraw/zinc/33/18/17/1064331817.db2.gz KWENHIQGXBWDPM-JOCHJYFZSA-N 0 3 477.698 2.980 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296192106 1064344013 /nfs/dbraw/zinc/34/40/13/1064344013.db2.gz MDKBGJNUNACYHJ-ATIYNZHBSA-N 0 3 469.678 2.933 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001296192904 1064348160 /nfs/dbraw/zinc/34/81/60/1064348160.db2.gz GWEOMNSFJBJSAC-KXEAFHOWSA-N 0 3 462.683 2.902 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C3CC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296193160 1064348976 /nfs/dbraw/zinc/34/89/76/1064348976.db2.gz HQCRARZZSUJHMY-PZJWPPBQSA-N 0 3 475.682 2.923 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296193709 1064352676 /nfs/dbraw/zinc/35/26/76/1064352676.db2.gz PGBAQTUBISQRTO-BWKNWUBXSA-N 0 3 462.683 2.525 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296193767 1064353362 /nfs/dbraw/zinc/35/33/62/1064353362.db2.gz QCZHXQSVHGJWQN-PXDATVDWSA-N 0 3 455.651 2.543 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@H]2CCCc3c2cnn3C)CC1 ZINC001296194352 1064355350 /nfs/dbraw/zinc/35/53/50/1064355350.db2.gz RKYKWJWEYVKLLC-UNMCSNQZSA-N 0 3 456.683 2.998 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@@H]2CCCc3c2cnn3C)CC1 ZINC001296194350 1064355576 /nfs/dbraw/zinc/35/55/76/1064355576.db2.gz RKYKWJWEYVKLLC-RBBKRZOGSA-N 0 3 456.683 2.998 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](COC(C)C)C2)CC1 ZINC001296194424 1064356108 /nfs/dbraw/zinc/35/61/08/1064356108.db2.gz SGTTXFKQCDTGDN-YADHBBJMSA-N 0 3 464.699 2.771 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CC[C@@H](Cc3cnn(C)c3)C2)CC1 ZINC001296195043 1064359079 /nfs/dbraw/zinc/35/90/79/1064359079.db2.gz UUXXRGFCLBJBNJ-YADHBBJMSA-N 0 3 456.683 2.553 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296195655 1064362645 /nfs/dbraw/zinc/36/26/45/1064362645.db2.gz WXOUFXQWNGEUDP-GBESFXJTSA-N 0 3 461.680 2.521 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296195873 1064364409 /nfs/dbraw/zinc/36/44/09/1064364409.db2.gz RIMDIMVJLVGEMM-QFQXNSOFSA-N 0 3 486.709 2.809 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296197005 1064371968 /nfs/dbraw/zinc/37/19/68/1064371968.db2.gz WPMCWIFZCMVKQF-REWPJTCUSA-N 0 3 470.662 2.973 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(N3CCC(C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296197383 1064373493 /nfs/dbraw/zinc/37/34/93/1064373493.db2.gz XQHZYCPADLOCHM-RCZVLFRGSA-N 0 3 462.683 2.829 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(N3CCC(C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296197385 1064373531 /nfs/dbraw/zinc/37/35/31/1064373531.db2.gz XQHZYCPADLOCHM-WIOPSUGQSA-N 0 3 462.683 2.829 20 0 JFADHN CCN1CCN(CCCn2c(C)nnc2N2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)CC1 ZINC001296202542 1064377936 /nfs/dbraw/zinc/37/79/36/1064377936.db2.gz FEGQYIVBVNBBTG-NRFANRHFSA-N 0 3 471.650 2.712 20 0 JFADHN CCN1CCN(CCCn2c([C@H]3CCCOC3)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001296203904 1064384102 /nfs/dbraw/zinc/38/41/02/1064384102.db2.gz CZXSCDDNWZEKOF-SFTDATJTSA-N 0 3 450.697 2.922 20 0 JFADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N(C)Cc2cccc(C(N)=O)c2)CC1 ZINC001296204166 1064385024 /nfs/dbraw/zinc/38/50/24/1064385024.db2.gz HJVNGZYLDSBXJI-UHFFFAOYSA-N 0 3 455.651 2.630 20 0 JFADHN CCN1CCN(CCCn2c(C(C)C)nnc2N(C)Cc2cnn(-c3ccccc3)n2)CC1 ZINC001296204639 1064387159 /nfs/dbraw/zinc/38/71/59/1064387159.db2.gz YGODQUMRSGVFPA-UHFFFAOYSA-N 0 3 451.623 2.646 20 0 JFADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(C(N)=O)cc2)CC1 ZINC001296204809 1064387808 /nfs/dbraw/zinc/38/78/08/1064387808.db2.gz LZUSMEJMYQPLCZ-UHFFFAOYSA-N 0 3 455.651 2.630 20 0 JFADHN CCN1CCN(CCCn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001296206800 1064396190 /nfs/dbraw/zinc/39/61/90/1064396190.db2.gz SUUSSEZYNXBJFA-LJQANCHMSA-N 0 3 495.093 2.640 20 0 JFADHN CCN1CCN(CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@H](C)[C@@H]2C)CC1 ZINC001296207286 1064397366 /nfs/dbraw/zinc/39/73/66/1064397366.db2.gz WIPWZOQAGBCZQC-UXHICEINSA-N 0 3 474.675 2.611 20 0 JFADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC1 ZINC001296211286 1064401906 /nfs/dbraw/zinc/40/19/06/1064401906.db2.gz LSGBHLSHZNFTDB-FNZWTVRRSA-N 0 3 489.709 2.998 20 0 JFADHN CCN1CCN(CCCn2c(COc3ccccc3F)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296214850 1064414477 /nfs/dbraw/zinc/41/44/77/1064414477.db2.gz PEINZEIRFWGXLN-NZQKXSOJSA-N 0 3 474.625 2.885 20 0 JFADHN CCN1CCN(CCCn2c(COc3ccccc3F)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296214853 1064414954 /nfs/dbraw/zinc/41/49/54/1064414954.db2.gz PEINZEIRFWGXLN-REWPJTCUSA-N 0 3 474.625 2.885 20 0 JFADHN CC[C@@H](c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001291859114 1064468364 /nfs/dbraw/zinc/46/83/64/1064468364.db2.gz WSWQSTILMABJEN-QNWVGRARSA-N 0 3 467.662 2.513 20 0 JFADHN CC[C@@H](c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001291859115 1064468475 /nfs/dbraw/zinc/46/84/75/1064468475.db2.gz WSWQSTILMABJEN-QZNHQXDQSA-N 0 3 467.662 2.513 20 0 JFADHN CC[C@@H](c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001291859102 1064468543 /nfs/dbraw/zinc/46/85/43/1064468543.db2.gz WSWQSTILMABJEN-FUPPJEDESA-N 0 3 467.662 2.513 20 0 JFADHN CCNC(=O)C(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001296242551 1064501453 /nfs/dbraw/zinc/50/14/53/1064501453.db2.gz WBBUJQBYUZYBJV-IBGZPJMESA-N 0 3 486.636 2.860 20 0 JFADHN CCNC(=O)C(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CCN(C2CCOCC2)CC1 ZINC001296249302 1064511369 /nfs/dbraw/zinc/51/13/69/1064511369.db2.gz LIIPMRRMOUEIHE-UHFFFAOYSA-N 0 3 498.672 2.883 20 0 JFADHN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)C1=CCN(C)CC1 ZINC001296254823 1064516988 /nfs/dbraw/zinc/51/69/88/1064516988.db2.gz WHTCFFINWMSJMP-OAHLLOKOSA-N 0 3 459.534 2.873 20 0 JFADHN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1)OC ZINC001291930842 1064548379 /nfs/dbraw/zinc/54/83/79/1064548379.db2.gz DQINTZZZYSDXLE-YMPZKCBVSA-N 0 3 490.693 2.756 20 0 JFADHN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001291933475 1064552407 /nfs/dbraw/zinc/55/24/07/1064552407.db2.gz HMXWMCCYIQJBFA-URXFXBBRSA-N 0 3 497.688 2.848 20 0 JFADHN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1)OC ZINC001291933474 1064552493 /nfs/dbraw/zinc/55/24/93/1064552493.db2.gz HMXWMCCYIQJBFA-QPPBQGQZSA-N 0 3 497.688 2.848 20 0 JFADHN CCC(CC)(Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001291942635 1064559231 /nfs/dbraw/zinc/55/92/31/1064559231.db2.gz WLZWLJAQMHSIDW-UHFFFAOYSA-N 0 3 490.674 2.776 20 0 JFADHN CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCNC(=O)[C@@H]1CC)N1CCOCC1 ZINC001291956200 1064571203 /nfs/dbraw/zinc/57/12/03/1064571203.db2.gz ZMPJXWYTGLHIRR-GOTSBHOMSA-N 0 3 484.645 2.806 20 0 JFADHN CCNC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001296295840 1064572193 /nfs/dbraw/zinc/57/21/93/1064572193.db2.gz VVRZKTCENDFYKH-OAQYLSRUSA-N 0 3 473.641 2.567 20 0 JFADHN CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)N(C)C ZINC001291967498 1064582917 /nfs/dbraw/zinc/58/29/17/1064582917.db2.gz PGBRMLMDMDJUEU-SXWKCWPCSA-N 0 3 467.680 2.901 20 0 JFADHN CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001291973329 1064588061 /nfs/dbraw/zinc/58/80/61/1064588061.db2.gz GLSKCGDUMGAGQC-OALUTQOASA-N 0 3 453.678 2.920 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC1(CC)CC1 ZINC001292016180 1064648508 /nfs/dbraw/zinc/64/85/08/1064648508.db2.gz DDOABSWIYACRIY-DENIHFKCSA-N 0 3 487.693 2.766 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CCNC(=O)c1ccccc1F ZINC001292020471 1064659530 /nfs/dbraw/zinc/65/95/30/1064659530.db2.gz HQSKIWUHQLYHIC-MSOLQXFVSA-N 0 3 487.624 2.685 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@H](OC)C2)n1CC(C)(C)N1CCC(OC)CC1 ZINC001292043272 1064709341 /nfs/dbraw/zinc/70/93/41/1064709341.db2.gz FRWNNUWHKWPTBX-WIYYLYMNSA-N 0 3 478.682 2.947 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@H]1CCCCN1C1CC1 ZINC001292052834 1064717530 /nfs/dbraw/zinc/71/75/30/1064717530.db2.gz HANOQFUQEZOFLN-JOCHJYFZSA-N 0 3 487.693 2.908 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1CCN1CCC(C)CC1 ZINC001292062747 1064733916 /nfs/dbraw/zinc/73/39/16/1064733916.db2.gz CWJDFNRCTSQUAS-UHFFFAOYSA-N 0 3 475.682 2.669 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3ccc(F)cc3)C2)n1CCN1CCC[C@@H]1C ZINC001292066073 1064743461 /nfs/dbraw/zinc/74/34/61/1064743461.db2.gz JIVVMJWRBNQYIM-AVRWGWEMSA-N 0 3 472.609 2.918 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001292077140 1064758627 /nfs/dbraw/zinc/75/86/27/1064758627.db2.gz WPVDIUIZWAHQSI-LVXARBLLSA-N 0 3 481.645 2.524 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Cc3noc(C)n3)C2)n1CCN1CCC[C@@H]1C ZINC001292095403 1064787339 /nfs/dbraw/zinc/78/73/39/1064787339.db2.gz XQNFXDABUDZVIF-HKUYNNGSSA-N 0 3 472.638 2.831 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@@H]1CCCN1CC ZINC001292106575 1064804318 /nfs/dbraw/zinc/80/43/18/1064804318.db2.gz XXEMGRZMZAAYBG-SFHVURJKSA-N 0 3 473.588 2.755 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)CC2)n1Cc1ccc2c(c1)OCCO2 ZINC001292124644 1064865819 /nfs/dbraw/zinc/86/58/19/1064865819.db2.gz NYGXEVGPAPEVAB-UHFFFAOYSA-N 0 3 470.618 2.794 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCc1nc(C)c(C)s1 ZINC001292126445 1064875620 /nfs/dbraw/zinc/87/56/20/1064875620.db2.gz QFYWKFNQQZKJTA-UHFFFAOYSA-N 0 3 489.690 2.814 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1c(C)coc1C ZINC001292126713 1064877341 /nfs/dbraw/zinc/87/73/41/1064877341.db2.gz SNXLFTKBWHUHNY-UHFFFAOYSA-N 0 3 458.607 2.756 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCc1nccnc1C ZINC001292126967 1064878541 /nfs/dbraw/zinc/87/85/41/1064878541.db2.gz WASISENHUCUOPS-UHFFFAOYSA-N 0 3 468.650 2.992 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCN1CCOCC1(C)C ZINC001292126916 1064878600 /nfs/dbraw/zinc/87/86/00/1064878600.db2.gz SJSAYCDSERIHCP-UHFFFAOYSA-N 0 3 491.725 2.866 20 0 JFADHN CCN(CC)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)c1ccc(C(F)(F)F)cc1 ZINC001292141547 1064909555 /nfs/dbraw/zinc/90/95/55/1064909555.db2.gz LLTBRCGVCGYHGZ-APWZRJJASA-N 0 3 451.493 2.991 20 0 JFADHN CCN(CC)[C@H](CNC(=O)[C@H]1C[C@H](O)CN1c1ccncn1)c1ccc(C(F)(F)F)cc1 ZINC001292142656 1064909949 /nfs/dbraw/zinc/90/99/49/1064909949.db2.gz ZCZHUMULWDQETA-IPMKNSEASA-N 0 3 451.493 2.634 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nccs3)C2)n1CCN1CCC[C@H](C)C1 ZINC001292145255 1064918381 /nfs/dbraw/zinc/91/83/81/1064918381.db2.gz SQEJBKRCCNAEJL-PKOBYXMFSA-N 0 3 475.663 2.963 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@H](OC)C2)n1CCCN1CCc2ccccc2C1 ZINC001292154289 1064933193 /nfs/dbraw/zinc/93/31/93/1064933193.db2.gz ULLZAPCPTBJVDU-QFIPXVFZSA-N 0 3 454.619 2.870 20 0 JFADHN CC[C@H](Cn1c(C(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC001292163474 1064949156 /nfs/dbraw/zinc/94/91/56/1064949156.db2.gz NYKFAOZCBJDUIS-SIKLNZKXSA-N 0 3 474.675 2.709 20 0 JFADHN CC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001292186918 1064978831 /nfs/dbraw/zinc/97/88/31/1064978831.db2.gz UDJCBYJQPSAWDC-CTNGQTDRSA-N 0 3 461.632 2.842 20 0 JFADHN CC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001292186921 1064978927 /nfs/dbraw/zinc/97/89/27/1064978927.db2.gz UDJCBYJQPSAWDC-TZIWHRDSSA-N 0 3 461.632 2.842 20 0 JFADHN CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1)NC(=O)OC(C)(C)C ZINC001292225106 1065011723 /nfs/dbraw/zinc/01/17/23/1065011723.db2.gz LTPDLTFXYDPMBB-QHAWAJNXSA-N 0 3 492.665 2.634 20 0 JFADHN CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC001292243900 1065027225 /nfs/dbraw/zinc/02/72/25/1065027225.db2.gz PZXGQVCLKLLXHY-NRFANRHFSA-N 0 3 499.660 2.868 20 0 JFADHN CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)O1 ZINC001292304934 1065075195 /nfs/dbraw/zinc/07/51/95/1065075195.db2.gz OGDBIVIOSNNDTQ-UMEGOILYSA-N 0 3 460.667 2.957 20 0 JFADHN CCc1ccc([C@@H](Cn2c(Cc3ccncc3)nnc2N2CC[C@](C)(C(N)=O)C2)N(C)C)cc1 ZINC001292458649 1065183029 /nfs/dbraw/zinc/18/30/29/1065183029.db2.gz AGQAGZAXRICUQE-GJZUVCINSA-N 0 3 461.614 2.831 20 0 JFADHN CCc1ccc([C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C(N)=O)CC2)N(C)C)cc1 ZINC001292458763 1065183042 /nfs/dbraw/zinc/18/30/42/1065183042.db2.gz BMTBSUQBEFQEOE-QHCPKHFHSA-N 0 3 478.645 2.707 20 0 JFADHN CCc1ccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCN(CC(C)C)C(=O)C2)N(C)C)cc1 ZINC001292459215 1065184303 /nfs/dbraw/zinc/18/43/03/1065184303.db2.gz CZWLDSPAOMWRTG-HSZRJFAPSA-N 0 3 495.672 2.570 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](CNC(C)=O)C2)N(C)C)cc1 ZINC001292459718 1065186045 /nfs/dbraw/zinc/18/60/45/1065186045.db2.gz FUFFBCYDXXQRIM-TZRRMPRUSA-N 0 3 484.645 2.726 20 0 JFADHN CCc1ccc([C@@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(OCC(N)=O)CC2)N(C)C)cc1 ZINC001292460185 1065187185 /nfs/dbraw/zinc/18/71/85/1065187185.db2.gz HIDGOXAOVVCFRX-PKTZIBPZSA-N 0 3 484.645 2.856 20 0 JFADHN CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(=O)NC3CC3)C2)N(C)C)cc1 ZINC001292460430 1065187731 /nfs/dbraw/zinc/18/77/31/1065187731.db2.gz XDSSFYIVFJRJSF-GMAHTHKFSA-N 0 3 495.672 2.777 20 0 JFADHN CCc1ccc([C@@H](Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)C(C)C)CC2)N(C)C)cc1 ZINC001292460531 1065188344 /nfs/dbraw/zinc/18/83/44/1065188344.db2.gz IEZNKLOLHQJHCP-XZOQPEGZSA-N 0 3 468.646 2.952 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](C(=O)NC)C2)N(C)C)cc1 ZINC001292460538 1065189077 /nfs/dbraw/zinc/18/90/77/1065189077.db2.gz IHBQDVFWEBPPBP-FDFHNCONSA-N 0 3 454.619 2.957 20 0 JFADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001292469977 1065195911 /nfs/dbraw/zinc/19/59/11/1065195911.db2.gz CKZXMESHGBKHAT-MOPGFXCFSA-N 0 3 450.461 2.566 20 0 JFADHN CCc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H](C(CC)CC)N2CCOCC2)cc1 ZINC001292488604 1065210145 /nfs/dbraw/zinc/21/01/45/1065210145.db2.gz OVBWQRLOJPXAQI-DHIUTWEWSA-N 0 3 468.646 2.956 20 0 JFADHN CCc1[nH]nc(C(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)c1Br ZINC001292508914 1065227621 /nfs/dbraw/zinc/22/76/21/1065227621.db2.gz YGLMEUJEYXQHMD-UHFFFAOYSA-N 0 3 451.756 2.994 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2CCC(=O)N[C@H](C)CC)cc1 ZINC001292513197 1065232194 /nfs/dbraw/zinc/23/21/94/1065232194.db2.gz AGZRBOAYPRXGAY-NFBKMPQASA-N 0 3 495.672 2.555 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001292513235 1065232792 /nfs/dbraw/zinc/23/27/92/1065232792.db2.gz ASENUZQFDZCXJZ-AREMUKBSSA-N 0 3 468.646 2.659 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(CCOC)[C@@H](C)C3)n2CCN2CCOC(C)(C)C2)cc1 ZINC001292520451 1065245505 /nfs/dbraw/zinc/24/55/05/1065245505.db2.gz JSDSXBNLHBZYPY-NRFANRHFSA-N 0 3 470.662 2.775 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001292520717 1065245998 /nfs/dbraw/zinc/24/59/98/1065245998.db2.gz RVIMERHROVHWSQ-UHFFFAOYSA-N 0 3 462.664 2.613 20 0 JFADHN Cn1nc(I)cc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC001292541205 1065263044 /nfs/dbraw/zinc/26/30/44/1065263044.db2.gz RJIHFYLDDFYCHI-UHFFFAOYSA-N 0 3 452.340 2.805 20 0 JFADHN CCc1nnc(N2CCO[C@@H](c3ccc(CC)cc3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001292542989 1065264814 /nfs/dbraw/zinc/26/48/14/1065264814.db2.gz ZNQDIGKAZDVBEZ-DHIUTWEWSA-N 0 3 468.646 2.924 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CC(C)(C)O ZINC001292600840 1065322841 /nfs/dbraw/zinc/32/28/41/1065322841.db2.gz MIPCLSRYAPLXHM-JOCHJYFZSA-N 0 3 470.662 2.795 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CC(C)(C)O ZINC001292600841 1065323315 /nfs/dbraw/zinc/32/33/15/1065323315.db2.gz MIPCLSRYAPLXHM-QFIPXVFZSA-N 0 3 470.662 2.795 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCC(=O)NC(C)(C)C ZINC001292614688 1065345350 /nfs/dbraw/zinc/34/53/50/1065345350.db2.gz ILVXTZCAGXOXEI-NRFANRHFSA-N 0 3 498.672 2.883 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001292619808 1065356694 /nfs/dbraw/zinc/35/66/94/1065356694.db2.gz PMQZGPZAVWCQLO-ZDXQCDESSA-N 0 3 484.689 2.900 20 0 JFADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001292634348 1065372415 /nfs/dbraw/zinc/37/24/15/1065372415.db2.gz CABBNAXHYCCBMK-NRFANRHFSA-N 0 3 458.603 2.652 20 0 JFADHN CCc1nnc(N(C)Cc2nc(CCOC)no2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001292843199 1065574254 /nfs/dbraw/zinc/57/42/54/1065574254.db2.gz JAIHYODTTHOOLF-UHFFFAOYSA-N 0 3 453.591 2.886 20 0 JFADHN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(CCN(C)C)C3CCCCC3)c2)C[C@@H](C)O1 ZINC001292872690 1065581827 /nfs/dbraw/zinc/58/18/27/1065581827.db2.gz VQQJKHGIFQOQAL-RTBURBONSA-N 0 3 451.633 2.821 20 0 JFADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1C[C@H](SC)C(C)(C)C ZINC001292892895 1065591952 /nfs/dbraw/zinc/59/19/52/1065591952.db2.gz IRDKDPFEJXNHBG-SXLOBPIMSA-N 0 3 450.697 2.997 20 0 JFADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001292894290 1065595432 /nfs/dbraw/zinc/59/54/32/1065595432.db2.gz WKOSWDMQBIPXEG-UWJYYQICSA-N 0 3 493.578 2.876 20 0 JFADHN CCc1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1Cc1cc(OC)ccc1OC(F)F ZINC001292979545 1065661333 /nfs/dbraw/zinc/66/13/33/1065661333.db2.gz WYAZYSXJKWRBQC-SFHVURJKSA-N 0 3 464.561 2.715 20 0 JFADHN CCN1CCN(CCNC(=O)C[C@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)CC1 ZINC001292986444 1065671785 /nfs/dbraw/zinc/67/17/85/1065671785.db2.gz MHWCOSJNPCXGEI-SFHVURJKSA-N 0 3 454.015 2.753 20 0 JFADHN CCc1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1CC(C)(C)c1ccc(OC)cc1 ZINC001293085013 1065735203 /nfs/dbraw/zinc/73/52/03/1065735203.db2.gz AEOQIZIYTWMXMW-UHFFFAOYSA-N 0 3 456.635 2.817 20 0 JFADHN CCc1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1cc(Cl)c(OC)c(OC)c1 ZINC001293087358 1065737007 /nfs/dbraw/zinc/73/70/07/1065737007.db2.gz SZHGHTSVQWROQA-UHFFFAOYSA-N 0 3 479.025 2.550 20 0 JFADHN CCc1noc(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001293188705 1065813495 /nfs/dbraw/zinc/81/34/95/1065813495.db2.gz MXRKBYVYNBXRCK-HZPDHXFCSA-N 0 3 452.563 2.751 20 0 JFADHN CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(F)cc2Br)n1CCN1CC=CCC1 ZINC001293229354 1065885207 /nfs/dbraw/zinc/88/52/07/1065885207.db2.gz SWJHWULIXMDHLP-GOSISDBHSA-N 0 3 477.382 2.823 20 0 JFADHN CC[C@@H]1C[C@H](C)CN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001293298894 1065939735 /nfs/dbraw/zinc/93/97/35/1065939735.db2.gz DCPDTLPFWHZHQP-BKSPAHHJSA-N 0 3 462.683 2.970 20 0 JFADHN CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001293329586 1065951026 /nfs/dbraw/zinc/95/10/26/1065951026.db2.gz IGCQRBKACODTKG-ITBHCLRTSA-N 0 3 476.666 2.570 20 0 JFADHN CC[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001293375182 1065981284 /nfs/dbraw/zinc/98/12/84/1065981284.db2.gz BKUMPZVKLNRXEU-MBOZVWFJSA-N 0 3 466.627 2.957 20 0 JFADHN CC[C@@H]1CCCCN1CCn1c(COc2ccccc2OC)nnc1N1CCS(=O)CC1 ZINC001293379503 1065984106 /nfs/dbraw/zinc/98/41/06/1065984106.db2.gz QXJRSNOFRKKDRB-LJQANCHMSA-N 0 3 461.632 2.699 20 0 JFADHN CC[C@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCN(CC)CC2)C1 ZINC001293388044 1065988929 /nfs/dbraw/zinc/98/89/29/1065988929.db2.gz XXVJAXXICWTYNL-DHLKQENFSA-N 0 3 462.683 2.973 20 0 JFADHN CC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCN(CC)CC2)CCS1 ZINC001293530407 1066049949 /nfs/dbraw/zinc/04/99/49/1066049949.db2.gz FGKGXTXXWZBGNB-QPPBQGQZSA-N 0 3 480.723 2.678 20 0 JFADHN CC[C@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCN(CC)CC2)CCS1 ZINC001293530409 1066050000 /nfs/dbraw/zinc/05/00/00/1066050000.db2.gz FGKGXTXXWZBGNB-URXFXBBRSA-N 0 3 480.723 2.678 20 0 JFADHN CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC001293558450 1066072165 /nfs/dbraw/zinc/07/21/65/1066072165.db2.gz MSVJSYWXEPOWCX-VWLOTQADSA-N 0 3 458.603 2.776 20 0 JFADHN CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCCN2CCOCC2)CCN1CCOC ZINC001293565343 1066077385 /nfs/dbraw/zinc/07/73/85/1066077385.db2.gz LLWNWUAWVIZXGA-HXUWFJFHSA-N 0 3 477.053 2.868 20 0 JFADHN CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@H]1N1CCOCC1 ZINC001293603100 1066120012 /nfs/dbraw/zinc/12/00/12/1066120012.db2.gz SYTHXBLARHDXDZ-MYDTUXCISA-N 0 3 476.710 2.913 20 0 JFADHN CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H](C)CN2CCN(CC)CC2)CCO1 ZINC001293643794 1066159134 /nfs/dbraw/zinc/15/91/34/1066159134.db2.gz HIBWPWGERZNEPI-NHCUHLMSSA-N 0 3 474.625 2.885 20 0 JFADHN CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001293645680 1066161219 /nfs/dbraw/zinc/16/12/19/1066161219.db2.gz XNFOZKOJNWLIGK-TZIWHRDSSA-N 0 3 488.608 2.554 20 0 JFADHN CC/C=C\Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001293704326 1066178272 /nfs/dbraw/zinc/17/82/72/1066178272.db2.gz CTTKYZJKECEOSF-AMZHIVGSSA-N 0 3 468.602 2.747 20 0 JFADHN CCCC(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2N(C)CCCC2(C)C)CC1 ZINC001293760986 1066244437 /nfs/dbraw/zinc/24/44/37/1066244437.db2.gz FCDHRDTUCPMLEC-HXUWFJFHSA-N 0 3 496.660 2.931 20 0 JFADHN CCC[C@](C)(O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001293821881 1066329796 /nfs/dbraw/zinc/32/97/96/1066329796.db2.gz SINUFGZXWQNSFD-MHZLTWQESA-N 0 3 495.672 2.978 20 0 JFADHN CCC[C@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001293837284 1066342142 /nfs/dbraw/zinc/34/21/42/1066342142.db2.gz SIWOAQYMDWQZQJ-KCWPFWIISA-N 0 3 498.672 2.768 20 0 JFADHN CCC[C@@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001293837285 1066342193 /nfs/dbraw/zinc/34/21/93/1066342193.db2.gz SIWOAQYMDWQZQJ-WNCULLNHSA-N 0 3 498.672 2.768 20 0 JFADHN Cc1noc(COc2ccc(C(=O)NC3CCN(CCOc4ccc(F)cc4)CC3)cn2)n1 ZINC001293845518 1066347905 /nfs/dbraw/zinc/34/79/05/1066347905.db2.gz QRHJVZCJDSMLTK-UHFFFAOYSA-N 0 3 455.490 2.764 20 0 JFADHN CNC(=O)COc1cccc(CC(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)c1 ZINC001293911441 1066398094 /nfs/dbraw/zinc/39/80/94/1066398094.db2.gz GUZREXJNMGSRHP-UHFFFAOYSA-N 0 3 459.974 2.667 20 0 JFADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(F)ccc1I ZINC001293981795 1066486049 /nfs/dbraw/zinc/48/60/49/1066486049.db2.gz JOSCWCNPUBLNHS-LJQANCHMSA-N 0 3 454.283 2.797 20 0 JFADHN O=C(NCc1ccccc1CN1CCC(O)CC1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001293999704 1066501548 /nfs/dbraw/zinc/50/15/48/1066501548.db2.gz NHPAEYQSDLXCKM-UHFFFAOYSA-N 0 3 456.486 2.867 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2ncn(C)n2)CCN1CCOC ZINC001294066915 1066537310 /nfs/dbraw/zinc/53/73/10/1066537310.db2.gz HEPHNPQJZXAOTP-LJQANCHMSA-N 0 3 458.998 2.712 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN2CCOC(C)(C)C2)CCN1CCOC ZINC001294066942 1066537376 /nfs/dbraw/zinc/53/73/76/1066537376.db2.gz JAFXMSSVBOEPPH-NRFANRHFSA-N 0 3 474.650 2.894 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[C@H]2CCO[C@@H](C)C2)CCN1CCOC ZINC001294077858 1066546891 /nfs/dbraw/zinc/54/68/91/1066546891.db2.gz STZJCDTUURTQON-JAXLGGSGSA-N 0 3 459.639 2.821 20 0 JFADHN CCC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001294092056 1066563023 /nfs/dbraw/zinc/56/30/23/1066563023.db2.gz SVSBUKKJVBJAPL-GMAHTHKFSA-N 0 3 486.636 2.956 20 0 JFADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)nc3c1ncn3Cc1ccccc1)CC2 ZINC001164686341 719709507 /nfs/dbraw/zinc/70/95/07/719709507.db2.gz ZZZSMIVQAMXUDN-UHFFFAOYSA-N 0 3 453.978 2.709 20 0 JFADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)CC2 ZINC001164685215 719711549 /nfs/dbraw/zinc/71/15/49/719711549.db2.gz SKVOHKYWCHSKCX-UHFFFAOYSA-N 0 3 455.006 2.827 20 0 JFADHN O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164724330 720363336 /nfs/dbraw/zinc/36/33/36/720363336.db2.gz JROPQNDERSRKPI-FCHUYYIVSA-N 0 3 460.563 2.917 20 0 JFADHN Cc1cc2c(ncnc2N2CCc3ncc(CN4CCCC4)n3CC2)n1S(=O)(=O)c1ccccc1 ZINC001164732960 720556185 /nfs/dbraw/zinc/55/61/85/720556185.db2.gz HAOYCHUZFKJUDJ-UHFFFAOYSA-N 0 3 491.621 2.832 20 0 JFADHN Clc1nc(Cl)c2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2n1 ZINC001164740064 720657979 /nfs/dbraw/zinc/65/79/79/720657979.db2.gz PLIGXQOEAMXGNL-VHSXEESVSA-N 0 3 453.721 2.512 20 0 JFADHN CCOC(=O)c1cnc(-c2cccs2)nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744276 720676350 /nfs/dbraw/zinc/67/63/50/720676350.db2.gz YYZPPRWDERYKIA-HOTGVXAUSA-N 0 3 452.540 2.514 20 0 JFADHN CCOC(=O)c1sc2nc(C)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164746434 720757399 /nfs/dbraw/zinc/75/73/99/720757399.db2.gz YBQSAGXNSNFXKR-HZPDHXFCSA-N 0 3 454.556 2.617 20 0 JFADHN CC[C@@H]1C(=O)Nc2cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164865570 721087383 /nfs/dbraw/zinc/08/73/83/721087383.db2.gz NCBZNZSGAXBDEO-FUPPJEDESA-N 0 3 477.613 2.831 20 0 JFADHN CC[C@@H]1C(=O)Nc2cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2N1C1CCCC1 ZINC001164865572 721087905 /nfs/dbraw/zinc/08/79/05/721087905.db2.gz NCBZNZSGAXBDEO-QNWVGRARSA-N 0 3 477.613 2.831 20 0 JFADHN Fc1ccccc1N1CCN(c2cc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ncn2)CC1 ZINC001164880937 721156536 /nfs/dbraw/zinc/15/65/36/721156536.db2.gz XWUSEELUHWDTOH-PKTZIBPZSA-N 0 3 489.599 2.817 20 0 JFADHN COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164762476 721174580 /nfs/dbraw/zinc/17/45/80/721174580.db2.gz CGWZMOKJSMJFBS-QOEWUMFVSA-N 0 3 480.613 2.944 20 0 JFADHN COc1ccc(CN(C)c2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164879864 721176635 /nfs/dbraw/zinc/17/66/35/721176635.db2.gz UUDZPRNOMXUTRG-VWNXMTODSA-N 0 3 460.582 2.996 20 0 JFADHN CCc1cc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc(N2CCOCC2)n1 ZINC001164780648 721359194 /nfs/dbraw/zinc/35/91/94/721359194.db2.gz GCQWDYILIIHLGR-VWLOTQADSA-N 0 3 470.618 2.599 20 0 JFADHN CN(Cc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)nc1)C1CC1 ZINC001164900187 721495638 /nfs/dbraw/zinc/49/56/38/721495638.db2.gz NDAJCVWISHXLKC-HLAWJBBLSA-N 0 3 450.616 2.898 20 0 JFADHN COC(=O)C1CCN(c2ccc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nn2)CC1 ZINC001164907390 721712852 /nfs/dbraw/zinc/71/28/52/721712852.db2.gz RKKBWYKQPAOQIY-XMMPIXPASA-N 0 3 486.567 2.999 20 0 JFADHN CCOC(=O)c1cnc([S@](C)=O)nc1N1C[C@@H]2CCC[C@H](N(C)Cc3ccccn3)[C@@H]2C1 ZINC001165027065 721822504 /nfs/dbraw/zinc/82/25/04/721822504.db2.gz RNTRDTOUURMJHS-LZNVNXOZSA-N 0 3 457.600 2.523 20 0 JFADHN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982715 722101535 /nfs/dbraw/zinc/10/15/35/722101535.db2.gz OCISFHDGSSMFEO-AEFFLSMTSA-N 0 3 481.931 2.974 20 0 JFADHN NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983845 722136380 /nfs/dbraw/zinc/13/63/80/722136380.db2.gz VRURBASIQXQLLW-QAPCUYQASA-N 0 3 451.905 2.501 20 0 JFADHN COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1C ZINC001164972556 722137581 /nfs/dbraw/zinc/13/75/81/722137581.db2.gz ACCONUIYEWHKGI-QFBILLFUSA-N 0 3 470.961 2.531 20 0 JFADHN C[C@@H]1Cc2cc(C(=O)NCC3(N4CCSCC4)CCCCC3)ccc2N1S(C)(=O)=O ZINC001265126644 1059774160 /nfs/dbraw/zinc/77/41/60/1059774160.db2.gz IOWKDSSGXMKPLT-QGZVFWFLSA-N 0 3 451.658 2.879 20 0 JFADHN Cc1ccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)cc1S(=O)(=O)NC1CC1 ZINC001265311649 1059823286 /nfs/dbraw/zinc/82/32/86/1059823286.db2.gz WBAKAXMEKCQHLV-UHFFFAOYSA-N 0 3 456.612 2.977 20 0 JFADHN CC(C)N1CCN(c2ccc(C(=O)Nc3nn(C)cc3I)cc2)CC1 ZINC001279632854 1059986934 /nfs/dbraw/zinc/98/69/34/1059986934.db2.gz RLSZVCOIBDLLDB-UHFFFAOYSA-N 0 3 453.328 2.807 20 0 JFADHN C=Cc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCC3)CC2)cc1 ZINC001286649575 1060765577 /nfs/dbraw/zinc/76/55/77/1060765577.db2.gz JGOWMWYUBKNOBH-IBGZPJMESA-N 0 3 472.659 2.839 20 0 JFADHN CC(=O)N(C)C1CCN(c2nnc(CCOc3ccccc3)n2CCN2CC=CCC2)CC1 ZINC001286842819 1061117919 /nfs/dbraw/zinc/11/79/19/1061117919.db2.gz CATNXFHDCAHFOP-UHFFFAOYSA-N 0 3 452.603 2.609 20 0 JFADHN CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCCOC3)n2CCN(C)Cc2ccccc2)C1 ZINC001286850657 1061179591 /nfs/dbraw/zinc/17/95/91/1061179591.db2.gz PQZTZFODFIJQSZ-PKTZIBPZSA-N 0 3 454.619 2.609 20 0 JFADHN CC(=O)N1CCC[C@H](Cn2c(CC(C)C)nnc2N(C)C2CCN(CCn3cccn3)CC2)C1 ZINC001286858891 1061222086 /nfs/dbraw/zinc/22/20/86/1061222086.db2.gz CZZWPHMENMJVTP-QFIPXVFZSA-N 0 3 470.666 2.532 20 0 JFADHN Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccc([O-])cc4)CC3)n2CC[N@@H+](C)C(C)C)o1 ZINC001289595815 1061239444 /nfs/dbraw/zinc/23/94/44/1061239444.db2.gz RRBGJSZPUBDFNI-UHFFFAOYSA-N 0 3 452.559 2.855 20 0 JFADHN Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccc([O-])cc4)CC3)n2CC[N@H+](C)C(C)C)o1 ZINC001289595815 1061239464 /nfs/dbraw/zinc/23/94/64/1061239464.db2.gz RRBGJSZPUBDFNI-UHFFFAOYSA-N 0 3 452.559 2.855 20 0 JFADHN CC(=O)N1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001286865033 1061245162 /nfs/dbraw/zinc/24/51/62/1061245162.db2.gz RASCFUWKKKPZNT-QFIPXVFZSA-N 0 3 451.550 2.841 20 0 JFADHN CC(=O)N1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCC(C)CC2)[C@H](C)C1 ZINC001286866524 1061249009 /nfs/dbraw/zinc/24/90/09/1061249009.db2.gz CCRTVRZGWHTRQW-OAQYLSRUSA-N 0 3 481.645 2.936 20 0 JFADHN CC(=O)N1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001286867811 1061254834 /nfs/dbraw/zinc/25/48/34/1061254834.db2.gz FWOIRHYRICQPRR-QHCPKHFHSA-N 0 3 465.577 2.765 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CCCOc3ccc(C)cc3)C[C@H]2C)CC1 ZINC001286868514 1061257903 /nfs/dbraw/zinc/25/79/03/1061257903.db2.gz BFEWUJWDKFXDLM-HYBUGGRVSA-N 0 3 454.619 2.743 20 0 JFADHN CC(=O)N1CCN(c2nnc(C(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC12CCCCC2 ZINC001286869784 1061262755 /nfs/dbraw/zinc/26/27/55/1061262755.db2.gz HKOOLIUCFYIEAA-JOCHJYFZSA-N 0 3 487.693 2.716 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3CCn3cc(Cl)cn3)C[C@@H]2C)CC1 ZINC001286870819 1061267954 /nfs/dbraw/zinc/26/79/54/1061267954.db2.gz KNCBXTSSONRKQR-PXNSSMCTSA-N 0 3 477.057 2.505 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccn4C)n3C[C@@](C)(O)CCC(C)C)C[C@H]2C)CC1 ZINC001286871188 1061271209 /nfs/dbraw/zinc/27/12/09/1061271209.db2.gz MREQZFMAEKBXCG-DBTWGZIYSA-N 0 3 499.704 2.850 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccn4C)n3C[C@](C)(O)CCC(C)C)C[C@H]2C)CC1 ZINC001286871190 1061271512 /nfs/dbraw/zinc/27/15/12/1061271512.db2.gz MREQZFMAEKBXCG-GNMGOMLTSA-N 0 3 499.704 2.850 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3CCc3csc(C)n3)C[C@H]2C)CC1 ZINC001286871449 1061272039 /nfs/dbraw/zinc/27/20/39/1061272039.db2.gz OKVVKZRRDBYKQF-GCJKJVERSA-N 0 3 473.691 2.863 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3CCc3csc(C)n3)C[C@@H]2C)CC1 ZINC001286871448 1061272235 /nfs/dbraw/zinc/27/22/35/1061272235.db2.gz OKVVKZRRDBYKQF-AVRDEDQJSA-N 0 3 473.691 2.863 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3CCc3csc(C)n3)C[C@@H]2C)CC1 ZINC001286871450 1061273347 /nfs/dbraw/zinc/27/33/47/1061273347.db2.gz OKVVKZRRDBYKQF-PGRDOPGGSA-N 0 3 473.691 2.863 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC4CC4)n3CCCOCC(C)C)C[C@H]2C)CC1 ZINC001286871809 1061275476 /nfs/dbraw/zinc/27/54/76/1061275476.db2.gz QCHPTFBKVMCBIQ-NFBKMPQASA-N 0 3 460.667 2.672 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3CCOc3ccccc3Cl)C[C@@H]2C)CC1 ZINC001286872360 1061278002 /nfs/dbraw/zinc/27/80/02/1061278002.db2.gz UQCPGPWYUJLWMP-UWJYYQICSA-N 0 3 461.010 2.698 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccccn4)n3CCSC(C)C)C[C@@H]2C)CC1 ZINC001286872971 1061283667 /nfs/dbraw/zinc/28/36/67/1061283667.db2.gz ZLBVUXLEZNYKJX-UGKGYDQZSA-N 0 3 471.675 2.861 20 0 JFADHN Cc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCN(CC(C)C)CC2)cn1 ZINC001289665304 1061287166 /nfs/dbraw/zinc/28/71/66/1061287166.db2.gz JVNXTYMOPYIKMM-UHFFFAOYSA-N 0 3 468.627 2.878 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H]2N(C)CCCC2(C)C)cc1C ZINC001289740749 1061355068 /nfs/dbraw/zinc/35/50/68/1061355068.db2.gz PEZMXAWGYSCVRW-PZJWPPBQSA-N 0 3 481.645 2.935 20 0 JFADHN Cc1ccc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CC2CCS(=O)(=O)CC2)cc1 ZINC001289820793 1061482897 /nfs/dbraw/zinc/48/28/97/1061482897.db2.gz ITWINBBPVRPLDR-UHFFFAOYSA-N 0 3 475.659 2.911 20 0 JFADHN CC(=O)NC[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001286926856 1061541549 /nfs/dbraw/zinc/54/15/49/1061541549.db2.gz HJNZPSYDZMRYLC-VWNXMTODSA-N 0 3 461.614 2.919 20 0 JFADHN CCC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001294093453 1061571941 /nfs/dbraw/zinc/57/19/41/1061571941.db2.gz DQHUFJMIIACOQX-NHCUHLMSSA-N 0 3 489.690 2.582 20 0 JFADHN CC(=O)NCC1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001286936292 1061577877 /nfs/dbraw/zinc/57/78/77/1061577877.db2.gz YSYKYQLKKNDCOP-FGZHOGPDSA-N 0 3 458.582 2.924 20 0 JFADHN CCCC(=O)N1CCC[C@H](C(=O)N2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)C1 ZINC001294103160 1061582904 /nfs/dbraw/zinc/58/29/04/1061582904.db2.gz JHRSVOWZUJRBMA-QHCPKHFHSA-N 0 3 456.631 2.512 20 0 JFADHN CN(CCNC(=O)C1CCN(C(=O)Cc2cccc3nsnc32)CC1)Cc1ccccc1 ZINC001294113205 1061595185 /nfs/dbraw/zinc/59/51/85/1061595185.db2.gz VJNWTSAYJWKLLG-UHFFFAOYSA-N 0 3 451.596 2.721 20 0 JFADHN Cc1cccc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)n1 ZINC001289908203 1061596052 /nfs/dbraw/zinc/59/60/52/1061596052.db2.gz FAGUBMDVMHPUCF-LEWJYISDSA-N 0 3 476.629 2.559 20 0 JFADHN Cc1cccc(-c2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2CCC(=O)NC(C)(C)C)n1 ZINC001289954465 1061649562 /nfs/dbraw/zinc/64/95/62/1061649562.db2.gz MIXQREUDYSIAOR-NRFANRHFSA-N 0 3 482.677 2.558 20 0 JFADHN CCCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCN(C)C(C)(C)C1 ZINC001294183928 1061695018 /nfs/dbraw/zinc/69/50/18/1061695018.db2.gz NBWLRSZWOQCOKF-UHFFFAOYSA-N 0 3 490.722 2.809 20 0 JFADHN CC(=O)NCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001286952543 1061696826 /nfs/dbraw/zinc/69/68/26/1061696826.db2.gz SFQBEORJFZTWDU-UHFFFAOYSA-N 0 3 475.037 2.597 20 0 JFADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCCC1 ZINC001286979982 1061810257 /nfs/dbraw/zinc/81/02/57/1061810257.db2.gz JVHDUEQMOYFBPK-UXHICEINSA-N 0 3 485.658 2.875 20 0 JFADHN CCCCN1CCCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCS(=O)(=O)CC1 ZINC001294316390 1061810921 /nfs/dbraw/zinc/81/09/21/1061810921.db2.gz OFQSARHIKXHGAI-JOCHJYFZSA-N 0 3 459.660 2.953 20 0 JFADHN Cc1ccccc1C(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCCCC2)CC1 ZINC001290085568 1061817340 /nfs/dbraw/zinc/81/73/40/1061817340.db2.gz CQKAWLZIXPBARX-UHFFFAOYSA-N 0 3 481.645 2.609 20 0 JFADHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCC2)C1 ZINC001294318748 1061819515 /nfs/dbraw/zinc/81/95/15/1061819515.db2.gz WOLVERNVMQHRCW-UXHICEINSA-N 0 3 482.633 2.542 20 0 JFADHN CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCCN2CCN(CC)CC2)C1 ZINC001294338569 1061880081 /nfs/dbraw/zinc/88/00/81/1061880081.db2.gz VMPYOMODOVGUEH-OAQYLSRUSA-N 0 3 461.699 2.736 20 0 JFADHN CCCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001294349329 1061914048 /nfs/dbraw/zinc/91/40/48/1061914048.db2.gz ORDALJSZMLAWNV-UHFFFAOYSA-N 0 3 461.699 2.734 20 0 JFADHN Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1CCN1CCN(C)C(C)(C)C1 ZINC001290175357 1061922830 /nfs/dbraw/zinc/92/28/30/1061922830.db2.gz YRMZCSWEIPFBEH-HSZRJFAPSA-N 0 3 495.716 2.896 20 0 JFADHN Cc1ccccc1O[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001290199676 1061941987 /nfs/dbraw/zinc/94/19/87/1061941987.db2.gz LVXUMPICDKBSIZ-SFTDATJTSA-N 0 3 484.645 2.882 20 0 JFADHN Cc1ccccc1O[C@H](C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001290204726 1061948198 /nfs/dbraw/zinc/94/81/98/1061948198.db2.gz NNGHMNFQJCLDFP-YADHBBJMSA-N 0 3 468.646 2.995 20 0 JFADHN CCCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001294402451 1061970127 /nfs/dbraw/zinc/97/01/27/1061970127.db2.gz TZXOVOAECKHNPU-OAQYLSRUSA-N 0 3 470.618 2.513 20 0 JFADHN C[C@@H]1CN(CCCCNC(=O)C2=NO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C[C@@H](C)O1 ZINC001294414292 1061980140 /nfs/dbraw/zinc/98/01/40/1061980140.db2.gz JPVZEZIWQKRCTK-PNCHPQGNSA-N 0 3 452.596 2.538 20 0 JFADHN C[C@@H]1CN(CCCCNC(=O)c2ccnc(Cl)c2I)C[C@@H](C)O1 ZINC001294415257 1061982090 /nfs/dbraw/zinc/98/20/90/1061982090.db2.gz YEVWUTZFGITBHD-VXGBXAGGSA-N 0 3 451.736 2.959 20 0 JFADHN C[C@@H]1CN(CCCCNC(=O)c2ccnc(Cl)c2I)C[C@H](C)O1 ZINC001294415256 1061982219 /nfs/dbraw/zinc/98/22/19/1061982219.db2.gz YEVWUTZFGITBHD-TXEJJXNPSA-N 0 3 451.736 2.959 20 0 JFADHN CN1CCN(CCCNC(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1 ZINC001290271930 1062001821 /nfs/dbraw/zinc/00/18/21/1062001821.db2.gz WGNVVZHXTGBPPG-UHFFFAOYSA-N 0 3 451.637 2.625 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(C3CC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287039732 1062006438 /nfs/dbraw/zinc/00/64/38/1062006438.db2.gz NACCBZJYSADFOS-GOSISDBHSA-N 0 3 458.573 2.977 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(C3CCCC3)n2CCN2CCCS2(=O)=O)CC1 ZINC001287041057 1062008308 /nfs/dbraw/zinc/00/83/08/1062008308.db2.gz CSPUBNOWYSKWFF-UHFFFAOYSA-N 0 3 452.669 2.529 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(CC(C)(C)C)n2CCNS(=O)(=O)Cc2ccon2)CC1 ZINC001287041370 1062009087 /nfs/dbraw/zinc/00/90/87/1062009087.db2.gz JIAKRSLWIULHAJ-UHFFFAOYSA-N 0 3 495.694 2.533 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCCCCC2)CC1 ZINC001287041526 1062009149 /nfs/dbraw/zinc/00/91/49/1062009149.db2.gz KNWDEAZHYSUYKW-HXUWFJFHSA-N 0 3 473.666 2.580 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCOCC2(C)C)CC1 ZINC001287041380 1062009361 /nfs/dbraw/zinc/00/93/61/1062009361.db2.gz JOCZFMYXCVRXLD-OAQYLSRUSA-N 0 3 462.683 2.841 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNc2ccccn2)CC1 ZINC001287041579 1062010029 /nfs/dbraw/zinc/01/00/29/1062010029.db2.gz MYQUJFJXZGTTHN-LJQANCHMSA-N 0 3 454.623 2.685 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCOC2CCOCC2)CC1 ZINC001287041801 1062010601 /nfs/dbraw/zinc/01/06/01/1062010601.db2.gz RSXWQISERJRDPD-UHFFFAOYSA-N 0 3 476.666 2.544 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(=O)NCC(F)F)CC1 ZINC001287043017 1062013824 /nfs/dbraw/zinc/01/38/24/1062013824.db2.gz LWTVOHIADDUCSX-UHFFFAOYSA-N 0 3 457.529 2.795 20 0 JFADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 ZINC001287043528 1062015982 /nfs/dbraw/zinc/01/59/82/1062015982.db2.gz GNFBECSXKZJKDC-HXUWFJFHSA-N 0 3 472.609 2.591 20 0 JFADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CCOC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001287044903 1062021463 /nfs/dbraw/zinc/02/14/63/1062021463.db2.gz WXAVJLOJXNJJTC-OAHLLOKOSA-N 0 3 468.528 2.623 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(O)cc2)CC1 ZINC001287044914 1062021613 /nfs/dbraw/zinc/02/16/13/1062021613.db2.gz XFEVTZPNSPRCRG-UHFFFAOYSA-N 0 3 454.600 2.944 20 0 JFADHN Cc1c(C(=O)NC2CCN(CCOC(C)C)CC2)nnn1-c1cccc(Br)c1 ZINC001294502638 1062038216 /nfs/dbraw/zinc/03/82/16/1062038216.db2.gz MYPQFNPLZXABPH-UHFFFAOYSA-N 0 3 450.381 2.957 20 0 JFADHN CCCN(CC)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001294506497 1062044639 /nfs/dbraw/zinc/04/46/39/1062044639.db2.gz KKRWGOZXBCTSOI-HSZRJFAPSA-N 0 3 461.632 2.701 20 0 JFADHN CCCN(CC)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001294514256 1062049424 /nfs/dbraw/zinc/04/94/24/1062049424.db2.gz PQVNTXUDRVMASX-HSZRJFAPSA-N 0 3 461.632 2.701 20 0 JFADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001294519365 1062055743 /nfs/dbraw/zinc/05/57/43/1062055743.db2.gz DCWMLUZJRRIMEP-WOJBJXKFSA-N 0 3 492.665 2.766 20 0 JFADHN CCCN(CC)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294523036 1062059066 /nfs/dbraw/zinc/05/90/66/1062059066.db2.gz QDMQOWKMUGBWFF-IBGZPJMESA-N 0 3 454.040 2.878 20 0 JFADHN CCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001294603273 1062113240 /nfs/dbraw/zinc/11/32/40/1062113240.db2.gz VYWVIICBUOTKPT-GCJKJVERSA-N 0 3 470.618 2.751 20 0 JFADHN CCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001294603274 1062113285 /nfs/dbraw/zinc/11/32/85/1062113285.db2.gz VYWVIICBUOTKPT-PGRDOPGGSA-N 0 3 470.618 2.751 20 0 JFADHN CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc(C3CCCC3)n2CCN2CC=CCC2)CCO1 ZINC001287065562 1062138419 /nfs/dbraw/zinc/13/84/19/1062138419.db2.gz DTJNEGSIXUCVBR-HXUWFJFHSA-N 0 3 460.623 2.928 20 0 JFADHN Cc1nc(Cc2nnc(N3CCN(C(C)C)CC3)n2C[C@H](C(C)C)N2CCOCC2)cs1 ZINC001290430953 1062188672 /nfs/dbraw/zinc/18/86/72/1062188672.db2.gz FGXBZUHTSZXFAI-OAQYLSRUSA-N 0 3 461.680 2.521 20 0 JFADHN Cc1nc(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@@]2(O)CCO[C@H]2C)cs1 ZINC001290434937 1062201250 /nfs/dbraw/zinc/20/12/50/1062201250.db2.gz AFLZPWKVBNIBFL-SBUREZEXSA-N 0 3 462.664 2.732 20 0 JFADHN CCCN1CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294665622 1062217904 /nfs/dbraw/zinc/21/79/04/1062217904.db2.gz ZRQKUGIBCZPTIO-ICSRJNTNSA-N 0 3 480.704 2.769 20 0 JFADHN CCCN1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294665624 1062218034 /nfs/dbraw/zinc/21/80/34/1062218034.db2.gz ZRQKUGIBCZPTIO-UYAOXDASSA-N 0 3 480.704 2.769 20 0 JFADHN CCCN1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001294687142 1062247437 /nfs/dbraw/zinc/24/74/37/1062247437.db2.gz VTDHTRZHHHONRA-JGCGQSQUSA-N 0 3 461.680 2.752 20 0 JFADHN CC(C)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)C(F)(F)F ZINC001287091408 1062284930 /nfs/dbraw/zinc/28/49/30/1062284930.db2.gz ZHNBAERBPKNSON-INIZCTEOSA-N 0 3 481.523 2.672 20 0 JFADHN CC(C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001287099318 1062307859 /nfs/dbraw/zinc/30/78/59/1062307859.db2.gz XMTPICFOIWOYRJ-AWEZNQCLSA-N 0 3 470.437 2.699 20 0 JFADHN CCCN1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1=O ZINC001294733195 1062314355 /nfs/dbraw/zinc/31/43/55/1062314355.db2.gz LBRUHQHFDKLAPM-VXKWHMMOSA-N 0 3 454.619 2.842 20 0 JFADHN CC(C)C(=O)N1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001287108894 1062320368 /nfs/dbraw/zinc/32/03/68/1062320368.db2.gz GJIQHLIJJMMIDN-FQEVSTJZSA-N 0 3 468.631 2.794 20 0 JFADHN CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001287109137 1062321516 /nfs/dbraw/zinc/32/15/16/1062321516.db2.gz HCRQRSIVFOAJBZ-RBBKRZOGSA-N 0 3 472.609 2.919 20 0 JFADHN Cc1nccn1CCn1c(-c2ccccn2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC001290523893 1062324544 /nfs/dbraw/zinc/32/45/44/1062324544.db2.gz UABWYDCELDKYBG-UHFFFAOYSA-N 0 3 478.523 2.636 20 0 JFADHN CCCN1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCc1cnccn1 ZINC001294745714 1062338489 /nfs/dbraw/zinc/33/84/89/1062338489.db2.gz VDSMXWRUDBEJPA-NRFANRHFSA-N 0 3 483.642 2.692 20 0 JFADHN CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001287121890 1062370079 /nfs/dbraw/zinc/37/00/79/1062370079.db2.gz JLMFTQYEEBTCKA-RTWAWAEBSA-N 0 3 489.709 2.507 20 0 JFADHN CC(C)C(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001287122801 1062374607 /nfs/dbraw/zinc/37/46/07/1062374607.db2.gz WZHNWYFXERBSIF-IBGZPJMESA-N 0 3 487.674 2.506 20 0 JFADHN CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001287124290 1062381560 /nfs/dbraw/zinc/38/15/60/1062381560.db2.gz HMNRCLCGZRWWME-VXKWHMMOSA-N 0 3 489.709 2.534 20 0 JFADHN Cc1nc(C)n([C@H]2CCCN(c3nnc(CC(C)C)n3CCN3CCN(C)C(C)(C)C3)C2)n1 ZINC001290583482 1062391674 /nfs/dbraw/zinc/39/16/74/1062391674.db2.gz IKSHGWUPNOYYFJ-NRFANRHFSA-N 0 3 457.671 2.552 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CC2(N(C)C)CCCCC2)n1 ZINC001290586681 1062396688 /nfs/dbraw/zinc/39/66/88/1062396688.db2.gz OSDSAUWBCPMBTN-VQTJNVASSA-N 0 3 479.695 2.662 20 0 JFADHN CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CC=CCC2)C1 ZINC001294791493 1062408129 /nfs/dbraw/zinc/40/81/29/1062408129.db2.gz NGNSGWBQLDASAB-NRFANRHFSA-N 0 3 452.603 2.958 20 0 JFADHN CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001294797499 1062433537 /nfs/dbraw/zinc/43/35/37/1062433537.db2.gz SBZXEGFLRMECBV-XPWALMASSA-N 0 3 495.672 2.837 20 0 JFADHN C[C@@H]1C[C@@H](NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CN1Cc1ccccc1 ZINC001294801246 1062444144 /nfs/dbraw/zinc/44/41/44/1062444144.db2.gz GBXZKBMDLBQBPH-RHSMWYFYSA-N 0 3 456.340 2.824 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](CC(C)C)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)n1 ZINC001290624604 1062490286 /nfs/dbraw/zinc/49/02/86/1062490286.db2.gz CVECDNFYLQFZOI-GOTSBHOMSA-N 0 3 484.693 2.955 20 0 JFADHN CCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001294821974 1062504860 /nfs/dbraw/zinc/50/48/60/1062504860.db2.gz CCZUJHKEWACINF-QFIPXVFZSA-N 0 3 480.592 2.920 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H](c2cccs2)N(C)C)n1 ZINC001290636171 1062518097 /nfs/dbraw/zinc/51/80/97/1062518097.db2.gz UKZWWWPYKOSVTH-RBUKOAKNSA-N 0 3 470.647 2.596 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCCC[C@@H](C)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001290640131 1062525950 /nfs/dbraw/zinc/52/59/50/1062525950.db2.gz RSQCVBZQMXHNJW-DENIHFKCSA-N 0 3 470.666 2.709 20 0 JFADHN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CC3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001287153990 1062533424 /nfs/dbraw/zinc/53/34/24/1062533424.db2.gz VLPFABSXOOUSSY-LJQANCHMSA-N 0 3 459.683 2.559 20 0 JFADHN CC(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCOC1)N1CCCC1 ZINC001287156348 1062543037 /nfs/dbraw/zinc/54/30/37/1062543037.db2.gz INVNZXLJVZWUNL-SIKLNZKXSA-N 0 3 475.659 2.942 20 0 JFADHN CC(C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001287158666 1062552240 /nfs/dbraw/zinc/55/22/40/1062552240.db2.gz GWKXPLYRNKYYAN-VQTJNVASSA-N 0 3 462.639 2.863 20 0 JFADHN CC(C)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001287159518 1062556292 /nfs/dbraw/zinc/55/62/92/1062556292.db2.gz BYPOPMMIPCBIOS-PZJWPPBQSA-N 0 3 463.623 2.752 20 0 JFADHN CCCNC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001294858445 1062558874 /nfs/dbraw/zinc/55/88/74/1062558874.db2.gz BAOLQPGFDWVTIN-FQEVSTJZSA-N 0 3 475.037 2.597 20 0 JFADHN CC(C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001287196983 1062629516 /nfs/dbraw/zinc/62/95/16/1062629516.db2.gz PIUWSPDRIZRMJJ-WOJBJXKFSA-N 0 3 471.581 2.610 20 0 JFADHN Cc1nnc(N(C)CCCNC(=O)C2CCC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001290734569 1062656469 /nfs/dbraw/zinc/65/64/69/1062656469.db2.gz ZFRFQAIGJIBHPK-QHCPKHFHSA-N 0 3 454.619 2.620 20 0 JFADHN Cc1cccc(N2CCN(CCC(=O)NCCN3CCN(c4ccc(F)cc4)CC3)CC2)c1 ZINC001290791404 1062695357 /nfs/dbraw/zinc/69/53/57/1062695357.db2.gz GMYLMCDAZMRYKK-UHFFFAOYSA-N 0 3 453.606 2.585 20 0 JFADHN CC(C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001287222499 1062708612 /nfs/dbraw/zinc/70/86/12/1062708612.db2.gz FXAQSIXAUSROIN-UHFFFAOYSA-N 0 3 475.659 2.543 20 0 JFADHN Cc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCOc1cccc(C(F)(F)F)n1 ZINC001290867012 1062749499 /nfs/dbraw/zinc/74/94/99/1062749499.db2.gz HSYALRBWGJJJIR-OAHLLOKOSA-N 0 3 454.497 2.769 20 0 JFADHN CCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@H](C)N(CC)C[C@H]2C)cn1 ZINC001294969386 1062751843 /nfs/dbraw/zinc/75/18/43/1062751843.db2.gz UYZBXZXRPSCTDE-RBUKOAKNSA-N 0 3 455.607 2.552 20 0 JFADHN Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001290869977 1062754570 /nfs/dbraw/zinc/75/45/70/1062754570.db2.gz NVMPMQOYNIDXIC-FOVJLYNBSA-N 0 3 485.652 2.845 20 0 JFADHN CCN1CCN(CCCNC(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001290870449 1062756203 /nfs/dbraw/zinc/75/62/03/1062756203.db2.gz SZGRPGYYRVUUQX-GCJKJVERSA-N 0 3 453.002 2.921 20 0 JFADHN Cc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1CCOc1ncccc1Cl ZINC001290875732 1062759730 /nfs/dbraw/zinc/75/97/30/1062759730.db2.gz DULROPUSYRJJTI-UHFFFAOYSA-N 0 3 470.021 2.968 20 0 JFADHN CCCO[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CC1 ZINC001295002454 1062789548 /nfs/dbraw/zinc/78/95/48/1062789548.db2.gz OHMYMCKBJUMRAW-MOPGFXCFSA-N 0 3 455.669 2.554 20 0 JFADHN CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC2CC2)CC1 ZINC001295044920 1062843792 /nfs/dbraw/zinc/84/37/92/1062843792.db2.gz DUNVKJXPINBWIV-QUCCMNQESA-N 0 3 462.639 2.960 20 0 JFADHN CC(C)Cc1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001287420421 1062859946 /nfs/dbraw/zinc/85/99/46/1062859946.db2.gz QNCGYRDTGLNOFZ-GJZUVCINSA-N 0 3 486.636 2.656 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001287463424 1062905438 /nfs/dbraw/zinc/90/54/38/1062905438.db2.gz ZSTPUTUBXAOLKB-FQEVSTJZSA-N 0 3 454.619 2.877 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001287466168 1062914908 /nfs/dbraw/zinc/91/49/08/1062914908.db2.gz YAQHXAABRGEBBN-UHFFFAOYSA-N 0 3 450.628 2.691 20 0 JFADHN CC(C)Cc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001287466119 1062914996 /nfs/dbraw/zinc/91/49/96/1062914996.db2.gz WHBGJYBVMLBMHU-OFNKIYASSA-N 0 3 467.662 2.569 20 0 JFADHN C[C@@H]1C[C@@H](C)CN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCc2nccs2)C1 ZINC001291012550 1062917234 /nfs/dbraw/zinc/91/72/34/1062917234.db2.gz AUGUBYSFOHLFJO-GUDVDZBRSA-N 0 3 480.704 2.684 20 0 JFADHN CC(C)Cc1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001287506461 1062954830 /nfs/dbraw/zinc/95/48/30/1062954830.db2.gz SNZCOVJKXUBZHY-ROUUACIJSA-N 0 3 464.565 2.940 20 0 JFADHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc(I)cc1 ZINC001295145556 1062966915 /nfs/dbraw/zinc/96/69/15/1062966915.db2.gz FUBNQVBMKJQYFQ-MJGOQNOKSA-N 0 3 450.320 2.904 20 0 JFADHN CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295157330 1062980878 /nfs/dbraw/zinc/98/08/78/1062980878.db2.gz ZNUCRPNYJAJMSO-VQTJNVASSA-N 0 3 463.648 2.943 20 0 JFADHN CC(C)CCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001287627561 1063008372 /nfs/dbraw/zinc/00/83/72/1063008372.db2.gz DJJMPQSSTMTZBZ-FQEVSTJZSA-N 0 3 458.582 2.785 20 0 JFADHN CC(C)N(C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCS(C)(=O)=O ZINC001291064853 1063008689 /nfs/dbraw/zinc/00/86/89/1063008689.db2.gz PRHBVQYXFROVQL-MRXNPFEDSA-N 0 3 453.678 2.952 20 0 JFADHN CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295215888 1063028988 /nfs/dbraw/zinc/02/89/88/1063028988.db2.gz BIXIKGUVRZFRHJ-ROUUACIJSA-N 0 3 481.613 2.892 20 0 JFADHN CCN(c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295219778 1063038009 /nfs/dbraw/zinc/03/80/09/1063038009.db2.gz VPIGZXSWYCPZOS-MRXNPFEDSA-N 0 3 469.602 2.748 20 0 JFADHN CCN(c1nnc(Cc2ccncc2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295228535 1063050579 /nfs/dbraw/zinc/05/05/79/1063050579.db2.gz QCUNZUUQHQTZQV-PZJWPPBQSA-N 0 3 460.648 2.542 20 0 JFADHN CCN(c1nnc(Cc2ccncc2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295228533 1063050634 /nfs/dbraw/zinc/05/06/34/1063050634.db2.gz QCUNZUUQHQTZQV-FPOVZHCZSA-N 0 3 460.648 2.542 20 0 JFADHN CCN(c1nnc(Cc2ccncc2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295228536 1063050934 /nfs/dbraw/zinc/05/09/34/1063050934.db2.gz QCUNZUUQHQTZQV-TZIWHRDSSA-N 0 3 460.648 2.542 20 0 JFADHN CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295229545 1063051948 /nfs/dbraw/zinc/05/19/48/1063051948.db2.gz YRMWXCGYBSDZIC-VXKWHMMOSA-N 0 3 474.675 2.645 20 0 JFADHN CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001287740574 1063065768 /nfs/dbraw/zinc/06/57/68/1063065768.db2.gz GQZFMPWLGWSCPO-LJQANCHMSA-N 0 3 479.670 2.744 20 0 JFADHN CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 ZINC001287743012 1063070296 /nfs/dbraw/zinc/07/02/96/1063070296.db2.gz RJTKHLRJUNPIGM-IBGZPJMESA-N 0 3 458.582 2.899 20 0 JFADHN C[C@H]1CCCN(C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001291102177 1063075933 /nfs/dbraw/zinc/07/59/33/1063075933.db2.gz IOZUOPSVQKZQOX-OALUTQOASA-N 0 3 467.680 2.696 20 0 JFADHN C[C@@H]1CCCN(C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001291102176 1063076061 /nfs/dbraw/zinc/07/60/61/1063076061.db2.gz IOZUOPSVQKZQOX-MOPGFXCFSA-N 0 3 467.680 2.696 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccnc2)C(C)C)CC1 ZINC001287751639 1063078408 /nfs/dbraw/zinc/07/84/08/1063078408.db2.gz YCQLYXSEJLWHGD-PZJWPPBQSA-N 0 3 477.679 2.501 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2cccnc2)C(C)C)CC1 ZINC001287751636 1063078530 /nfs/dbraw/zinc/07/85/30/1063078530.db2.gz YCQLYXSEJLWHGD-FPOVZHCZSA-N 0 3 477.679 2.501 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccc(F)cc3)C2)CC1 ZINC001287751897 1063079145 /nfs/dbraw/zinc/07/91/45/1063079145.db2.gz ZEYNSMYAOIQFOY-YFVAEKQCSA-N 0 3 478.638 2.924 20 0 JFADHN CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295264975 1063081781 /nfs/dbraw/zinc/08/17/81/1063081781.db2.gz ZWEMKXXJEIGICW-UWHLTILDSA-N 0 3 481.707 2.942 20 0 JFADHN CC(C)CN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@](C)(O)C(C)C)CC1 ZINC001287767482 1063092077 /nfs/dbraw/zinc/09/20/77/1063092077.db2.gz FUOKLPUXDOOAIZ-VWLOTQADSA-N 0 3 470.666 2.637 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CCN1CCC[C@@H](C)C1 ZINC001291127097 1063159024 /nfs/dbraw/zinc/15/90/24/1063159024.db2.gz YQFRHIMKEPQEDB-NHCUHLMSSA-N 0 3 481.645 2.638 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCN1CCC[C@H](C)C1 ZINC001291127115 1063160325 /nfs/dbraw/zinc/16/03/25/1063160325.db2.gz YXALBVUYHAZGNZ-KKSFZXQISA-N 0 3 474.572 2.678 20 0 JFADHN C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)N1CCC(C)CC1 ZINC001291140984 1063213125 /nfs/dbraw/zinc/21/31/25/1063213125.db2.gz HMGNZJOLTABGLI-FQEVSTJZSA-N 0 3 496.660 2.741 20 0 JFADHN C[C@@H](N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCC(C)CC2)CC1)C(F)(F)F ZINC001291142146 1063219137 /nfs/dbraw/zinc/21/91/37/1063219137.db2.gz YWDRLEASWLTBPT-RBUKOAKNSA-N 0 3 485.599 2.707 20 0 JFADHN CC1CCN(CCCn2c(CCOc3ccccc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001291182928 1063278669 /nfs/dbraw/zinc/27/86/69/1063278669.db2.gz AVYHTFJUAOAXNA-JOCHJYFZSA-N 0 3 475.659 2.645 20 0 JFADHN CCN(CC)C(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001295345045 1063279969 /nfs/dbraw/zinc/27/99/69/1063279969.db2.gz RPQAHKZNXFHEJG-BJKOFHAPSA-N 0 3 497.688 2.731 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CCOCC1 ZINC001295365412 1063327674 /nfs/dbraw/zinc/32/76/74/1063327674.db2.gz HWWLBANCDRWYQU-GOSISDBHSA-N 0 3 463.648 2.942 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001295367043 1063331004 /nfs/dbraw/zinc/33/10/04/1063331004.db2.gz SDEVAJSYYOYZTP-AZUAARDMSA-N 0 3 486.646 2.512 20 0 JFADHN C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2N(C)CCCC2(C)C)CCN1CC(F)(F)F ZINC001291195917 1063336044 /nfs/dbraw/zinc/33/60/44/1063336044.db2.gz ANXYNNDLTMFEPC-QZTJIDSGSA-N 0 3 485.599 2.707 20 0 JFADHN C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@](=O)C(C)(C)C)CCN(C2CCC2)C1 ZINC001291198059 1063346941 /nfs/dbraw/zinc/34/69/41/1063346941.db2.gz OZTCCGVYZCAVMF-JTYJAPAGSA-N 0 3 487.674 2.783 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CC2(F)F)CC1 ZINC001295379227 1063350457 /nfs/dbraw/zinc/35/04/57/1063350457.db2.gz LKYQJQMXRGPPJL-KBAYOESNSA-N 0 3 459.607 2.782 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001295380327 1063353175 /nfs/dbraw/zinc/35/31/75/1063353175.db2.gz PKZIDUMLIKBCPA-KGVIQGDOSA-N 0 3 455.669 2.552 20 0 JFADHN COC(=O)[C@@H](CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)Cc1ccccc1OC ZINC001295382959 1063355393 /nfs/dbraw/zinc/35/53/93/1063355393.db2.gz MXXKESWDVLHRAV-JOCHJYFZSA-N 0 3 453.583 2.987 20 0 JFADHN C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)C[C@H](C(F)(F)F)O1 ZINC001291201874 1063358637 /nfs/dbraw/zinc/35/86/37/1063358637.db2.gz CWVXGZIPNBKQRJ-IXDOHACOSA-N 0 3 474.572 2.674 20 0 JFADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1C[C@H](c1cccs1)N(C)C ZINC001291205543 1063364868 /nfs/dbraw/zinc/36/48/68/1063364868.db2.gz KKPNANAYKGAHOG-LVQVYYBASA-N 0 3 472.706 2.583 20 0 JFADHN CCN(CC)[C@H](Cn1c(C(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)c1ccco1 ZINC001295391698 1063375495 /nfs/dbraw/zinc/37/54/95/1063375495.db2.gz HEIRBXGTAFQCIZ-QUCCMNQESA-N 0 3 471.606 2.844 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001295392618 1063377250 /nfs/dbraw/zinc/37/72/50/1063377250.db2.gz ZWIZSWSDUINOOI-KRWDZBQOSA-N 0 3 451.612 2.752 20 0 JFADHN CCN(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](C(N)=O)C1)c1ccco1 ZINC001295397397 1063383570 /nfs/dbraw/zinc/38/35/70/1063383570.db2.gz MOWNQTWGSXCLFS-PKOBYXMFSA-N 0 3 452.559 2.941 20 0 JFADHN CCN(CC)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)=O)CC1)c1ccco1 ZINC001295403586 1063388380 /nfs/dbraw/zinc/38/83/80/1063388380.db2.gz GBJNDMXFGNCVQW-FUDKSRODSA-N 0 3 488.633 2.737 20 0 JFADHN CCN(CC)[C@@H](Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1C(C)(C)C)c1ccsc1 ZINC001295405863 1063395193 /nfs/dbraw/zinc/39/51/93/1063395193.db2.gz UZPZIQOKEQRAAN-FQEVSTJZSA-N 0 3 475.707 2.930 20 0 JFADHN CCN(CC)[C@H](Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1C(C)(C)C)c1ccsc1 ZINC001295405865 1063395226 /nfs/dbraw/zinc/39/52/26/1063395226.db2.gz UZPZIQOKEQRAAN-HXUWFJFHSA-N 0 3 475.707 2.930 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H]1C)c1ccco1 ZINC001295407341 1063398424 /nfs/dbraw/zinc/39/84/24/1063398424.db2.gz SZZOCBKSXWOIKC-HDAAZOAOSA-N 0 3 494.662 2.522 20 0 JFADHN CCN(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccsc1 ZINC001295407559 1063399189 /nfs/dbraw/zinc/39/91/89/1063399189.db2.gz WQKGMOPHDPUQMS-MOPGFXCFSA-N 0 3 462.664 2.963 20 0 JFADHN CCN(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccco1 ZINC001295407707 1063399847 /nfs/dbraw/zinc/39/98/47/1063399847.db2.gz XOXVYFWFBBMZDI-NHCUHLMSSA-N 0 3 458.607 2.953 20 0 JFADHN CCN(CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccco1 ZINC001295408112 1063401291 /nfs/dbraw/zinc/40/12/91/1063401291.db2.gz YXZJUMGFVRVXQX-UNMCSNQZSA-N 0 3 484.576 2.635 20 0 JFADHN C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001291229785 1063482438 /nfs/dbraw/zinc/48/24/38/1063482438.db2.gz OFOIDIPLYNREMO-AEFFLSMTSA-N 0 3 467.540 2.522 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OC)cc2F)CC1 ZINC001295479379 1063487653 /nfs/dbraw/zinc/48/76/53/1063487653.db2.gz DIBCISLKPPPVLR-UHFFFAOYSA-N 0 3 460.598 2.762 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2Cc2sccc2C)CC1 ZINC001295481903 1063495649 /nfs/dbraw/zinc/49/56/49/1063495649.db2.gz BVJDUQDMRYICDZ-UHFFFAOYSA-N 0 3 453.616 2.749 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCc2ccsc2)CC1 ZINC001295482178 1063496914 /nfs/dbraw/zinc/49/69/14/1063496914.db2.gz FJARBZAOAVRRJZ-UHFFFAOYSA-N 0 3 453.616 2.635 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@@](C)(O)CC)CC1 ZINC001295482189 1063496979 /nfs/dbraw/zinc/49/69/79/1063496979.db2.gz FUZAJOMVLRYSIK-SANMLTNESA-N 0 3 479.629 2.645 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2Cc2cnc(C)s2)CC1 ZINC001295482237 1063497898 /nfs/dbraw/zinc/49/78/98/1063497898.db2.gz GNDQNSZIGKPEHM-UHFFFAOYSA-N 0 3 483.642 2.757 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2=CCCOC2)CC1 ZINC001295482429 1063501329 /nfs/dbraw/zinc/50/13/29/1063501329.db2.gz NWSIZTYDIVRZPP-UHFFFAOYSA-N 0 3 473.021 2.936 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2CCOC(C)(C)C)CC1 ZINC001295482541 1063502367 /nfs/dbraw/zinc/50/23/67/1063502367.db2.gz SGOBHADINRKYJM-UHFFFAOYSA-N 0 3 472.634 2.759 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC(C)C)nc2)CC1 ZINC001295482521 1063502425 /nfs/dbraw/zinc/50/24/25/1063502425.db2.gz ROVGDLJBAPXMOU-UHFFFAOYSA-N 0 3 492.628 2.561 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC[C@](C)(O)c2ccccc2)CC1 ZINC001295482595 1063502872 /nfs/dbraw/zinc/50/28/72/1063502872.db2.gz UOUIUJZLXIONNC-MHZLTWQESA-N 0 3 491.640 2.628 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)C)CC1 ZINC001295482576 1063502933 /nfs/dbraw/zinc/50/29/33/1063502933.db2.gz TZFWXORVPFHQPK-UHFFFAOYSA-N 0 3 458.607 2.609 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001295482734 1063505654 /nfs/dbraw/zinc/50/56/54/1063505654.db2.gz YXXZTWAIJPWPSK-NFBKMPQASA-N 0 3 472.634 2.898 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001295482737 1063505695 /nfs/dbraw/zinc/50/56/95/1063505695.db2.gz YXXZTWAIJPWPSK-REWPJTCUSA-N 0 3 472.634 2.898 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(C)c2)CC1 ZINC001295483091 1063506470 /nfs/dbraw/zinc/50/64/70/1063506470.db2.gz BSZDVYNTMGVFCY-QHCPKHFHSA-N 0 3 468.646 2.714 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(Cl)c2C)CC1 ZINC001295483378 1063506978 /nfs/dbraw/zinc/50/69/78/1063506978.db2.gz CRVGCNSBCFHRHP-FQEVSTJZSA-N 0 3 475.037 2.783 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2Cc2sc(C)nc2C)CC1 ZINC001295484397 1063511185 /nfs/dbraw/zinc/51/11/85/1063511185.db2.gz NCVGKYPIRIZHCW-UHFFFAOYSA-N 0 3 482.658 2.761 20 0 JFADHN C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccc(F)cc2)N(C)C)CCN1CC(F)(F)F ZINC001291241231 1063511318 /nfs/dbraw/zinc/51/13/18/1063511318.db2.gz LSAPJHFJJKJLTG-ATZDWAIDSA-N 0 3 497.541 2.744 20 0 JFADHN C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CCN1CC(F)(F)F ZINC001291241233 1063511402 /nfs/dbraw/zinc/51/14/02/1063511402.db2.gz LSAPJHFJJKJLTG-LZQZEXGQSA-N 0 3 497.541 2.744 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](OC)c2ccccc2)CC1 ZINC001295484714 1063512706 /nfs/dbraw/zinc/51/27/06/1063512706.db2.gz QPHPITYQUYWXBC-DHIUTWEWSA-N 0 3 484.645 2.898 20 0 JFADHN C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)N(C)C)CCN1CC(F)(F)F ZINC001291241791 1063513963 /nfs/dbraw/zinc/51/39/63/1063513963.db2.gz SPDDECAXAMUECV-NZSAHSFTSA-N 0 3 479.551 2.605 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2c(C)coc2C)CC1 ZINC001295490656 1063517380 /nfs/dbraw/zinc/51/73/80/1063517380.db2.gz CRAZWJGIZXFTJP-UHFFFAOYSA-N 0 3 465.602 2.512 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2CCc2cc(C(F)(F)F)ccn2)CC1 ZINC001295490880 1063518512 /nfs/dbraw/zinc/51/85/12/1063518512.db2.gz IABQEUXVJNENHJ-UHFFFAOYSA-N 0 3 493.578 2.878 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccnc(N3CCCCC3)c2)CC1 ZINC001295490936 1063520105 /nfs/dbraw/zinc/52/01/05/1063520105.db2.gz JYQDXUWJQQZMHE-UHFFFAOYSA-N 0 3 496.704 2.901 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(F)cc2)CC1 ZINC001295490939 1063520175 /nfs/dbraw/zinc/52/01/75/1063520175.db2.gz JZBLJWXJCASFAY-UHFFFAOYSA-N 0 3 496.635 2.512 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC2(O)CCCCC2)CC1 ZINC001295491322 1063522420 /nfs/dbraw/zinc/52/24/20/1063522420.db2.gz SGPNPHGXSJRAHY-UHFFFAOYSA-N 0 3 460.667 2.696 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3OC)n2CC2CC(F)(F)C2)CC1 ZINC001295491870 1063524785 /nfs/dbraw/zinc/52/47/85/1063524785.db2.gz YAYLMIYPOBGUIY-UHFFFAOYSA-N 0 3 490.599 2.913 20 0 JFADHN C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)CCCO1 ZINC001291275019 1063581833 /nfs/dbraw/zinc/58/18/33/1063581833.db2.gz LHAHVEPEFVJZNN-OAQYLSRUSA-N 0 3 456.635 2.541 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001295563499 1063596915 /nfs/dbraw/zinc/59/69/15/1063596915.db2.gz MLSHATXGUQVSRD-LVCYWYKZSA-N 0 3 477.631 2.534 20 0 JFADHN C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN2CCN(C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001291286681 1063633635 /nfs/dbraw/zinc/63/36/35/1063633635.db2.gz NILOQZWZOLUJNA-WOJBJXKFSA-N 0 3 491.681 2.601 20 0 JFADHN C[C@H]1CN(CCCn2c(CC(C)(C)C)nnc2N2CCCN(Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC001291292566 1063677086 /nfs/dbraw/zinc/67/70/86/1063677086.db2.gz GHLFFOPATOYWEZ-VXKWHMMOSA-N 0 3 486.709 2.812 20 0 JFADHN C[C@@H]1COCCN1CCn1c(CC(C)(C)C)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC001291308610 1063730961 /nfs/dbraw/zinc/73/09/61/1063730961.db2.gz PVLCKUXLJMNFFA-XMMPIXPASA-N 0 3 497.732 2.841 20 0 JFADHN CCN(CCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(C)(C)C)CC1)S(C)(=O)=O ZINC001295814314 1063813796 /nfs/dbraw/zinc/81/37/96/1063813796.db2.gz KAJFODAHCVXORW-UHFFFAOYSA-N 0 3 480.654 2.600 20 0 JFADHN CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2oncc2C1)C(C)C ZINC001295827049 1063836117 /nfs/dbraw/zinc/83/61/17/1063836117.db2.gz JQGQMOFMPNXYKR-UHFFFAOYSA-N 0 3 458.588 2.630 20 0 JFADHN CCC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001291345754 1063841339 /nfs/dbraw/zinc/84/13/39/1063841339.db2.gz CYXSOXSMISOHOV-GOTSBHOMSA-N 0 3 495.672 2.761 20 0 JFADHN CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001295829731 1063842212 /nfs/dbraw/zinc/84/22/12/1063842212.db2.gz JTVPUOJKZWDAMK-KRWDZBQOSA-N 0 3 455.028 2.737 20 0 JFADHN CCN(CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1)CCC(F)(F)F ZINC001295830143 1063844251 /nfs/dbraw/zinc/84/42/51/1063844251.db2.gz NJCWTTIAMANTQJ-INIZCTEOSA-N 0 3 498.550 2.904 20 0 JFADHN CCN(CCn1c(-c2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)CCC(F)(F)F ZINC001295833885 1063849394 /nfs/dbraw/zinc/84/93/94/1063849394.db2.gz ITSINODIYSHFGH-KRWDZBQOSA-N 0 3 488.580 2.690 20 0 JFADHN CC[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001291361549 1063875062 /nfs/dbraw/zinc/87/50/62/1063875062.db2.gz OMFOHHGHWQUWHU-SBUREZEXSA-N 0 3 465.545 2.866 20 0 JFADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COc2ccccc2)C1)C(C)C ZINC001295852624 1063877358 /nfs/dbraw/zinc/87/73/58/1063877358.db2.gz KAZSSPOXNCXDTM-RTWAWAEBSA-N 0 3 475.659 2.816 20 0 JFADHN CC[N@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1)C(C)C ZINC001295852716 1063877877 /nfs/dbraw/zinc/87/78/77/1063877877.db2.gz LDCODHFTSYETEZ-HXUWFJFHSA-N 0 3 470.618 2.570 20 0 JFADHN CC[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1)C(C)C ZINC001295852716 1063877887 /nfs/dbraw/zinc/87/78/87/1063877887.db2.gz LDCODHFTSYETEZ-HXUWFJFHSA-N 0 3 470.618 2.570 20 0 JFADHN CC[N@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1)C(C)C ZINC001295852714 1063878003 /nfs/dbraw/zinc/87/80/03/1063878003.db2.gz LDCODHFTSYETEZ-FQEVSTJZSA-N 0 3 470.618 2.570 20 0 JFADHN CC[N@@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1)C(C)C ZINC001295852714 1063878009 /nfs/dbraw/zinc/87/80/09/1063878009.db2.gz LDCODHFTSYETEZ-FQEVSTJZSA-N 0 3 470.618 2.570 20 0 JFADHN CS[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2F)c3=O)C[C@H]1N(C)C ZINC001295853526 1063880931 /nfs/dbraw/zinc/88/09/31/1063880931.db2.gz YUEJQBQTHSGVHX-MOPGFXCFSA-N 0 3 458.584 2.931 20 0 JFADHN CCN(CCn1c(Cc2ccc(F)cc2)nnc1N1CCN2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001295854133 1063882341 /nfs/dbraw/zinc/88/23/41/1063882341.db2.gz DECIEAYSINSAEE-FQEVSTJZSA-N 0 3 484.542 2.803 20 0 JFADHN CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001291387637 1063935730 /nfs/dbraw/zinc/93/57/30/1063935730.db2.gz NKILHXREVPWBPM-HOYKHHGWSA-N 0 3 490.052 2.535 20 0 JFADHN CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001291389176 1063938846 /nfs/dbraw/zinc/93/88/46/1063938846.db2.gz IAEDSGVHOXUJPV-UNVFRBQDSA-N 0 3 487.645 2.918 20 0 JFADHN CCn1cc([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)N(C)Cc3ccccc3)CCO2)cn1 ZINC001295896760 1063950255 /nfs/dbraw/zinc/95/02/55/1063950255.db2.gz KDQVSEHMATWWCN-REWPJTCUSA-N 0 3 494.644 2.731 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N(C)c2ccccc2)C[C@@H]1C ZINC001295975486 1064019798 /nfs/dbraw/zinc/01/97/98/1064019798.db2.gz CKKRRYQYMUPKNI-ACRUOGEOSA-N 0 3 453.635 2.958 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(C)CN(C)C2=O)C[C@H]1C ZINC001295975932 1064020714 /nfs/dbraw/zinc/02/07/14/1064020714.db2.gz HAGSAHQVJDQHNK-SYJLOODJSA-N 0 3 462.545 2.944 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001295975828 1064020806 /nfs/dbraw/zinc/02/08/06/1064020806.db2.gz FJSJUQILEXAQFO-GJZGRUSLSA-N 0 3 453.513 2.797 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)NCc2ccccc2)C[C@H]1C ZINC001295976048 1064021137 /nfs/dbraw/zinc/02/11/37/1064021137.db2.gz CBNBSDBYYTYIAW-UMTXDNHDSA-N 0 3 498.672 2.944 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3[nH]c(C)cc3c2)C[C@H]1C ZINC001295976387 1064022087 /nfs/dbraw/zinc/02/20/87/1064022087.db2.gz CKBJWGZSMVVZAZ-FGTMMUONSA-N 0 3 473.647 2.645 20 0 JFADHN CC[C@H](C)c1nnc(N(C)CCN2CCOCC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001291457309 1064023432 /nfs/dbraw/zinc/02/34/32/1064023432.db2.gz IWPROCPGDVXSSU-UPVQGACJSA-N 0 3 470.662 2.851 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](F)COC)C[C@H]1C ZINC001295977322 1064023470 /nfs/dbraw/zinc/02/34/70/1064023470.db2.gz KERHOWAPXOVGOA-GJYPPUQNSA-N 0 3 466.989 2.765 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](F)COC)C[C@@H]1C ZINC001295977329 1064023493 /nfs/dbraw/zinc/02/34/93/1064023493.db2.gz KERHOWAPXOVGOA-TXPKVOOTSA-N 0 3 466.989 2.765 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(C)nc2)C[C@H]1C ZINC001295977591 1064023971 /nfs/dbraw/zinc/02/39/71/1064023971.db2.gz OTTYQWRDNIKROX-UXHICEINSA-N 0 3 497.669 2.866 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CSCCS2)C[C@H]1C ZINC001295977873 1064024279 /nfs/dbraw/zinc/02/42/79/1064024279.db2.gz LYIMZWPFTCGQLR-IKGGRYGDSA-N 0 3 461.661 2.693 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCOCCS(C)(=O)=O)C[C@@H]1C ZINC001295979130 1064027606 /nfs/dbraw/zinc/02/76/06/1064027606.db2.gz UWTSWQJDAISSLK-DLBZAZTESA-N 0 3 470.039 2.579 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCOCC2CCOCC2)C[C@H]1C ZINC001295980096 1064029078 /nfs/dbraw/zinc/02/90/78/1064029078.db2.gz QJLPJMLWTJKYNH-UXHICEINSA-N 0 3 485.633 2.678 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(C)CCCO2)C[C@@H]1C ZINC001295980346 1064030139 /nfs/dbraw/zinc/03/01/39/1064030139.db2.gz YQBJKLSKZCOZCN-JXQFQVJHSA-N 0 3 490.674 2.683 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(C)CCCO2)C[C@H]1C ZINC001295980345 1064030190 /nfs/dbraw/zinc/03/01/90/1064030190.db2.gz YQBJKLSKZCOZCN-IMWIBFENSA-N 0 3 490.674 2.683 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCc2ccccc2)C[C@H]1C ZINC001295981348 1064032160 /nfs/dbraw/zinc/03/21/60/1064032160.db2.gz RJPVOENBXIXXLU-HSALFYBXSA-N 0 3 462.664 2.830 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCc2ccccc2)C[C@H]1C ZINC001295981347 1064032221 /nfs/dbraw/zinc/03/22/21/1064032221.db2.gz RJPVOENBXIXXLU-AABGKKOBSA-N 0 3 462.664 2.830 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)Sc2ccccc2)C[C@@H]1C ZINC001295982453 1064035115 /nfs/dbraw/zinc/03/51/15/1064035115.db2.gz SYHUPKTZWKTPAA-OKYOBFRVSA-N 0 3 480.704 2.988 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001295983157 1064037064 /nfs/dbraw/zinc/03/70/64/1064037064.db2.gz YJSLAMHKDBWRAC-IRXDYDNUSA-N 0 3 482.555 2.729 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001295983172 1064038090 /nfs/dbraw/zinc/03/80/90/1064038090.db2.gz YOMJFHCIJOADGG-VJBWXMMDSA-N 0 3 496.704 2.546 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2Cc2nncn2-c2ccccc2)C[C@@H]1C ZINC001295983543 1064039431 /nfs/dbraw/zinc/03/94/31/1064039431.db2.gz WYZDKVPOABQXJM-UFYCRDLUSA-N 0 3 468.606 2.550 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)N2CCOCC2)C[C@@H]1C ZINC001295984095 1064040747 /nfs/dbraw/zinc/04/07/47/1064040747.db2.gz KXJUAFBWTIELQW-UFYCRDLUSA-N 0 3 472.634 2.602 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCC(=O)N2)C[C@@H]1C ZINC001295984051 1064040798 /nfs/dbraw/zinc/04/07/98/1064040798.db2.gz KIVRTGVDJFGENU-YQQAZPJKSA-N 0 3 491.434 2.914 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCNS(=O)(=O)CC)C[C@@H]1C ZINC001295985491 1064043043 /nfs/dbraw/zinc/04/30/43/1064043043.db2.gz RGEYWRANCHTEJM-IRXDYDNUSA-N 0 3 469.055 2.847 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCNS(=O)(=O)CC)C[C@H]1C ZINC001295985493 1064043059 /nfs/dbraw/zinc/04/30/59/1064043059.db2.gz RGEYWRANCHTEJM-SJORKVTESA-N 0 3 469.055 2.847 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)c2ccc(C)s2)C[C@H]1C ZINC001295990177 1064045567 /nfs/dbraw/zinc/04/55/67/1064045567.db2.gz FGZJOXPOJXMEQL-SJORKVTESA-N 0 3 489.671 2.607 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCOC(C)(C)C)C[C@H]1C ZINC001295991802 1064046307 /nfs/dbraw/zinc/04/63/07/1064046307.db2.gz BOPKQXZKUCDDQL-QZTJIDSGSA-N 0 3 467.618 2.926 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCOC(C)(C)C)C[C@H]1C ZINC001295991800 1064046397 /nfs/dbraw/zinc/04/63/97/1064046397.db2.gz BOPKQXZKUCDDQL-MSOLQXFVSA-N 0 3 467.618 2.926 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2c(OC)cc(OC)cc2OC)C[C@@H]1C ZINC001295992739 1064047426 /nfs/dbraw/zinc/04/74/26/1064047426.db2.gz FNIKRIOPJRCEKO-ZWKOTPCHSA-N 0 3 483.617 2.866 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)C(C)C)C[C@@H]1C ZINC001295993486 1064048801 /nfs/dbraw/zinc/04/88/01/1064048801.db2.gz HVJCVUMMHRLLTK-PMACEKPBSA-N 0 3 464.618 2.822 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001295993525 1064049370 /nfs/dbraw/zinc/04/93/70/1064049370.db2.gz IJRYMAOWPSTXNQ-SJORKVTESA-N 0 3 456.595 2.949 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccccc2OCCOC)C[C@H]1C ZINC001295994073 1064050144 /nfs/dbraw/zinc/05/01/44/1064050144.db2.gz IULLLQRCFDVLGN-RTBURBONSA-N 0 3 451.575 2.728 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccnc3)n2Cc2ccc(OCCO)c(OC)c2)C[C@@H]1C ZINC001295994234 1064050269 /nfs/dbraw/zinc/05/02/69/1064050269.db2.gz VBZIJTBJWBFACV-RBUKOAKNSA-N 0 3 466.586 2.687 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001291497444 1064050406 /nfs/dbraw/zinc/05/04/06/1064050406.db2.gz XKAKFQNBDVABSI-UWJYYQICSA-N 0 3 485.608 2.829 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCCCn2cc(Br)cn2)C[C@H]1C ZINC001295994748 1064050568 /nfs/dbraw/zinc/05/05/68/1064050568.db2.gz JKARCAZWKWBMAT-SOLBZPMBSA-N 0 3 493.454 2.588 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(C)(C)O)C[C@H]1C ZINC001295995765 1064051431 /nfs/dbraw/zinc/05/14/31/1064051431.db2.gz JKKFMJSHAIOOOT-MOPGFXCFSA-N 0 3 456.639 2.532 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(C)(C)O)C[C@@H]1C ZINC001295995774 1064051526 /nfs/dbraw/zinc/05/15/26/1064051526.db2.gz JKKFMJSHAIOOOT-RBUKOAKNSA-N 0 3 456.639 2.532 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC001295996167 1064052184 /nfs/dbraw/zinc/05/21/84/1064052184.db2.gz MPDXMUYSAGJQJW-IAGOWNOFSA-N 0 3 469.590 2.672 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)C[C@H]1C ZINC001295997412 1064053158 /nfs/dbraw/zinc/05/31/58/1064053158.db2.gz QQLOJENOMGGUBS-VKJFTORMSA-N 0 3 465.524 2.805 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)COc2ccccc2OC)C[C@H]1C ZINC001295997826 1064054374 /nfs/dbraw/zinc/05/43/74/1064054374.db2.gz SJBGHBZIFWDMKT-YRPNKDGESA-N 0 3 470.618 2.872 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCCCOC)C[C@H]1C ZINC001295998694 1064055608 /nfs/dbraw/zinc/05/56/08/1064055608.db2.gz VAVOSVWGKNTLBQ-QZTJIDSGSA-N 0 3 453.591 2.538 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC001295999514 1064056566 /nfs/dbraw/zinc/05/65/66/1064056566.db2.gz BGLMNKSCNVETIZ-ZWKOTPCHSA-N 0 3 451.550 2.961 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CCCNC(=O)c2cccc(O)c2)C[C@@H]1C ZINC001296000811 1064056983 /nfs/dbraw/zinc/05/69/83/1064056983.db2.gz FAHNZOCKDNNYPI-VQTJNVASSA-N 0 3 477.613 2.709 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)nc2OC)C[C@H]1C ZINC001296003662 1064058973 /nfs/dbraw/zinc/05/89/73/1064058973.db2.gz VHXROIAJGRGEDF-MSOLQXFVSA-N 0 3 451.575 2.643 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cccc(C)c2)C[C@H]1C ZINC001296004255 1064059310 /nfs/dbraw/zinc/05/93/10/1064059310.db2.gz YDBZHHZIZFHPHK-NHCUHLMSSA-N 0 3 461.614 2.921 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001296007634 1064061144 /nfs/dbraw/zinc/06/11/44/1064061144.db2.gz FILVQVXZZJCZOS-RBUKOAKNSA-N 0 3 466.634 2.598 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CCN2CCOC[C@H]2C)C[C@H]1C ZINC001296007646 1064061353 /nfs/dbraw/zinc/06/13/53/1064061353.db2.gz FMBJPCRNCGONAB-BHIFYINESA-N 0 3 456.635 2.539 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CC3CCCC3)n2Cc2cccc(S(=O)(=O)NC)c2)C[C@@H]1C ZINC001296008384 1064062454 /nfs/dbraw/zinc/06/24/54/1064062454.db2.gz HJYKTHIEDGKPIM-OALUTQOASA-N 0 3 474.675 2.886 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296008962 1064063486 /nfs/dbraw/zinc/06/34/86/1064063486.db2.gz COPDJVWIPMDYLX-QZTJIDSGSA-N 0 3 464.561 2.774 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@@H]1C ZINC001296009311 1064063869 /nfs/dbraw/zinc/06/38/69/1064063869.db2.gz JRJJUDHCHHTXOL-ABSDTBQOSA-N 0 3 459.664 2.811 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)N2CCOCC2)C[C@@H]1C ZINC001296009656 1064065789 /nfs/dbraw/zinc/06/57/89/1064065789.db2.gz IBWHAZZNPDLWJA-LEWJYISDSA-N 0 3 486.661 2.895 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccsc3)n2CCNS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC001296009734 1064066309 /nfs/dbraw/zinc/06/63/09/1064066309.db2.gz MNOKMCCRABWGHM-RBUKOAKNSA-N 0 3 488.683 2.828 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccsc3)n2CCNS(=O)(=O)c2ccccc2)C[C@H]1C ZINC001296009735 1064066470 /nfs/dbraw/zinc/06/64/70/1064066470.db2.gz MNOKMCCRABWGHM-RTBURBONSA-N 0 3 488.683 2.828 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2nnc(C)s2)C[C@@H]1C ZINC001296009812 1064067011 /nfs/dbraw/zinc/06/70/11/1064067011.db2.gz IHENTXCBQOWWQC-LSDHHAIUSA-N 0 3 474.660 2.591 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC(Nc3cccnn3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291514642 1064068067 /nfs/dbraw/zinc/06/80/67/1064068067.db2.gz WSKHFEGCKFUUOJ-FPOVZHCZSA-N 0 3 483.665 2.605 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CCN2CCSCC2)C[C@@H]1C ZINC001296010351 1064068132 /nfs/dbraw/zinc/06/81/32/1064068132.db2.gz BIOUQXKKSRWIGD-OALUTQOASA-N 0 3 462.639 2.964 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001291522059 1064073920 /nfs/dbraw/zinc/07/39/20/1064073920.db2.gz YBUONBCNZWGPFE-LEWJYISDSA-N 0 3 459.683 2.514 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001291522061 1064073958 /nfs/dbraw/zinc/07/39/58/1064073958.db2.gz YBUONBCNZWGPFE-RTWAWAEBSA-N 0 3 459.683 2.514 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OCCOC)C[C@@H]1C ZINC001296013591 1064074495 /nfs/dbraw/zinc/07/44/95/1064074495.db2.gz WNFFRVOAFFQEFQ-LEWJYISDSA-N 0 3 482.633 2.527 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291524096 1064074690 /nfs/dbraw/zinc/07/46/90/1064074690.db2.gz GBYKPACWKSLYOR-KNQAVFIVSA-N 0 3 482.677 2.758 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2Cc2conc2COC)C[C@@H]1C ZINC001296016992 1064078258 /nfs/dbraw/zinc/07/82/58/1064078258.db2.gz WNLYRBDTIFYIID-ROUUACIJSA-N 0 3 470.574 2.967 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CCN2CCOCC2(C)C)C[C@H]1C ZINC001296017307 1064079141 /nfs/dbraw/zinc/07/91/41/1064079141.db2.gz XWWIQENSQBOMPE-RTWAWAEBSA-N 0 3 486.661 2.895 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2CCN2CCOCC2(C)C)C[C@H]1C ZINC001296017306 1064079225 /nfs/dbraw/zinc/07/92/25/1064079225.db2.gz XWWIQENSQBOMPE-NHCUHLMSSA-N 0 3 486.661 2.895 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291541489 1064084309 /nfs/dbraw/zinc/08/43/09/1064084309.db2.gz GKLPMDHHLXJIQX-BWAGFHJFSA-N 0 3 485.681 2.784 20 0 JFADHN CCN1CC[C@@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296035849 1064094894 /nfs/dbraw/zinc/09/48/94/1064094894.db2.gz GFKHHQRJIWZEPZ-SJLPKXTDSA-N 0 3 496.475 2.981 20 0 JFADHN CCN1CC[C@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001296035850 1064095052 /nfs/dbraw/zinc/09/50/52/1064095052.db2.gz GFKHHQRJIWZEPZ-WMZOPIPTSA-N 0 3 496.475 2.981 20 0 JFADHN CC[N@@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC001296048625 1064108355 /nfs/dbraw/zinc/10/83/55/1064108355.db2.gz XKELZJFGIVOFKI-LJQANCHMSA-N 0 3 454.619 2.877 20 0 JFADHN CC[N@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC001296048625 1064108358 /nfs/dbraw/zinc/10/83/58/1064108358.db2.gz XKELZJFGIVOFKI-LJQANCHMSA-N 0 3 454.619 2.877 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291582575 1064114021 /nfs/dbraw/zinc/11/40/21/1064114021.db2.gz XXCZFPKGLLENNE-SFTDATJTSA-N 0 3 484.645 2.961 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291582575 1064114031 /nfs/dbraw/zinc/11/40/31/1064114031.db2.gz XXCZFPKGLLENNE-SFTDATJTSA-N 0 3 484.645 2.961 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1cc(C)cc(OC)c1 ZINC001291582825 1064114916 /nfs/dbraw/zinc/11/49/16/1064114916.db2.gz MOUDJYQMLMIQJN-FQEVSTJZSA-N 0 3 454.619 2.901 20 0 JFADHN CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001296056345 1064117553 /nfs/dbraw/zinc/11/75/53/1064117553.db2.gz KXSDQPBIWCDWEL-XRSWDHFMSA-N 0 3 481.626 2.784 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1CCn1c2ccccc2[nH]c1=O ZINC001291583988 1064118137 /nfs/dbraw/zinc/11/81/37/1064118137.db2.gz XRNPGJJPJJKWPB-LJQANCHMSA-N 0 3 482.633 2.538 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001291598762 1064133950 /nfs/dbraw/zinc/13/39/50/1064133950.db2.gz CTCDAPQKAGIESS-TUNNFDKTSA-N 0 3 454.619 2.750 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001296074532 1064140519 /nfs/dbraw/zinc/14/05/19/1064140519.db2.gz LIQYYLJOEUSKCV-BPJXYHRLSA-N 0 3 472.659 2.762 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2OC)CC1 ZINC001296075215 1064142733 /nfs/dbraw/zinc/14/27/33/1064142733.db2.gz NLZXXVZBSMLAAT-HXUWFJFHSA-N 0 3 469.634 2.626 20 0 JFADHN CCN1CCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001296075143 1064142760 /nfs/dbraw/zinc/14/27/60/1064142760.db2.gz NKSXLJTZEFCGAE-BZSNNMDCSA-N 0 3 473.540 2.834 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001296081200 1064148678 /nfs/dbraw/zinc/14/86/78/1064148678.db2.gz QPGYUQQKEKSWGP-AZUAARDMSA-N 0 3 489.020 2.735 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001296081203 1064148699 /nfs/dbraw/zinc/14/86/99/1064148699.db2.gz QPGYUQQKEKSWGP-UYAOXDASSA-N 0 3 489.020 2.735 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001296081251 1064148776 /nfs/dbraw/zinc/14/87/76/1064148776.db2.gz RWPUHZVSVCFWTA-QFIPXVFZSA-N 0 3 467.618 2.690 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001291638075 1064185184 /nfs/dbraw/zinc/18/51/84/1064185184.db2.gz FDEVAPASJDTNEQ-FQEVSTJZSA-N 0 3 460.667 2.989 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCc1cccc(C(=O)NC)c1 ZINC001291638871 1064186012 /nfs/dbraw/zinc/18/60/12/1064186012.db2.gz KBBVZVJYFXKBED-PZJWPPBQSA-N 0 3 454.619 2.552 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCc1cccc(C(=O)NC)c1 ZINC001291638869 1064186044 /nfs/dbraw/zinc/18/60/44/1064186044.db2.gz KBBVZVJYFXKBED-CTNGQTDRSA-N 0 3 454.619 2.552 20 0 JFADHN CCN(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCCN(CC)C(=O)C1)c1ccco1 ZINC001296113552 1064195422 /nfs/dbraw/zinc/19/54/22/1064195422.db2.gz VLQJIRRJPLTTCQ-OAQYLSRUSA-N 0 3 465.602 2.999 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccon2)CC1 ZINC001296120103 1064207789 /nfs/dbraw/zinc/20/77/89/1064207789.db2.gz DRUFOSKHUNXFPW-MRXNPFEDSA-N 0 3 491.438 2.697 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296120080 1064207850 /nfs/dbraw/zinc/20/78/50/1064207850.db2.gz DJRZTKJWUAXVKU-MJGOQNOKSA-N 0 3 464.561 2.798 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC2CCOCC2)CC1 ZINC001296120121 1064208233 /nfs/dbraw/zinc/20/82/33/1064208233.db2.gz FEBMFLLGEFBZDT-KRWDZBQOSA-N 0 3 494.482 2.925 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296121491 1064212691 /nfs/dbraw/zinc/21/26/91/1064212691.db2.gz PAIKCJQRIRTFAN-GOSISDBHSA-N 0 3 488.587 2.942 20 0 JFADHN CC[C@H](C)c1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001291669989 1064212874 /nfs/dbraw/zinc/21/28/74/1064212874.db2.gz NDIKMFUQZPHRBO-UFYCRDLUSA-N 0 3 474.654 2.902 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001291672385 1064214068 /nfs/dbraw/zinc/21/40/68/1064214068.db2.gz QVHVLUKGDZZUBV-XXBNENTESA-N 0 3 468.646 2.970 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296122309 1064214612 /nfs/dbraw/zinc/21/46/12/1064214612.db2.gz VMWFNQNCXCPLKO-VMBXEPDQSA-N 0 3 474.625 2.790 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296122631 1064215293 /nfs/dbraw/zinc/21/52/93/1064215293.db2.gz YUQXMIZEXVAHIZ-WOJBJXKFSA-N 0 3 463.671 2.873 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCC(OCCOC)CC2)CC1 ZINC001296123522 1064215648 /nfs/dbraw/zinc/21/56/48/1064215648.db2.gz APPIIWNETRVDIX-NRFANRHFSA-N 0 3 456.635 2.603 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cc(C)nc4ccccc43)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001296122895 1064215787 /nfs/dbraw/zinc/21/57/87/1064215787.db2.gz ZVXRMMPBXQMZEZ-WOJBJXKFSA-N 0 3 478.645 2.528 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001296124178 1064216617 /nfs/dbraw/zinc/21/66/17/1064216617.db2.gz FYBDUGVCPZOLGR-IBGZPJMESA-N 0 3 497.585 2.994 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N(C)CC(F)(F)F)CC1 ZINC001296124393 1064217166 /nfs/dbraw/zinc/21/71/66/1064217166.db2.gz HBQMDHJZKXTPSW-INIZCTEOSA-N 0 3 470.540 2.987 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@H](OCCOC)C2)CC1 ZINC001296125227 1064218336 /nfs/dbraw/zinc/21/83/36/1064218336.db2.gz LKZUGSXZNLMZQA-UXHICEINSA-N 0 3 477.053 2.866 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@H](OCCOC)C2)CC1 ZINC001296125225 1064218418 /nfs/dbraw/zinc/21/84/18/1064218418.db2.gz LKZUGSXZNLMZQA-PMACEKPBSA-N 0 3 477.053 2.866 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001296128326 1064222452 /nfs/dbraw/zinc/22/24/52/1064222452.db2.gz YBPCJWQIYHOAEH-IAGOWNOFSA-N 0 3 494.471 2.945 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296129600 1064222768 /nfs/dbraw/zinc/22/27/68/1064222768.db2.gz AWQIGCTWUGXVNN-ZWKOTPCHSA-N 0 3 465.046 2.569 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296129599 1064222818 /nfs/dbraw/zinc/22/28/18/1064222818.db2.gz AWQIGCTWUGXVNN-ROUUACIJSA-N 0 3 465.046 2.569 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296130787 1064224182 /nfs/dbraw/zinc/22/41/82/1064224182.db2.gz FVWILAQCGXLBPA-PCCBWWKXSA-N 0 3 491.681 2.649 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)CCc2nccs2)CC1 ZINC001296131251 1064225436 /nfs/dbraw/zinc/22/54/36/1064225436.db2.gz IHONUPRVWOBUHE-KRWDZBQOSA-N 0 3 474.704 2.795 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296131838 1064227366 /nfs/dbraw/zinc/22/73/66/1064227366.db2.gz OGOCCRXPUSUIBW-KNKQGSTJSA-N 0 3 461.054 2.755 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc(OC)c(C)c2)CC1 ZINC001296131972 1064227855 /nfs/dbraw/zinc/22/78/55/1064227855.db2.gz NILCJCOGCBNABR-HXUWFJFHSA-N 0 3 464.618 2.715 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296132348 1064229737 /nfs/dbraw/zinc/22/97/37/1064229737.db2.gz SMXPGNKXZKPYRG-NBGIEHNGSA-N 0 3 462.683 2.667 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(N3CCSC(C)(C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296132665 1064231128 /nfs/dbraw/zinc/23/11/28/1064231128.db2.gz CLMDOMGKQMIPHV-RDPSFJRHSA-N 0 3 480.723 2.677 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(N3CCSC(C)(C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296132667 1064231199 /nfs/dbraw/zinc/23/11/99/1064231199.db2.gz CLMDOMGKQMIPHV-YKSBVNFPSA-N 0 3 480.723 2.677 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001296132787 1064231706 /nfs/dbraw/zinc/23/17/06/1064231706.db2.gz RTODUPXOLJHQKH-OXJNMPFZSA-N 0 3 478.016 2.684 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(N3CC[C@](O)(c4cccc(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001296133187 1064232604 /nfs/dbraw/zinc/23/26/04/1064232604.db2.gz GMKVHNFFSKUSHE-KBMIEXCESA-N 0 3 458.626 2.839 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001296133626 1064234430 /nfs/dbraw/zinc/23/44/30/1064234430.db2.gz JXVJOJNIHMPFQH-RTBURBONSA-N 0 3 489.615 2.902 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CC3CCCC3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001296134383 1064235631 /nfs/dbraw/zinc/23/56/31/1064235631.db2.gz OJZRVCXDSRZDSC-QUCCMNQESA-N 0 3 499.626 2.542 20 0 JFADHN CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001296134667 1064236162 /nfs/dbraw/zinc/23/61/62/1064236162.db2.gz ZMTRTGVPNBPYOX-DYESRHJHSA-N 0 3 475.588 2.560 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(C3CCCC3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001296134805 1064236788 /nfs/dbraw/zinc/23/67/88/1064236788.db2.gz ZVHJDPSUVJMCOW-KRWDZBQOSA-N 0 3 458.573 2.855 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(N3CCN(Cc4cnc(C)s4)CC3)nnc2C(C)(C)C)CC1 ZINC001296134927 1064237510 /nfs/dbraw/zinc/23/75/10/1064237510.db2.gz SRWWPKFJUKGMNW-LJQANCHMSA-N 0 3 474.723 2.689 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(N3CCC[C@@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296135132 1064238546 /nfs/dbraw/zinc/23/85/46/1064238546.db2.gz WMBLJYMYDCCQCH-GHTZIAJQSA-N 0 3 457.671 2.651 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001296135273 1064239299 /nfs/dbraw/zinc/23/92/99/1064239299.db2.gz XRVRAJIAARUNKW-QRVBRYPASA-N 0 3 491.731 2.626 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)c2cc(OC)cc(OC)c2)CC1 ZINC001296135463 1064239581 /nfs/dbraw/zinc/23/95/81/1064239581.db2.gz YUWXXSFGKFAOIC-OAQYLSRUSA-N 0 3 496.660 2.951 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC001291773650 1064259466 /nfs/dbraw/zinc/25/94/66/1064259466.db2.gz ILTGHKZLJCXIGX-VWPQPMDRSA-N 0 3 475.659 2.797 20 0 JFADHN CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCCN2CCOCC2)C[C@H]1C ZINC001296162779 1064276260 /nfs/dbraw/zinc/27/62/60/1064276260.db2.gz PJUOYTLLVHQANI-OAQYLSRUSA-N 0 3 456.635 2.520 20 0 JFADHN CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296163246 1064277820 /nfs/dbraw/zinc/27/78/20/1064277820.db2.gz SMXZOQBFZPOBIA-RBBKRZOGSA-N 0 3 458.626 2.895 20 0 JFADHN CC[C@@H](C)NC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001291784139 1064278331 /nfs/dbraw/zinc/27/83/31/1064278331.db2.gz DLWHESAQLGJFBT-LJQANCHMSA-N 0 3 483.661 2.913 20 0 JFADHN CC[C@H](C)N(C)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001291784434 1064279502 /nfs/dbraw/zinc/27/95/02/1064279502.db2.gz RASJLXZAPHOVFO-RDPSFJRHSA-N 0 3 475.659 2.911 20 0 JFADHN CC[C@H](C)N(C)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001291784486 1064279704 /nfs/dbraw/zinc/27/97/04/1064279704.db2.gz RWGOQFTYPHFHDC-CYFREDJKSA-N 0 3 491.658 2.611 20 0 JFADHN CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001296165856 1064286169 /nfs/dbraw/zinc/28/61/69/1064286169.db2.gz BHXYVAANFRTOPQ-UPVQGACJSA-N 0 3 454.663 2.951 20 0 JFADHN CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)CN2CCOCC2)C[C@H]1C ZINC001296173924 1064299664 /nfs/dbraw/zinc/29/96/64/1064299664.db2.gz MUZKQWVHNPWQQP-NZQKXSOJSA-N 0 3 470.662 2.973 20 0 JFADHN CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001296174203 1064300548 /nfs/dbraw/zinc/30/05/48/1064300548.db2.gz OJVLUBOLHPVXBZ-IFMALSPDSA-N 0 3 474.625 2.883 20 0 JFADHN CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCn2ccnc2C)C[C@@H]1C ZINC001296174664 1064301978 /nfs/dbraw/zinc/30/19/78/1064301978.db2.gz RIENCBFGKASOHT-IBGZPJMESA-N 0 3 453.591 2.991 20 0 JFADHN CC[C@H](C)NC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001291796016 1064302444 /nfs/dbraw/zinc/30/24/44/1064302444.db2.gz IRIXMCWVNVZAKG-GMAHTHKFSA-N 0 3 497.688 2.863 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3csc(COC)n3)C2)CC1 ZINC001296178562 1064305894 /nfs/dbraw/zinc/30/58/94/1064305894.db2.gz AOCDSNANBWXPQW-LJQANCHMSA-N 0 3 461.680 2.734 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(C)n4)n3CC(C)(C)CCOC)C2)CC1 ZINC001296178642 1064306570 /nfs/dbraw/zinc/30/65/70/1064306570.db2.gz BRRPZNYXKYYVEN-NRFANRHFSA-N 0 3 455.651 2.927 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(S(C)(=O)=O)c4)n3CCC(C)(F)F)C2)CC1 ZINC001296178992 1064307639 /nfs/dbraw/zinc/30/76/39/1064307639.db2.gz CYPYQLNPZQEEAR-LJQANCHMSA-N 0 3 496.628 2.610 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccccc4Cl)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001296180577 1064312689 /nfs/dbraw/zinc/31/26/89/1064312689.db2.gz NVVAKVDUYBNSBI-SFHVURJKSA-N 0 3 474.053 2.587 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(CC4CC4)n3C[C@H](C)N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296181639 1064316877 /nfs/dbraw/zinc/31/68/77/1064316877.db2.gz AEQMEWKSKVWEFU-PZJWPPBQSA-N 0 3 475.682 2.702 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(Cc4ccccc4C)n3CCNC(=O)OC(C)(C)C)C2)CC1 ZINC001296181937 1064320081 /nfs/dbraw/zinc/32/00/81/1064320081.db2.gz HVKDEAONHHKDSZ-QHCPKHFHSA-N 0 3 497.688 2.918 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](c3cccc(C)c3)C2)CC1 ZINC001296181964 1064320480 /nfs/dbraw/zinc/32/04/80/1064320480.db2.gz IJKKPEUIOQMTKM-UPVQGACJSA-N 0 3 481.689 2.992 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(F)c2)CC1 ZINC001296181958 1064320523 /nfs/dbraw/zinc/32/05/23/1064320523.db2.gz IHTUWAGSAKJNSN-FQEVSTJZSA-N 0 3 471.625 2.563 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001296183297 1064328336 /nfs/dbraw/zinc/32/83/36/1064328336.db2.gz CVQBMSUEBZMAJA-HXUWFJFHSA-N 0 3 468.650 2.825 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC=C(c3ccccc3)C2)CC1 ZINC001296183510 1064328376 /nfs/dbraw/zinc/32/83/76/1064328376.db2.gz DRLXOKLIYLPPQP-JOCHJYFZSA-N 0 3 479.673 2.984 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001296190633 1064339613 /nfs/dbraw/zinc/33/96/13/1064339613.db2.gz DEOJPSCWSMRESL-JOCHJYFZSA-N 0 3 487.737 2.979 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296190843 1064340501 /nfs/dbraw/zinc/34/05/01/1064340501.db2.gz GCDINCBXVIBEAZ-XZOQPEGZSA-N 0 3 454.663 2.952 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccccc3C)nnc2N(C)Cc2cnccn2)CC1 ZINC001296191227 1064341156 /nfs/dbraw/zinc/34/11/56/1064341156.db2.gz JCWZQUFCVSWCBD-NRFANRHFSA-N 0 3 462.646 2.877 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC1 ZINC001296192077 1064344046 /nfs/dbraw/zinc/34/40/46/1064344046.db2.gz MAJOFZJVMLHCEJ-WOVHNISZSA-N 0 3 489.709 2.854 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001296192108 1064344245 /nfs/dbraw/zinc/34/42/45/1064344245.db2.gz MDKBGJNUNACYHJ-GJZUVCINSA-N 0 3 469.678 2.933 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296192181 1064344271 /nfs/dbraw/zinc/34/42/71/1064344271.db2.gz DLRUUYHKLDZNEE-HKUYNNGSSA-N 0 3 458.573 2.977 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@H]2CSC)CC1 ZINC001296193337 1064349409 /nfs/dbraw/zinc/34/94/09/1064349409.db2.gz IIUMOPPVYJWPMP-UGKGYDQZSA-N 0 3 474.723 2.745 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)Cc2ccon2)CC1 ZINC001296193258 1064349659 /nfs/dbraw/zinc/34/96/59/1064349659.db2.gz ORFJHGFJTMQDMX-LJQANCHMSA-N 0 3 455.582 2.906 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296194337 1064354788 /nfs/dbraw/zinc/35/47/88/1064354788.db2.gz RIFHOEZOSIXMOO-LEWJYISDSA-N 0 3 489.709 2.950 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C)(COC)CC2)CC1 ZINC001296195273 1064359718 /nfs/dbraw/zinc/35/97/18/1064359718.db2.gz NSJHCVARINXYES-OAQYLSRUSA-N 0 3 486.709 2.666 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C3CCC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001296196606 1064368820 /nfs/dbraw/zinc/36/88/20/1064368820.db2.gz VIMTWWMSTMTGIO-SFHVURJKSA-N 0 3 489.606 2.842 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296196992 1064371306 /nfs/dbraw/zinc/37/13/06/1064371306.db2.gz XNKBHIKPUKNKEP-VQTJNVASSA-N 0 3 475.682 2.875 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296197391 1064374146 /nfs/dbraw/zinc/37/41/46/1064374146.db2.gz XSIQJJZYVQBPLM-XZOQPEGZSA-N 0 3 470.662 2.973 20 0 JFADHN CCN1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001296203737 1064382175 /nfs/dbraw/zinc/38/21/75/1064382175.db2.gz OGHPCWHQMXSYTF-XMMPIXPASA-N 0 3 454.623 2.579 20 0 JFADHN CCN1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001296203902 1064384160 /nfs/dbraw/zinc/38/41/60/1064384160.db2.gz CZXSCDDNWZEKOF-NHCUHLMSSA-N 0 3 450.697 2.922 20 0 JFADHN CCN1CCN(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296204384 1064385531 /nfs/dbraw/zinc/38/55/31/1064385531.db2.gz VAQLTVPAPVGUCJ-HSZRJFAPSA-N 0 3 483.661 2.790 20 0 JFADHN CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001291831120 1064391572 /nfs/dbraw/zinc/39/15/72/1064391572.db2.gz ZPKZEPZVSNSCEG-RBBKRZOGSA-N 0 3 469.678 2.915 20 0 JFADHN CCN1CCN(CCCn2c(Cc3c(F)cccc3F)nnc2N2CCOC(C)(C)C2)CC1 ZINC001296211310 1064401888 /nfs/dbraw/zinc/40/18/88/1064401888.db2.gz MKMLIVSJYZAWMO-UHFFFAOYSA-N 0 3 462.589 2.790 20 0 JFADHN CCN1CCN(CCCn2c(Cc3ccsc3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001296212053 1064403690 /nfs/dbraw/zinc/40/36/90/1064403690.db2.gz SRFVTFXHYPXSEK-UHFFFAOYSA-N 0 3 487.718 2.653 20 0 JFADHN CCN1CCN(CCCn2c([C@H]3CCCO3)nnc2N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC001296212962 1064404502 /nfs/dbraw/zinc/40/45/02/1064404502.db2.gz CSKPMXHKHIKYDV-OAQYLSRUSA-N 0 3 456.639 2.707 20 0 JFADHN CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CC=CCC2)CC1 ZINC001291833774 1064405002 /nfs/dbraw/zinc/40/50/02/1064405002.db2.gz OUHRZNOBEJOEKR-HXUWFJFHSA-N 0 3 486.064 2.897 20 0 JFADHN CCn1nc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CCN(C)CCOC)c2ccccc2c1=O ZINC001296216565 1064424423 /nfs/dbraw/zinc/42/44/23/1064424423.db2.gz PNIUPMJGVUROGZ-ROUUACIJSA-N 0 3 485.658 2.583 20 0 JFADHN CCNC(=O)C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC001296225767 1064455805 /nfs/dbraw/zinc/45/58/05/1064455805.db2.gz RFHYGKLJIQGOCA-UHFFFAOYSA-N 0 3 496.660 2.790 20 0 JFADHN CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001291864428 1064476664 /nfs/dbraw/zinc/47/66/64/1064476664.db2.gz UIRXTGAPRVCONG-XUZZJYLKSA-N 0 3 481.689 2.808 20 0 JFADHN CC[C@H](c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291881930 1064504331 /nfs/dbraw/zinc/50/43/31/1064504331.db2.gz ZGYAAYZTYBXINY-GGAORHGYSA-N 0 3 481.689 2.938 20 0 JFADHN CC[C@@H](c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001291889177 1064514214 /nfs/dbraw/zinc/51/42/14/1064514214.db2.gz ZQTANGYXGGDGAK-LADGPHEKSA-N 0 3 497.688 2.982 20 0 JFADHN CC[C@H](c1nnc(N2CCN(CCOC)[C@H](C)C2)n1CCc1nc(C)n[nH]1)c1ccccc1 ZINC001291892512 1064519201 /nfs/dbraw/zinc/51/92/01/1064519201.db2.gz GCBRNVCUWKSCBB-NQIIRXRSSA-N 0 3 452.607 2.646 20 0 JFADHN CC[C@@H](c1nnc(N2CCN(CCOC)[C@H](C)C2)n1CCc1nc(C)n[nH]1)c1ccccc1 ZINC001291892514 1064519713 /nfs/dbraw/zinc/51/97/13/1064519713.db2.gz GCBRNVCUWKSCBB-WIYYLYMNSA-N 0 3 452.607 2.646 20 0 JFADHN CC[C@@H](c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001291894435 1064523904 /nfs/dbraw/zinc/52/39/04/1064523904.db2.gz PZVMSXDSCYQIOC-FYYLOGMGSA-N 0 3 468.646 2.893 20 0 JFADHN CC[C@@H](c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001291894438 1064524147 /nfs/dbraw/zinc/52/41/47/1064524147.db2.gz PZVMSXDSCYQIOC-JTHBVZDNSA-N 0 3 468.646 2.893 20 0 JFADHN CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)SC ZINC001291930766 1064548533 /nfs/dbraw/zinc/54/85/33/1064548533.db2.gz CADJQAMAMHPLMD-WOJBJXKFSA-N 0 3 478.707 2.837 20 0 JFADHN CCC(CC)(Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)SC ZINC001291933270 1064552023 /nfs/dbraw/zinc/55/20/23/1064552023.db2.gz GFFJFFHQHOWGPM-OAQYLSRUSA-N 0 3 485.702 2.929 20 0 JFADHN CCNC(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CCN(C3CCOCC3)C[C@@H]2C)c1 ZINC001296282922 1064554370 /nfs/dbraw/zinc/55/43/70/1064554370.db2.gz SFYYDZRGEBEHPJ-FQEVSTJZSA-N 0 3 468.646 2.964 20 0 JFADHN CCC(CC)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCOC1)N(C)C ZINC001291950941 1064562514 /nfs/dbraw/zinc/56/25/14/1064562514.db2.gz BFVGBOHEBLJFCD-CTNGQTDRSA-N 0 3 463.648 2.940 20 0 JFADHN CCNC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001296295839 1064572146 /nfs/dbraw/zinc/57/21/46/1064572146.db2.gz VVRZKTCENDFYKH-NRFANRHFSA-N 0 3 473.641 2.567 20 0 JFADHN CCC(CC)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC(C)(C)C1)N(C)C ZINC001291967350 1064582305 /nfs/dbraw/zinc/58/23/05/1064582305.db2.gz ICIWMEBVBMMTGY-ZWKOTPCHSA-N 0 3 457.710 2.878 20 0 JFADHN CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N(C)C ZINC001291969069 1064585133 /nfs/dbraw/zinc/58/51/33/1064585133.db2.gz YCYXCUHOGXYHNW-UFYCRDLUSA-N 0 3 455.669 2.552 20 0 JFADHN CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)C)CC1)N1CCOCC1 ZINC001291972548 1064586986 /nfs/dbraw/zinc/58/69/86/1064586986.db2.gz BQDZTVUAXQSEPB-XMMPIXPASA-N 0 3 486.709 2.807 20 0 JFADHN CCC(CC)[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001291973330 1064587848 /nfs/dbraw/zinc/58/78/48/1064587848.db2.gz GLSKCGDUMGAGQC-RBUKOAKNSA-N 0 3 453.678 2.920 20 0 JFADHN CCC(CC)[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](S(C)(=O)=O)C1)N(C)C ZINC001291975789 1064591199 /nfs/dbraw/zinc/59/11/99/1064591199.db2.gz ZHGDHHVJKHKLPM-LEWJYISDSA-N 0 3 487.674 2.506 20 0 JFADHN CCNC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001296317429 1064599897 /nfs/dbraw/zinc/59/98/97/1064599897.db2.gz OQJOKCTYQWXZEM-JOCHJYFZSA-N 0 3 480.592 2.557 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CCN1CCCC1 ZINC001291997552 1064614550 /nfs/dbraw/zinc/61/45/50/1064614550.db2.gz OXIOKAIPIXRWHX-UHFFFAOYSA-N 0 3 456.591 2.700 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1C[C@@H](c1ccccc1)N(C)C ZINC001292018729 1064654798 /nfs/dbraw/zinc/65/47/98/1064654798.db2.gz YIXOGHBBFFMDDC-ZTCOLXNVSA-N 0 3 497.688 2.656 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CCNC(=O)c1ccccc1F ZINC001292020472 1064659575 /nfs/dbraw/zinc/65/95/75/1064659575.db2.gz HQSKIWUHQLYHIC-QZTJIDSGSA-N 0 3 487.624 2.685 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001292025918 1064678286 /nfs/dbraw/zinc/67/82/86/1064678286.db2.gz XCHZBYUSIMDTRJ-MSOLQXFVSA-N 0 3 491.681 2.982 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1CCCN1CCc2ccccc2C1 ZINC001292040446 1064705191 /nfs/dbraw/zinc/70/51/91/1064705191.db2.gz DYJPHDURKNYAJL-HHHXNRCGSA-N 0 3 495.672 2.607 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1C[C@H]1CCCN1Cc1ccccc1 ZINC001292041103 1064706020 /nfs/dbraw/zinc/70/60/20/1064706020.db2.gz JPANPYQEIDBLFL-AJTFRIOCSA-N 0 3 495.672 2.824 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@](C)(C(=O)NC)C2)n1C[C@H]1CCCN1Cc1ccccc1 ZINC001292041104 1064706076 /nfs/dbraw/zinc/70/60/76/1064706076.db2.gz JPANPYQEIDBLFL-AMGIVPHBSA-N 0 3 495.672 2.824 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1CC(C)(C)N1CCC(OC)CC1 ZINC001292043269 1064709369 /nfs/dbraw/zinc/70/93/69/1064709369.db2.gz FRWNNUWHKWPTBX-GHTZIAJQSA-N 0 3 478.682 2.947 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@@H]1CC1(C)C ZINC001292063672 1064737977 /nfs/dbraw/zinc/73/79/77/1064737977.db2.gz XKIBCBYLUYIWIQ-FPOVZHCZSA-N 0 3 459.683 2.847 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001292086104 1064768695 /nfs/dbraw/zinc/76/86/95/1064768695.db2.gz QFYYEKOSHKCGIQ-QGZVFWFLSA-N 0 3 469.625 2.704 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1CCN1CCC[C@H]1C ZINC001292094958 1064785972 /nfs/dbraw/zinc/78/59/72/1064785972.db2.gz RNDRPJHKISZUJJ-SJLPKXTDSA-N 0 3 458.611 2.756 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1CCN1CCC[C@H]1C ZINC001292094956 1064786083 /nfs/dbraw/zinc/78/60/83/1064786083.db2.gz RNDRPJHKISZUJJ-AEFFLSMTSA-N 0 3 458.611 2.756 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2CSC)n1C[C@@]1(N(C)C)CCSC1 ZINC001292099926 1064790410 /nfs/dbraw/zinc/79/04/10/1064790410.db2.gz FNDSSOQXSQNTDK-UTKZUKDTSA-N 0 3 454.710 2.966 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCCN(c3ncccc3F)CC2)n1C[C@H]1CCCN1CC ZINC001292105505 1064799257 /nfs/dbraw/zinc/79/92/57/1064799257.db2.gz MAANNLFOJKFPDM-HXUWFJFHSA-N 0 3 486.640 2.932 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@H]1CCCN1CC ZINC001292110530 1064814324 /nfs/dbraw/zinc/81/43/24/1064814324.db2.gz JWXZVGWFBLBECD-JOCHJYFZSA-N 0 3 499.635 2.782 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccn3)CC2)n1C[C@@H]1CCCCN1CC ZINC001292115897 1064835104 /nfs/dbraw/zinc/83/51/04/1064835104.db2.gz NDKHNVLYXJPGAU-NRFANRHFSA-N 0 3 468.650 2.793 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1CCNC(=O)c1ccccc1F ZINC001292123950 1064863503 /nfs/dbraw/zinc/86/35/03/1064863503.db2.gz AERKAESKGJMERS-UHFFFAOYSA-N 0 3 499.635 2.830 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)CC2)n1Cc1ccnc(-n2cccn2)c1 ZINC001292125897 1064872320 /nfs/dbraw/zinc/87/23/20/1064872320.db2.gz WZLUDVMBGAOFMO-UHFFFAOYSA-N 0 3 479.633 2.604 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1Cc1ncccc1C ZINC001292125883 1064872357 /nfs/dbraw/zinc/87/23/57/1064872357.db2.gz MOPANPDMXLRRKK-IBGZPJMESA-N 0 3 469.634 2.638 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001292126871 1064877983 /nfs/dbraw/zinc/87/79/83/1064877983.db2.gz QWNGTXXSKBHOFK-FYYLOGMGSA-N 0 3 490.693 2.806 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1ccc(C)cc1 ZINC001292127086 1064879776 /nfs/dbraw/zinc/87/97/76/1064879776.db2.gz UZALAAKMAFMDPN-OAQYLSRUSA-N 0 3 454.619 2.712 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1Cc1sc(C)nc1C ZINC001292127109 1064880290 /nfs/dbraw/zinc/88/02/90/1064880290.db2.gz WBYBPJPZFXGPLQ-UHFFFAOYSA-N 0 3 489.690 2.867 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1Cc1nccn1C(F)F ZINC001292127164 1064880956 /nfs/dbraw/zinc/88/09/56/1064880956.db2.gz YQWSPXNUECPRGP-UHFFFAOYSA-N 0 3 464.565 2.901 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@@H]2CC)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001292133572 1064888800 /nfs/dbraw/zinc/88/88/00/1064888800.db2.gz IGQGGWUYRAPAAD-LEWJYISDSA-N 0 3 469.634 2.523 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@H]2CC)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001292133573 1064888826 /nfs/dbraw/zinc/88/88/26/1064888826.db2.gz IGQGGWUYRAPAAD-NHCUHLMSSA-N 0 3 469.634 2.523 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](CC)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001292146551 1064924195 /nfs/dbraw/zinc/92/41/95/1064924195.db2.gz CWYZXKLFMLDEJF-IBGZPJMESA-N 0 3 465.712 2.554 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCSCC2)n1CC(C)(C)N1CCC(OC)CC1 ZINC001292150436 1064927783 /nfs/dbraw/zinc/92/77/83/1064927783.db2.gz BMFSELVTWIYCIN-UHFFFAOYSA-N 0 3 452.669 2.639 20 0 JFADHN O=C(c1ccc(=O)n(CCOc2ccccc2Cl)c1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC001292156931 1064938294 /nfs/dbraw/zinc/93/82/94/1064938294.db2.gz WLHPLECQGDZVQE-FQEVSTJZSA-N 0 3 459.974 2.908 20 0 JFADHN CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1C)N1CCc2ccccc2C1 ZINC001292176172 1064966381 /nfs/dbraw/zinc/96/63/81/1064966381.db2.gz WZGAUOSBLHQBCI-WAOWUJCRSA-N 0 3 460.648 2.714 20 0 JFADHN CC[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001292192827 1064984870 /nfs/dbraw/zinc/98/48/70/1064984870.db2.gz NOJHOSQZXUBNHD-PMACEKPBSA-N 0 3 461.632 2.842 20 0 JFADHN CCS(=O)(=O)c1ccc(N2CCC(NC(=O)C3C[C@@H](c4ccccc4)OC3=O)CC2)cc1 ZINC001292215555 1065003883 /nfs/dbraw/zinc/00/38/83/1065003883.db2.gz JQQGPAUJLMSBEP-VXKWHMMOSA-N 0 3 456.564 2.870 20 0 JFADHN CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1)OC ZINC001292262813 1065041934 /nfs/dbraw/zinc/04/19/34/1065041934.db2.gz SNBSMBJOELIANL-TUNNFDKTSA-N 0 3 478.682 2.612 20 0 JFADHN CCC(O)(CC)Cn1c(CCc2ccccc2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001292289762 1065061645 /nfs/dbraw/zinc/06/16/45/1065061645.db2.gz OLBRBRKYTWNIKT-DHLKQENFSA-N 0 3 496.700 2.993 20 0 JFADHN CC[C@@]1(C)CCN(c2nnc(Cc3ccncc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001292339562 1065090658 /nfs/dbraw/zinc/09/06/58/1065090658.db2.gz MLZFEPOYTXZVAT-BWKNWUBXSA-N 0 3 453.635 2.833 20 0 JFADHN CC[C@@]1(C)CCN(c2nnc(Cc3ccncc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001292339563 1065090720 /nfs/dbraw/zinc/09/07/20/1065090720.db2.gz MLZFEPOYTXZVAT-OFVILXPXSA-N 0 3 453.635 2.833 20 0 JFADHN CC[C@]1(C)CN(c2nnc(-c3ccc(C)o3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001292353534 1065098003 /nfs/dbraw/zinc/09/80/03/1065098003.db2.gz KUSCOEAYVPSCEF-NTKDMRAZSA-N 0 3 458.607 2.795 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](C)[C@@H](OC)C2)N(C)C)cc1 ZINC001292455928 1065176643 /nfs/dbraw/zinc/17/66/43/1065176643.db2.gz AWHGEEDREZNOLE-MQGJPIDWSA-N 0 3 454.619 2.956 20 0 JFADHN CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3noc(C)n3)C2)N(C)C)cc1 ZINC001292457711 1065180182 /nfs/dbraw/zinc/18/01/82/1065180182.db2.gz LIDNAGWRRDLYDX-NHCUHLMSSA-N 0 3 496.616 2.551 20 0 JFADHN CCc1ccc([C@H](Cn2c(N3C[C@@H](CC(=O)OC)[C@H](O)C3)nnc2C(C)(C)C)N(C)C)cc1 ZINC001292458727 1065183052 /nfs/dbraw/zinc/18/30/52/1065183052.db2.gz BAHIEYVRAJWADJ-QHAWAJNXSA-N 0 3 457.619 2.801 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](C(=O)NC)C2)N(C)C)cc1 ZINC001292460537 1065188454 /nfs/dbraw/zinc/18/84/54/1065188454.db2.gz IHBQDVFWEBPPBP-BHIFYINESA-N 0 3 454.619 2.957 20 0 JFADHN CCc1ccc([C@@H](Cn2c(CC(C)C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)N(C)C)cc1 ZINC001292461019 1065190389 /nfs/dbraw/zinc/19/03/89/1065190389.db2.gz KYWUVFUYPHTCDP-XMMPIXPASA-N 0 3 497.688 2.916 20 0 JFADHN CCc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H](C(CC)CC)N2CCOCC2)cc1 ZINC001292488606 1065210221 /nfs/dbraw/zinc/21/02/21/1065210221.db2.gz OVBWQRLOJPXAQI-PKTZIBPZSA-N 0 3 468.646 2.956 20 0 JFADHN CCc1ccc(-c2nnc(N3CCC(CN4CCOCC4)CC3)n2CCCNC(C)=O)cc1 ZINC001292497236 1065215903 /nfs/dbraw/zinc/21/59/03/1065215903.db2.gz BOIUFIIGWBENEV-UHFFFAOYSA-N 0 3 454.619 2.582 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001292513688 1065233841 /nfs/dbraw/zinc/23/38/41/1065233841.db2.gz KUGUHEFCJITCOW-UHFFFAOYSA-N 0 3 495.672 2.557 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C(=O)CN(CC)CC)CC3)n2C[C@@H]2CCCO2)cc1 ZINC001292514594 1065236026 /nfs/dbraw/zinc/23/60/26/1065236026.db2.gz UUSWOHLFYOULSR-QFIPXVFZSA-N 0 3 454.619 2.677 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C4CCCC4)CC3)n2CCOCCS(C)(=O)=O)cc1 ZINC001292517606 1065239323 /nfs/dbraw/zinc/23/93/23/1065239323.db2.gz FJRBNMRNXQFFDK-UHFFFAOYSA-N 0 3 475.659 2.633 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(CC(=O)N[C@H](C)CC)CC3)n2CCN2CCSCC2)cc1 ZINC001292518727 1065243477 /nfs/dbraw/zinc/24/34/77/1065243477.db2.gz WUVNHJKGZZWMCM-OAQYLSRUSA-N 0 3 499.729 2.593 20 0 JFADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc(Br)cc2Br)CC1 ZINC001292521201 1065247337 /nfs/dbraw/zinc/24/73/37/1065247337.db2.gz DATZZWVYAVLTBJ-OAHLLOKOSA-N 0 3 459.182 2.766 20 0 JFADHN CCc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001292589137 1065304659 /nfs/dbraw/zinc/30/46/59/1065304659.db2.gz HYTCXLKWHVCUKJ-XJUOHMSHSA-N 0 3 498.672 2.976 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001292605450 1065331052 /nfs/dbraw/zinc/33/10/52/1065331052.db2.gz JBIXUZOISSDIFR-HSZRJFAPSA-N 0 3 497.688 2.550 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CCN(CC)[C@H](C)C2)n1CCN1CCSCC1 ZINC001292615661 1065348507 /nfs/dbraw/zinc/34/85/07/1065348507.db2.gz QFAUQYVHCIVOOM-HXUWFJFHSA-N 0 3 458.676 2.999 20 0 JFADHN CCc1cnc(CCn2c([C@H]3CCCCO3)nnc2N2CCN(C(=O)CN(CC)CC)CC2)s1 ZINC001292627131 1065364425 /nfs/dbraw/zinc/36/44/25/1065364425.db2.gz YVCOVODUIULKII-HXUWFJFHSA-N 0 3 489.690 2.772 20 0 JFADHN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC001292668031 1065405976 /nfs/dbraw/zinc/40/59/76/1065405976.db2.gz NZICCFUAXQJMEN-UHFFFAOYSA-N 0 3 456.612 2.709 20 0 JFADHN O=C(Cc1csc2ccc(Br)cc12)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001292811517 1065563135 /nfs/dbraw/zinc/56/31/35/1065563135.db2.gz HKHDSBOSOJPJNV-UHFFFAOYSA-N 0 3 450.402 2.973 20 0 JFADHN CCc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1Cc1cnn(CC(C)C)c1C ZINC001292817078 1065566156 /nfs/dbraw/zinc/56/61/56/1065566156.db2.gz OIBLKDPHSWFLJH-UHFFFAOYSA-N 0 3 453.639 2.847 20 0 JFADHN CCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCCc1cc(OC)ccc1OC ZINC001292892229 1065589803 /nfs/dbraw/zinc/58/98/03/1065589803.db2.gz BDFUZNJFXMCPNR-HYBUGGRVSA-N 0 3 498.672 2.869 20 0 JFADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](C)Oc1ccc(F)cc1 ZINC001292893222 1065593249 /nfs/dbraw/zinc/59/32/49/1065593249.db2.gz MKZGMOZFCNPVTQ-YYDVJCTNSA-N 0 3 472.609 2.826 20 0 JFADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001292894285 1065595377 /nfs/dbraw/zinc/59/53/77/1065595377.db2.gz WKOSWDMQBIPXEG-LAUBAEHRSA-N 0 3 493.578 2.876 20 0 JFADHN CCc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001292922620 1065609305 /nfs/dbraw/zinc/60/93/05/1065609305.db2.gz FGIANYOTVDNROJ-NVXWUHKLSA-N 0 3 456.488 2.787 20 0 JFADHN CCc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001292932624 1065622683 /nfs/dbraw/zinc/62/26/83/1065622683.db2.gz WXSJATYMLIRJMU-AABGKKOBSA-N 0 3 491.681 2.523 20 0 JFADHN CCn1c(SCC(=O)NC[C@@H](C)CN2CCN(C)CC2)nnc1-c1ccc(Cl)cc1 ZINC001292957556 1065635336 /nfs/dbraw/zinc/63/53/36/1065635336.db2.gz CBKQMRNYRZAGMH-MRXNPFEDSA-N 0 3 451.040 2.710 20 0 JFADHN CCc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001292960152 1065639386 /nfs/dbraw/zinc/63/93/86/1065639386.db2.gz RBTRSSWOEYMHQG-HXUWFJFHSA-N 0 3 477.698 2.950 20 0 JFADHN CCc1nnc(N2CCC(CN3CCOCC3)CC2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001292961047 1065641189 /nfs/dbraw/zinc/64/11/89/1065641189.db2.gz RICKQKFUKOMWHV-UHFFFAOYSA-N 0 3 482.551 2.968 20 0 JFADHN CCc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001292977973 1065658389 /nfs/dbraw/zinc/65/83/89/1065658389.db2.gz DLAYLXQFAXKCNO-SFHVURJKSA-N 0 3 481.567 2.938 20 0 JFADHN CCc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCc1ccc(OC)cc1OC ZINC001292979839 1065662112 /nfs/dbraw/zinc/66/21/12/1065662112.db2.gz YDYQDZZQLZIDKH-NRFANRHFSA-N 0 3 456.635 2.705 20 0 JFADHN CCc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001293035553 1065704115 /nfs/dbraw/zinc/70/41/15/1065704115.db2.gz NSAGEKOXFWGMCN-UXHICEINSA-N 0 3 491.681 2.619 20 0 JFADHN CCc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@H](c1ccco1)N(CC)CC ZINC001293068058 1065719566 /nfs/dbraw/zinc/71/95/66/1065719566.db2.gz AJRXXZOFCGWDGL-OAQYLSRUSA-N 0 3 471.650 2.651 20 0 JFADHN CCc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1CCN(CC)CCC(F)(F)F ZINC001293073631 1065726254 /nfs/dbraw/zinc/72/62/54/1065726254.db2.gz WYJPZUXNAVXMKE-UHFFFAOYSA-N 0 3 456.561 2.561 20 0 JFADHN CCc1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CCCN1CCN(c2ccccc2)CC1 ZINC001293077185 1065727864 /nfs/dbraw/zinc/72/78/64/1065727864.db2.gz DRIKEWCKTRBABI-UHFFFAOYSA-N 0 3 467.662 2.748 20 0 JFADHN CCc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001293082195 1065731964 /nfs/dbraw/zinc/73/19/64/1065731964.db2.gz WYGAGWQXONJAQC-GOSISDBHSA-N 0 3 454.600 2.873 20 0 JFADHN CCc1nnc(N2CCN(c3cccc(F)c3F)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001293097223 1065747573 /nfs/dbraw/zinc/74/75/73/1065747573.db2.gz BKVTUWPUOVEGBK-LJQANCHMSA-N 0 3 461.605 2.719 20 0 JFADHN CCc1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001293119608 1065767721 /nfs/dbraw/zinc/76/77/21/1065767721.db2.gz LMICBISDVOIRTL-FYYLOGMGSA-N 0 3 467.662 2.666 20 0 JFADHN CCc1noc([C@@H](C)N2CCN(c3nnc(C)n3C[C@H](c3cccc(F)c3)N(C)C)CC2)n1 ZINC001293186582 1065812012 /nfs/dbraw/zinc/81/20/12/1065812012.db2.gz WYULJQIOUJUFBU-OXQOHEQNSA-N 0 3 456.570 2.857 20 0 JFADHN CC[C@H]1C[C@@H](C)CN1c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C)C(C)(C)C1 ZINC001293330878 1065951839 /nfs/dbraw/zinc/95/18/39/1065951839.db2.gz FWVRMQOYNJWTLN-MOPGFXCFSA-N 0 3 473.691 2.920 20 0 JFADHN CC[C@H]1CCCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001293371480 1065974590 /nfs/dbraw/zinc/97/45/90/1065974590.db2.gz MKGJRKHCJQAASZ-RTWAWAEBSA-N 0 3 480.723 2.755 20 0 JFADHN CC[C@@H]1CCCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001293371476 1065974704 /nfs/dbraw/zinc/97/47/04/1065974704.db2.gz MKGJRKHCJQAASZ-LEWJYISDSA-N 0 3 480.723 2.755 20 0 JFADHN CC[C@H]1CCCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001293371482 1065974787 /nfs/dbraw/zinc/97/47/87/1065974787.db2.gz MKGJRKHCJQAASZ-SFTDATJTSA-N 0 3 480.723 2.755 20 0 JFADHN CC[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001293375184 1065981305 /nfs/dbraw/zinc/98/13/05/1065981305.db2.gz BKUMPZVKLNRXEU-SQGPQFPESA-N 0 3 466.627 2.957 20 0 JFADHN CC[C@H]1CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001293413103 1065998749 /nfs/dbraw/zinc/99/87/49/1065998749.db2.gz RIZWBWGRJDRHBB-NRFANRHFSA-N 0 3 454.619 2.800 20 0 JFADHN CC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCc3ccccc3C2)C1 ZINC001293455604 1066012481 /nfs/dbraw/zinc/01/24/81/1066012481.db2.gz PBKKZVZRTWLUFH-GUDVDZBRSA-N 0 3 460.648 2.571 20 0 JFADHN CC1CCC(N2CCN(C(=O)[C@H]3[C@H]4C(=O)N(CC(F)(F)F)C(=O)[C@@H]4C=C[C@H]3C)CC2)CC1 ZINC001293495184 1066025804 /nfs/dbraw/zinc/02/58/04/1066025804.db2.gz BOIXHSNKNZBTSM-JLWYPVFISA-N 0 3 455.521 2.695 20 0 JFADHN CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2CCC(OC)CC2)CCS1 ZINC001293504599 1066028377 /nfs/dbraw/zinc/02/83/77/1066028377.db2.gz BMBITRDKODTCHO-LJQANCHMSA-N 0 3 464.680 2.735 20 0 JFADHN CC[C@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCN(C)C(C)(C)C2)CCS1 ZINC001293531127 1066050853 /nfs/dbraw/zinc/05/08/53/1066050853.db2.gz KQSQIUXPXWCHOR-RDPSFJRHSA-N 0 3 480.723 2.677 20 0 JFADHN CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)O1 ZINC001293600092 1066115770 /nfs/dbraw/zinc/11/57/70/1066115770.db2.gz PIVYJQQPGBLVFR-PFAUGDHASA-N 0 3 467.680 2.552 20 0 JFADHN CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@H](C)C2)C[C@H](C)O1 ZINC001293600193 1066116269 /nfs/dbraw/zinc/11/62/69/1066116269.db2.gz PIVYJQQPGBLVFR-QGLKVJOYSA-N 0 3 467.680 2.552 20 0 JFADHN CC[C@@H]1CN(c2nnc(CC(C)C)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC001293606045 1066121366 /nfs/dbraw/zinc/12/13/66/1066121366.db2.gz FHJOQJUBXHFEFO-ACESQOTJSA-N 0 3 462.683 2.523 20 0 JFADHN CC/C=C/Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001293667773 1066170186 /nfs/dbraw/zinc/17/01/86/1066170186.db2.gz QSSXXUJDKPEMCH-QWNKOJSDSA-N 0 3 490.450 2.755 20 0 JFADHN CC/C=C/Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001293683463 1066174003 /nfs/dbraw/zinc/17/40/03/1066174003.db2.gz QIDATRZUYROAPC-BXKJMJEDSA-N 0 3 468.602 2.671 20 0 JFADHN CC/C=C/Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001293704331 1066178247 /nfs/dbraw/zinc/17/82/47/1066178247.db2.gz CTTKYZJKECEOSF-HWWNHIDJSA-N 0 3 468.602 2.747 20 0 JFADHN O=C(c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)N(CCN1CCCC1)c1ccccc1 ZINC001293771568 1066260929 /nfs/dbraw/zinc/26/09/29/1066260929.db2.gz WHYPOVQKNAAWKG-JOCHJYFZSA-N 0 3 457.596 2.887 20 0 JFADHN CCC[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001293805214 1066314699 /nfs/dbraw/zinc/31/46/99/1066314699.db2.gz JGZCLJGRFDHPFS-DEOSSOPVSA-N 0 3 475.659 2.964 20 0 JFADHN CCC[C@](C)(O)Cn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001293818870 1066326157 /nfs/dbraw/zinc/32/61/57/1066326157.db2.gz ASPTXHOAKTXYCX-QNIAMRLHSA-N 0 3 460.667 2.866 20 0 JFADHN CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001293822515 1066330476 /nfs/dbraw/zinc/33/04/76/1066330476.db2.gz VALQIDBXOKXZLE-RTGAMMJTSA-N 0 3 483.661 2.579 20 0 JFADHN CCC[C@](C)(O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C2CCOCC2)CC1 ZINC001293837304 1066342493 /nfs/dbraw/zinc/34/24/93/1066342493.db2.gz SVILAEQRCHBVDL-VWLOTQADSA-N 0 3 473.618 2.718 20 0 JFADHN CCC[C@H](C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001293863023 1066373204 /nfs/dbraw/zinc/37/32/04/1066373204.db2.gz YTOTUJJMRWFQKW-FQEVSTJZSA-N 0 3 486.636 2.861 20 0 JFADHN CCC[C@@H](C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001293866131 1066376414 /nfs/dbraw/zinc/37/64/14/1066376414.db2.gz XBEIRFCXDUVNJS-URVUXULASA-N 0 3 476.666 2.762 20 0 JFADHN CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCN2CC)C1 ZINC001293930572 1066408998 /nfs/dbraw/zinc/40/89/98/1066408998.db2.gz CTFXRFYFLALXSC-PCCBWWKXSA-N 0 3 475.682 2.812 20 0 JFADHN CCC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)OC ZINC001293960009 1066458517 /nfs/dbraw/zinc/45/85/17/1066458517.db2.gz APJDEZLCYQORFU-FGZHOGPDSA-N 0 3 470.618 2.512 20 0 JFADHN CCC[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)OC ZINC001293960010 1066458572 /nfs/dbraw/zinc/45/85/72/1066458572.db2.gz APJDEZLCYQORFU-VXKWHMMOSA-N 0 3 470.618 2.512 20 0 JFADHN CCCc1nc(C)c(Cn2c(COCC)nnc2N2CC[C@@H](N3CCN(C(C)C)CC3)C2)o1 ZINC001294053809 1066525535 /nfs/dbraw/zinc/52/55/35/1066525535.db2.gz SFXMPSAXIJEEIH-HXUWFJFHSA-N 0 3 459.639 2.717 20 0 JFADHN CCC[C@H]1CN(c2nnc(C(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCN1CCOC ZINC001294058529 1066531202 /nfs/dbraw/zinc/53/12/02/1066531202.db2.gz RGFSVZZVVLWGHR-RBUKOAKNSA-N 0 3 476.588 2.602 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H]2COCCO2)CCN1CCOC ZINC001294066390 1066536504 /nfs/dbraw/zinc/53/65/04/1066536504.db2.gz HSUJGIKOUOTVRO-VQTJNVASSA-N 0 3 479.025 2.736 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2NC(=O)CC2(C)C)CCN1CCOC ZINC001294068730 1066539275 /nfs/dbraw/zinc/53/92/75/1066539275.db2.gz XDWJHOKOPVUWDG-RBUKOAKNSA-N 0 3 490.052 2.845 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2cc(C(C)(C)C)no2)CCN1CCOC ZINC001294075544 1066544606 /nfs/dbraw/zinc/54/46/06/1066544606.db2.gz AVUMUKJOBVNCSI-LJQANCHMSA-N 0 3 470.622 2.950 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2(CC)CCOCC2)CCN1CCOC ZINC001294075510 1066544676 /nfs/dbraw/zinc/54/46/76/1066544676.db2.gz AFRTUXWLQOTQPB-OAQYLSRUSA-N 0 3 459.639 2.823 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cccnc3)n2CCc2nccnc2C)CCN1CCOC ZINC001294076339 1066545543 /nfs/dbraw/zinc/54/55/43/1066545543.db2.gz IHHITHIQCNPGEH-NRFANRHFSA-N 0 3 450.591 2.618 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2ccccc2)CCN1CCOC ZINC001294078066 1066547949 /nfs/dbraw/zinc/54/79/49/1066547949.db2.gz VKJPLQFAAIMWPR-PXDATVDWSA-N 0 3 465.602 2.580 20 0 JFADHN CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001294085280 1066555096 /nfs/dbraw/zinc/55/50/96/1066555096.db2.gz DPTLDAPPESKFOB-PLACYPQZSA-N 0 3 467.680 2.554 20 0 JFADHN CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCOC[C@@H]2OC)CCN1CCOC ZINC001294087545 1066559602 /nfs/dbraw/zinc/55/96/02/1066559602.db2.gz UEYKPINVXBJYOR-NJYVYQBISA-N 0 3 451.656 2.855 20 0 JFADHN COc1ccc(N2C(=O)CC[C@@H](C(=O)NCCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004756724 524388598 /nfs/dbraw/zinc/38/85/98/524388598.db2.gz MWDQIXBSIKJNCK-YKSBVNFPSA-N 0 3 455.555 2.875 20 0 JFADHN c1sc2nc(CN3CCOCC3)nc(N3CC[C@H]4NCCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164391437 718824547 /nfs/dbraw/zinc/82/45/47/718824547.db2.gz VUNPXUHOBIBKQM-WOJBJXKFSA-N 0 3 451.596 2.758 20 0 JFADHN CN(C)C(=O)CN1CC[C@@]2(CN(c3ncccc3CN3CCCC3)C[C@@H]2c2ccccc2)C1=O ZINC001164631028 719143760 /nfs/dbraw/zinc/14/37/60/719143760.db2.gz MMERTWJVRRUCKR-KCWPFWIISA-N 0 3 461.610 2.588 20 0 JFADHN CN1CC2(CCN(c3ncccc3CN3CCCC3)CC2)COc2ccccc2S1(=O)=O ZINC001164692035 719779094 /nfs/dbraw/zinc/77/90/94/719779094.db2.gz RCYLESTWOKVALD-UHFFFAOYSA-N 0 3 456.612 2.977 20 0 JFADHN CN1CCN(c2cccc(N3CCC4(CCn5c(-c6ccc(C(N)=O)cc6)cnc54)CC3)n2)CC1 ZINC001164698097 719829959 /nfs/dbraw/zinc/82/99/59/719829959.db2.gz QANJQELSHCXMFG-UHFFFAOYSA-N 0 3 471.609 2.738 20 0 JFADHN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1nc(N3CCCC3)cc3ccccc31)CC2 ZINC001164708588 719928816 /nfs/dbraw/zinc/92/88/16/719928816.db2.gz LXSHTBVKGMKYNY-UHFFFAOYSA-N 0 3 459.598 2.519 20 0 JFADHN COC[C@@H]1CN(CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)C2 ZINC001164813268 720205374 /nfs/dbraw/zinc/20/53/74/720205374.db2.gz NXEZKSXZYXSWGA-LPHOPBHVSA-N 0 3 463.978 2.868 20 0 JFADHN O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc21 ZINC001164729315 720427649 /nfs/dbraw/zinc/42/76/49/720427649.db2.gz GWQGTYONFRENCA-VXKWHMMOSA-N 0 3 460.563 2.917 20 0 JFADHN COC(=O)c1cc2c([n-]1)nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164836347 720564458 /nfs/dbraw/zinc/56/44/58/720564458.db2.gz JPMXXGMUZZSMBD-RVKKMQEKSA-N 0 3 457.966 2.972 20 0 JFADHN COC(=O)c1cc2c([n-]1)nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164836347 720564463 /nfs/dbraw/zinc/56/44/63/720564463.db2.gz JPMXXGMUZZSMBD-RVKKMQEKSA-N 0 3 457.966 2.972 20 0 JFADHN Clc1nc(Cl)c2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2n1 ZINC001164740063 720657272 /nfs/dbraw/zinc/65/72/72/720657272.db2.gz PLIGXQOEAMXGNL-UWVGGRQHSA-N 0 3 453.721 2.512 20 0 JFADHN Clc1nc2c(ncn2Cc2ccccc2)c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740075 720663001 /nfs/dbraw/zinc/66/30/01/720663001.db2.gz PNTXAALTZSPVTC-QZTJIDSGSA-N 0 3 462.945 2.660 20 0 JFADHN CCOC(=O)c1c2ccccn2c2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164868364 721044981 /nfs/dbraw/zinc/04/49/81/721044981.db2.gz OFPDMLJYYJSVCY-VQTJNVASSA-N 0 3 472.549 2.934 20 0 JFADHN CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c12 ZINC001164764475 721074968 /nfs/dbraw/zinc/07/49/68/721074968.db2.gz HUAJXEOUMRKIOL-RTBURBONSA-N 0 3 459.554 2.751 20 0 JFADHN Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC001164766437 721084605 /nfs/dbraw/zinc/08/46/05/721084605.db2.gz KHHZGYWSSHVMNN-LEWJYISDSA-N 0 3 491.621 2.669 20 0 JFADHN COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864861 721091816 /nfs/dbraw/zinc/09/18/16/721091816.db2.gz GXIRSNNKXDTWDR-ROUUACIJSA-N 0 3 453.930 2.945 20 0 JFADHN Cc1cc2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164863533 721108387 /nfs/dbraw/zinc/10/83/87/721108387.db2.gz CSMQYVTVBKJYPV-VQTJNVASSA-N 0 3 466.611 2.711 20 0 JFADHN COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867315 721120817 /nfs/dbraw/zinc/12/08/17/721120817.db2.gz XUGCGTYXGXLTTE-OALUTQOASA-N 0 3 467.570 2.728 20 0 JFADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c4ncn5[C@H]4CCCCO4)C[C@H]3C2)cn1 ZINC001164774073 721127470 /nfs/dbraw/zinc/12/74/70/721127470.db2.gz ZUODLXPRUWZHHA-KZNAEPCWSA-N 0 3 456.982 2.871 20 0 JFADHN Fc1ccccc1N1CCN(c2cc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)ncn2)CC1 ZINC001164880935 721157291 /nfs/dbraw/zinc/15/72/91/721157291.db2.gz XWUSEELUHWDTOH-DHIUTWEWSA-N 0 3 489.599 2.817 20 0 JFADHN c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CCN3C2)c1 ZINC001164875316 721171443 /nfs/dbraw/zinc/17/14/43/721171443.db2.gz KUBDBZBLSFLAAM-LOSJGSFVSA-N 0 3 472.593 2.855 20 0 JFADHN COc1ccc(Cn2cc3[nH]c(N4C[C@@H]5CCN(Cc6cnn(C)c6)C[C@H]5C4)ccc-3c2=O)cc1 ZINC001164769337 721188085 /nfs/dbraw/zinc/18/80/85/721188085.db2.gz MCNKAHZHGLGORL-VXKWHMMOSA-N 0 3 472.593 2.938 20 0 JFADHN COc1ccc(Cn2cc3[nH]c(N4C[C@H]5CN(Cc6cnn(C)c6)CC[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164769330 721188141 /nfs/dbraw/zinc/18/81/41/721188141.db2.gz MCNKAHZHGLGORL-FGZHOGPDSA-N 0 3 472.593 2.938 20 0 JFADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164761085 721226760 /nfs/dbraw/zinc/22/67/60/721226760.db2.gz HHSYXGNESNCZPK-GOTSBHOMSA-N 0 3 459.598 2.672 20 0 JFADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)C3)O2)CC1 ZINC001164898423 721441922 /nfs/dbraw/zinc/44/19/22/721441922.db2.gz VYZNTDVKFQFCSR-LEAFIULHSA-N 0 3 491.684 2.569 20 0 JFADHN c1csc(N2[C@@H]3CCN(c4ccc(CN5CCCC5)cn4)C[C@@H]3C[C@H]2Cn2cncn2)n1 ZINC001164899935 721495012 /nfs/dbraw/zinc/49/50/12/721495012.db2.gz MJQDECWAVVZBMU-PCCBWWKXSA-N 0 3 450.616 2.899 20 0 JFADHN CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164904675 721541714 /nfs/dbraw/zinc/54/17/14/721541714.db2.gz FXRNUNGTGPYYSU-RDJZCZTQSA-N 0 3 474.924 2.524 20 0 JFADHN CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164904678 721541913 /nfs/dbraw/zinc/54/19/13/721541913.db2.gz FXRNUNGTGPYYSU-WBVHZDCISA-N 0 3 474.924 2.524 20 0 JFADHN COC(=O)c1cc2c(nc(Cl)nc2N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1C ZINC001164906601 721550633 /nfs/dbraw/zinc/55/06/33/721550633.db2.gz KFAHIRZPLDXBDD-HOCLYGCPSA-N 0 3 459.909 2.889 20 0 JFADHN CCOC(=O)c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1C(=O)OCC ZINC001164908711 721568172 /nfs/dbraw/zinc/56/81/72/721568172.db2.gz RSTPKKBRYMEBJJ-PKOBYXMFSA-N 0 3 457.502 2.916 20 0 JFADHN COC(=O)C1CCN(c2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nn2)CC1 ZINC001164907389 721712995 /nfs/dbraw/zinc/71/29/95/721712995.db2.gz RKKBWYKQPAOQIY-DEOSSOPVSA-N 0 3 486.567 2.999 20 0 JFADHN COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CC2)COCCN(Cc2ccncc2)C3)[nH]1 ZINC001164964302 722057308 /nfs/dbraw/zinc/05/73/08/722057308.db2.gz UOUJKFAVSWWPRY-UHFFFAOYSA-N 0 3 470.961 2.912 20 0 JFADHN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982720 722101415 /nfs/dbraw/zinc/10/14/15/722101415.db2.gz OCISFHDGSSMFEO-SJLPKXTDSA-N 0 3 481.931 2.974 20 0 JFADHN FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982853 722105795 /nfs/dbraw/zinc/10/57/95/722105795.db2.gz PNCOLPXCWSSEOS-OALUTQOASA-N 0 3 494.974 2.634 20 0 JFADHN COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164976130 722137696 /nfs/dbraw/zinc/13/76/96/722137696.db2.gz HJPPWULXDOUWGA-DOTOQJQBSA-N 0 3 456.934 2.520 20 0 JFADHN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(C[C@@H]1CCCO1)C(F)(F)F ZINC001264228497 1059543463 /nfs/dbraw/zinc/54/34/63/1059543463.db2.gz QRRCOOFBELGCMQ-UONOGXRCSA-N 0 3 454.442 2.533 20 0 JFADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@@H](F)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc21 ZINC001264843107 1059703012 /nfs/dbraw/zinc/70/30/12/1059703012.db2.gz GBEVUCOCZJAWRX-KDOFPFPSSA-N 0 3 450.511 2.690 20 0 JFADHN Cc1c(C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC001265482141 1059869964 /nfs/dbraw/zinc/86/99/64/1059869964.db2.gz HNRYYCPZTZWZGR-GOSISDBHSA-N 0 3 454.575 2.645 20 0 JFADHN CC(=O)N(C)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001286841293 1061106303 /nfs/dbraw/zinc/10/63/03/1061106303.db2.gz LTJFKCZSYQUHQN-UGKGYDQZSA-N 0 3 458.582 2.671 20 0 JFADHN CC(=O)N(C)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001286841291 1061106412 /nfs/dbraw/zinc/10/64/12/1061106412.db2.gz LTJFKCZSYQUHQN-SIKLNZKXSA-N 0 3 458.582 2.671 20 0 JFADHN CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccncc3)n2CCN(C)Cc2ccccc2)C1 ZINC001286849520 1061173453 /nfs/dbraw/zinc/17/34/53/1061173453.db2.gz CWJOBEBFYZHCAW-XMMPIXPASA-N 0 3 461.614 2.701 20 0 JFADHN CC(=O)N1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCC(C)CC2)[C@@H](C)C1 ZINC001286866522 1061249159 /nfs/dbraw/zinc/24/91/59/1061249159.db2.gz CCRTVRZGWHTRQW-NRFANRHFSA-N 0 3 481.645 2.936 20 0 JFADHN Cc1ccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCN2CCN(C)C(C)(C)C2)o1 ZINC001289615046 1061255893 /nfs/dbraw/zinc/25/58/93/1061255893.db2.gz AEBNIIUOIURBQL-LJQANCHMSA-N 0 3 457.623 2.685 20 0 JFADHN Cc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCN2CCN(C)C(C)(C)C2)o1 ZINC001289615040 1061255943 /nfs/dbraw/zinc/25/59/43/1061255943.db2.gz AEBNIIUOIURBQL-IBGZPJMESA-N 0 3 457.623 2.685 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3CCCOc3ccc(C)cc3)C[C@@H]2C)CC1 ZINC001286868515 1061257978 /nfs/dbraw/zinc/25/79/78/1061257978.db2.gz BFEWUJWDKFXDLM-RDPSFJRHSA-N 0 3 454.619 2.743 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C)CC1 ZINC001286868929 1061259795 /nfs/dbraw/zinc/25/97/95/1061259795.db2.gz CRFXISLRXZZIMV-HRAATJIYSA-N 0 3 480.535 2.912 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCn3cc(Cl)cn3)C[C@H]2C)CC1 ZINC001286870821 1061267897 /nfs/dbraw/zinc/26/78/97/1061267897.db2.gz KNCBXTSSONRKQR-YLJYHZDGSA-N 0 3 477.057 2.505 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc([C@@H]4CCOC4)n3CCSCC(C)C)C[C@H]2C)CC1 ZINC001286870917 1061269235 /nfs/dbraw/zinc/26/92/35/1061269235.db2.gz LSJHOUULSFXBSW-CEMLEFRQSA-N 0 3 478.707 2.550 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3CCc3csc(C)n3)C[C@H]2C)CC1 ZINC001286871451 1061273283 /nfs/dbraw/zinc/27/32/83/1061273283.db2.gz OKVVKZRRDBYKQF-XMSQKQJNSA-N 0 3 473.691 2.863 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3CCc3cccnc3)C[C@H]2C)CC1 ZINC001286872371 1061277944 /nfs/dbraw/zinc/27/79/44/1061277944.db2.gz UYFVKNMTXBDGCZ-KNQAVFIVSA-N 0 3 453.635 2.592 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CC3(C)CCOCC3)C[C@H]2C)CC1 ZINC001286872539 1061278865 /nfs/dbraw/zinc/27/88/65/1061278865.db2.gz WAAGZZPEMODFQN-TZIWHRDSSA-N 0 3 460.667 2.771 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CCCCc3nc(C)cs3)C[C@@H]2C)CC1 ZINC001286872723 1061279921 /nfs/dbraw/zinc/27/99/21/1061279921.db2.gz XFYUPFWGTLESQA-LAUBAEHRSA-N 0 3 459.664 2.753 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@](C)(O)c3ccsc3)C[C@@H]2C)CC1 ZINC001286872767 1061280943 /nfs/dbraw/zinc/28/09/43/1061280943.db2.gz XQVYOALHGMXOHD-SWHJIRTISA-N 0 3 488.702 2.825 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[C@H]3CCOC3)C[C@@H]2C)CC1 ZINC001286872805 1061281917 /nfs/dbraw/zinc/28/19/17/1061281917.db2.gz YJPMGICZMGHKCR-ILWGZMRPSA-N 0 3 460.667 2.672 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3cccc(O)c3)C[C@@H]2C)CC1 ZINC001286872950 1061283228 /nfs/dbraw/zinc/28/32/28/1061283228.db2.gz ZEWBJKJCNJRTFR-WMZHIEFXSA-N 0 3 468.646 3.000 20 0 JFADHN CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCN(C)C(C)(C)C2)[C@@H](C)C1 ZINC001286877630 1061296013 /nfs/dbraw/zinc/29/60/13/1061296013.db2.gz YODNVPRAWQBUHR-KRWDZBQOSA-N 0 3 492.043 2.821 20 0 JFADHN Cc1ccc(F)c(CN(C)c2nnc([C@@H]3CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001289706914 1061317505 /nfs/dbraw/zinc/31/75/05/1061317505.db2.gz ZHIZXLKZTRFUOZ-DENIHFKCSA-N 0 3 472.609 2.809 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N(C)CC3CCOCC3)n2C[C@H]2CCCN2CCCO)cc1C ZINC001289726392 1061334222 /nfs/dbraw/zinc/33/42/22/1061334222.db2.gz RBDCLDCYXBCYHZ-HSZRJFAPSA-N 0 3 484.645 2.857 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H](C)N2CCC(C)CC2)cc1C ZINC001289728899 1061338443 /nfs/dbraw/zinc/33/84/43/1061338443.db2.gz JUZURIJJILMMMJ-UXHICEINSA-N 0 3 467.618 2.579 20 0 JFADHN CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CCN(C)C(C)(C)C2)[C@@H](C)C1 ZINC001286888729 1061343146 /nfs/dbraw/zinc/34/31/46/1061343146.db2.gz QMYVGBVJNZLVDL-NRFANRHFSA-N 0 3 499.729 2.962 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCN2CCCC(C)(C)C2)cc1C ZINC001289740779 1061355582 /nfs/dbraw/zinc/35/55/82/1061355582.db2.gz PXDVMXIYXNQBKD-HXUWFJFHSA-N 0 3 481.645 2.936 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H](C)N2CCC(C)CC2)cc1C ZINC001289741467 1061356968 /nfs/dbraw/zinc/35/69/68/1061356968.db2.gz YNDQCQQVUPWYMY-LEWJYISDSA-N 0 3 481.645 2.969 20 0 JFADHN CC(=O)Nc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(CN3CCOCC3)CC2)cn1 ZINC001286894938 1061373777 /nfs/dbraw/zinc/37/37/77/1061373777.db2.gz LHKBDACIUYYOMW-UHFFFAOYSA-N 0 3 469.634 2.817 20 0 JFADHN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CCNC(=O)c2ccco2)cc1 ZINC001289825560 1061497673 /nfs/dbraw/zinc/49/76/73/1061497673.db2.gz CHCIYOFFWJHHJC-UHFFFAOYSA-N 0 3 466.586 2.967 20 0 JFADHN CC(=O)NC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN(C)Cc2ccccc2)CC1 ZINC001286916670 1061500816 /nfs/dbraw/zinc/50/08/16/1061500816.db2.gz PVDGEKIPWYHRPI-SANMLTNESA-N 0 3 484.645 2.556 20 0 JFADHN CC(=O)NC1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001286918475 1061506426 /nfs/dbraw/zinc/50/64/26/1061506426.db2.gz GLJIJZPMZGSGKX-XMMPIXPASA-N 0 3 461.614 2.980 20 0 JFADHN CC(=O)NC1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001286919601 1061510236 /nfs/dbraw/zinc/51/02/36/1061510236.db2.gz MMERBTBMACREII-JOCHJYFZSA-N 0 3 451.550 2.887 20 0 JFADHN Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCCCO3)nnc2N2CCN(CC(C)C)CC2)s1 ZINC001289856008 1061532975 /nfs/dbraw/zinc/53/29/75/1061532975.db2.gz LQCHTVSSRFQBBT-LJQANCHMSA-N 0 3 496.703 2.646 20 0 JFADHN CC(=O)NC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001286928090 1061546942 /nfs/dbraw/zinc/54/69/42/1061546942.db2.gz KTEVNGNVVAVXAT-XUZZJYLKSA-N 0 3 496.635 2.934 20 0 JFADHN CC(=O)NCC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CC=CCC2)CC1 ZINC001286934254 1061568199 /nfs/dbraw/zinc/56/81/99/1061568199.db2.gz DJJRJSRGLWTRQD-FGZHOGPDSA-N 0 3 458.651 2.811 20 0 JFADHN CN1CCC(N(Cc2ccccc2)C(=O)c2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)CC1 ZINC001294102580 1061582176 /nfs/dbraw/zinc/58/21/76/1061582176.db2.gz WTFOONLUKRYXQE-UHFFFAOYSA-N 0 3 454.575 2.807 20 0 JFADHN Cc1cccc(-c2nnc(N(C)C3CCN(CCn4cccn4)CC3)n2CCC(C)(C)O)n1 ZINC001289910162 1061601521 /nfs/dbraw/zinc/60/15/21/1061601521.db2.gz VKCHUJGANIJLNL-UHFFFAOYSA-N 0 3 452.607 2.607 20 0 JFADHN Cc1cc(N2CCC(NC(=O)c3n[nH]c4c3CN(C(=O)OC(C)(C)C)CC4)CC2)nc(C)n1 ZINC001294126839 1061610031 /nfs/dbraw/zinc/61/00/31/1061610031.db2.gz JZSKJXNKTOYDAD-UHFFFAOYSA-N 0 3 455.563 2.509 20 0 JFADHN CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001294136490 1061619800 /nfs/dbraw/zinc/61/98/00/1061619800.db2.gz GUGZKHMCNGDJCL-CBNMVNINSA-N 0 3 482.695 2.502 20 0 JFADHN Cc1cccc(-c2nnc(N(C)CCN3CCOCC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)n1 ZINC001289932201 1061625821 /nfs/dbraw/zinc/62/58/21/1061625821.db2.gz SCFQRTJCMMHZSH-QHCPKHFHSA-N 0 3 467.593 2.859 20 0 JFADHN Cc1cccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2C[C@H](C(C)C)N2CCCC2)n1 ZINC001289938358 1061629097 /nfs/dbraw/zinc/62/90/97/1061629097.db2.gz OVEVFJJBFPGNIK-OAQYLSRUSA-N 0 3 460.648 2.782 20 0 JFADHN Cc1cccc(-c2nnc(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)n2CCC(=O)NC(C)(C)C)n1 ZINC001289954477 1061649522 /nfs/dbraw/zinc/64/95/22/1061649522.db2.gz MIXQREUDYSIAOR-OAQYLSRUSA-N 0 3 482.677 2.558 20 0 JFADHN Cc1cccc(-c2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2C[C@](C)(O)CCC(C)C)n1 ZINC001289978923 1061699582 /nfs/dbraw/zinc/69/95/82/1061699582.db2.gz HWUPCJQGUSOIKO-ATIYNZHBSA-N 0 3 483.661 2.579 20 0 JFADHN Cc1cccc(-c2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2CCSC(F)(F)F)n1 ZINC001289980356 1061701449 /nfs/dbraw/zinc/70/14/49/1061701449.db2.gz WKQQDZHWIGNICX-QGZVFWFLSA-N 0 3 483.564 2.644 20 0 JFADHN CCCCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@H](C)N1CCN(CC)CC1 ZINC001294192439 1061701629 /nfs/dbraw/zinc/70/16/29/1061701629.db2.gz DHGKNWWXXPXHRC-FQEVSTJZSA-N 0 3 480.661 2.937 20 0 JFADHN Cc1cccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CC(=O)NCCc2ccccc2)n1 ZINC001289983552 1061706496 /nfs/dbraw/zinc/70/64/96/1061706496.db2.gz PLXDSTQVLFVSQB-UHFFFAOYSA-N 0 3 461.614 2.785 20 0 JFADHN Cc1cccc(-c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CCOCC(F)(F)C(F)F)n1 ZINC001289985164 1061709142 /nfs/dbraw/zinc/70/91/42/1061709142.db2.gz HEIVVZQSSSZERP-QGZVFWFLSA-N 0 3 486.514 2.724 20 0 JFADHN CCCCN(C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001294217699 1061728798 /nfs/dbraw/zinc/72/87/98/1061728798.db2.gz JZOGOFCLXVFWMV-DEOSSOPVSA-N 0 3 491.658 2.709 20 0 JFADHN CCCCN(C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001294219617 1061731344 /nfs/dbraw/zinc/73/13/44/1061731344.db2.gz ZRRRNMHICDINTH-XMMPIXPASA-N 0 3 491.658 2.709 20 0 JFADHN CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001294258169 1061761831 /nfs/dbraw/zinc/76/18/31/1061761831.db2.gz ZMQOUKFJZAEMJY-UHFFFAOYSA-N 0 3 469.634 2.938 20 0 JFADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)CN(C)C ZINC001286977658 1061791457 /nfs/dbraw/zinc/79/14/57/1061791457.db2.gz SHFGQLPJRLXFOG-HLIPFELVSA-N 0 3 479.647 2.636 20 0 JFADHN Cc1cccc(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@]2(O)CCOC2)c1 ZINC001290073505 1061801519 /nfs/dbraw/zinc/80/15/19/1061801519.db2.gz IJHXTXPEGMFPRQ-RUZDIDTESA-N 0 3 457.619 2.875 20 0 JFADHN Cc1cccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CCCN2CCOC2=O)c1 ZINC001290073665 1061802173 /nfs/dbraw/zinc/80/21/73/1061802173.db2.gz KQWBTIMKDPRLOM-UHFFFAOYSA-N 0 3 456.591 2.786 20 0 JFADHN CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCC2)C1 ZINC001294318746 1061819235 /nfs/dbraw/zinc/81/92/35/1061819235.db2.gz WOLVERNVMQHRCW-PMACEKPBSA-N 0 3 482.633 2.542 20 0 JFADHN CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCN2CC=CCC2)C1 ZINC001294349194 1061914115 /nfs/dbraw/zinc/91/41/15/1061914115.db2.gz NWDSHIQPTWTLLM-QFIPXVFZSA-N 0 3 451.619 2.659 20 0 JFADHN Cc1ccccc1OCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001290206302 1061951436 /nfs/dbraw/zinc/95/14/36/1061951436.db2.gz HSLNTQRRJVOGJG-HSZRJFAPSA-N 0 3 497.688 2.799 20 0 JFADHN CCCCOc1ncccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001294382622 1061955798 /nfs/dbraw/zinc/95/57/98/1061955798.db2.gz PKSDOCYOPCEKMJ-LJQANCHMSA-N 0 3 455.607 2.772 20 0 JFADHN CCCCOCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001294410050 1061977173 /nfs/dbraw/zinc/97/71/73/1061977173.db2.gz GQEVXKRJUZDTQL-QFIPXVFZSA-N 0 3 472.609 2.568 20 0 JFADHN C[C@@H]1CN(CCCCNC(=O)C2=NO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C[C@H](C)O1 ZINC001294414286 1061980024 /nfs/dbraw/zinc/98/00/24/1061980024.db2.gz JPVZEZIWQKRCTK-IEGUWTFLSA-N 0 3 452.596 2.538 20 0 JFADHN CC1CCN(S(=O)(=O)c2ccc(C(=O)NCCCCN3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC001294414881 1061980525 /nfs/dbraw/zinc/98/05/25/1061980525.db2.gz QHKDFHYMFKBTLI-PMACEKPBSA-N 0 3 451.633 2.726 20 0 JFADHN CC(C)(C)Cc1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1CCN1CC=CCC1 ZINC001287034920 1061999251 /nfs/dbraw/zinc/99/92/51/1061999251.db2.gz BGWJYRUZBMPXNU-UHFFFAOYSA-N 0 3 490.649 2.779 20 0 JFADHN Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3CCCN3CCC[C@@H]3C(=O)N(C)C)CC2)c1 ZINC001290270679 1061999563 /nfs/dbraw/zinc/99/95/63/1061999563.db2.gz BDRQSVZWRHJOBG-JOCHJYFZSA-N 0 3 484.693 2.940 20 0 JFADHN Cc1cnn([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCN3CCCC(C)(C)C3)C2)c1 ZINC001290270580 1061999787 /nfs/dbraw/zinc/99/97/87/1061999787.db2.gz BFRHOROIPMWMCB-FQEVSTJZSA-N 0 3 456.639 2.885 20 0 JFADHN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001290272193 1062002134 /nfs/dbraw/zinc/00/21/34/1062002134.db2.gz XYUUMIDUZQODPC-UBFVSLLYSA-N 0 3 456.675 2.930 20 0 JFADHN CC(C)(C)Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCOCC(F)(F)C(F)F ZINC001287036243 1062002495 /nfs/dbraw/zinc/00/24/95/1062002495.db2.gz VCPVEJPMBDKESW-INIZCTEOSA-N 0 3 465.536 2.942 20 0 JFADHN Cc1cnn(CC2CCN(c3nnc(CC(C)C)n3CCCN3CCC[C@H]3C(=O)N(C)C)CC2)c1 ZINC001290274064 1062005290 /nfs/dbraw/zinc/00/52/90/1062005290.db2.gz UBUQBYJGDDBYRI-QHCPKHFHSA-N 0 3 484.693 2.841 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001287039889 1062006774 /nfs/dbraw/zinc/00/67/74/1062006774.db2.gz OXDJPVAAJSRISZ-UHFFFAOYSA-N 0 3 487.693 2.911 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(C)(C)O)CC1 ZINC001287041573 1062009558 /nfs/dbraw/zinc/00/95/58/1062009558.db2.gz MQLAIXJUVMTHAU-UHFFFAOYSA-N 0 3 462.664 2.989 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001287041528 1062009587 /nfs/dbraw/zinc/00/95/87/1062009587.db2.gz KRRQJAYEMVHYPH-UHFFFAOYSA-N 0 3 456.639 2.722 20 0 JFADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)CC1 ZINC001287042472 1062012149 /nfs/dbraw/zinc/01/21/49/1062012149.db2.gz AJOJQSCVOGCQPI-KRWDZBQOSA-N 0 3 465.524 2.806 20 0 JFADHN CC(C)(C)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)CC1 ZINC001287042474 1062012392 /nfs/dbraw/zinc/01/23/92/1062012392.db2.gz AJOJQSCVOGCQPI-QGZVFWFLSA-N 0 3 465.524 2.806 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 ZINC001287042938 1062013959 /nfs/dbraw/zinc/01/39/59/1062013959.db2.gz JHRNREBKUCICHS-ICSRJNTNSA-N 0 3 475.659 2.820 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(Cc3ccccn3)n2CC(=O)Nc2ccc(F)cc2)CC1 ZINC001287043501 1062015027 /nfs/dbraw/zinc/01/50/27/1062015027.db2.gz FTFKXHAVXJFHKV-UHFFFAOYSA-N 0 3 451.550 2.962 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[C@H](O)C2)CC1 ZINC001287043514 1062015704 /nfs/dbraw/zinc/01/57/04/1062015704.db2.gz GDFGKDYBQDTESI-MSOLQXFVSA-N 0 3 460.648 2.741 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC001287043515 1062015882 /nfs/dbraw/zinc/01/58/82/1062015882.db2.gz GDFGKDYBQDTESI-QZTJIDSGSA-N 0 3 460.648 2.741 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)CC1 ZINC001287043553 1062016028 /nfs/dbraw/zinc/01/60/28/1062016028.db2.gz HDBDPYCKTLXHCP-UHFFFAOYSA-N 0 3 489.024 2.605 20 0 JFADHN CC(C)(C)N1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)NCc2ccccc2)CC1 ZINC001287043575 1062016336 /nfs/dbraw/zinc/01/63/36/1062016336.db2.gz IEZXJRIPCOTLTP-NRFANRHFSA-N 0 3 454.619 2.799 20 0 JFADHN CC(C)(C)N1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 ZINC001287044647 1062020263 /nfs/dbraw/zinc/02/02/63/1062020263.db2.gz MAYAFYKBHYPDGX-HXUWFJFHSA-N 0 3 461.632 2.643 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(COc3ccc(F)cc3)n2CCNC(=O)c2ccco2)CC1 ZINC001287045885 1062026026 /nfs/dbraw/zinc/02/60/26/1062026026.db2.gz ZJXKQIXHSZRIQG-UHFFFAOYSA-N 0 3 470.549 2.940 20 0 JFADHN CC(C)(C)NC(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001287047656 1062034282 /nfs/dbraw/zinc/03/42/82/1062034282.db2.gz LZWFDUBHDJBIPT-UHFFFAOYSA-N 0 3 488.608 2.602 20 0 JFADHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001294519363 1062055811 /nfs/dbraw/zinc/05/58/11/1062055811.db2.gz DCWMLUZJRRIMEP-UXHICEINSA-N 0 3 492.665 2.766 20 0 JFADHN CC(C)(C)OC(=O)NC1(Cn2c(N3CCN(C4CCCC4)CC3)nnc2C(C)(C)C)COC1 ZINC001287057733 1062082610 /nfs/dbraw/zinc/08/26/10/1062082610.db2.gz XVJCJTIKVUNIGJ-UHFFFAOYSA-N 0 3 462.639 2.934 20 0 JFADHN Cc1nc(Cc2nnc(N(C)CC(C)(C)CN3CCOCC3)n2CCN2CC=CCC2)cs1 ZINC001290388810 1062092893 /nfs/dbraw/zinc/09/28/93/1062092893.db2.gz YPMRRJLUCUJUPE-UHFFFAOYSA-N 0 3 473.691 2.690 20 0 JFADHN Cc1nc(Cc2nnc(N(C)Cc3cscn3)n2CCN2CCN(C)C(C)(C)C2)cs1 ZINC001290394510 1062096737 /nfs/dbraw/zinc/09/67/37/1062096737.db2.gz PCQLQLVIKAZWRP-UHFFFAOYSA-N 0 3 460.677 2.753 20 0 JFADHN CCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001294616696 1062126158 /nfs/dbraw/zinc/12/61/58/1062126158.db2.gz KQOCPKNIZDJWJR-HTAPYJJXSA-N 0 3 460.573 2.936 20 0 JFADHN CCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001294616701 1062126228 /nfs/dbraw/zinc/12/62/28/1062126228.db2.gz KQOCPKNIZDJWJR-VGOFRKELSA-N 0 3 460.573 2.936 20 0 JFADHN CC(C)(C)OC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001287068732 1062174354 /nfs/dbraw/zinc/17/43/54/1062174354.db2.gz FNWFYZGQNUQJQM-IBGZPJMESA-N 0 3 475.638 2.599 20 0 JFADHN Cc1nc(Cc2nnc(N3CCCN(C(C)C)CC3)n2CC2([S@](C)=O)CCC2)cs1 ZINC001290429255 1062183652 /nfs/dbraw/zinc/18/36/52/1062183652.db2.gz ZRXIFOMSOMKOOK-PMERELPUSA-N 0 3 450.678 2.856 20 0 JFADHN CC(C)(C)OC(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001287070153 1062189140 /nfs/dbraw/zinc/18/91/40/1062189140.db2.gz QONPAEBOFDLMEH-UHFFFAOYSA-N 0 3 485.633 2.804 20 0 JFADHN CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001294658406 1062204502 /nfs/dbraw/zinc/20/45/02/1062204502.db2.gz PNLYHGDZDBGVFY-YQVWRLOYSA-N 0 3 455.694 2.632 20 0 JFADHN CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCOc2ccccc2)CC1 ZINC001294659416 1062207905 /nfs/dbraw/zinc/20/79/05/1062207905.db2.gz VLUWHZBMFBUPNX-OAQYLSRUSA-N 0 3 475.659 2.817 20 0 JFADHN CCCN1CC[C@@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC001294662440 1062214136 /nfs/dbraw/zinc/21/41/36/1062214136.db2.gz NAFFZGRAHNGJDO-RTBURBONSA-N 0 3 472.659 2.951 20 0 JFADHN CCCN1CC[C@@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001294662439 1062214259 /nfs/dbraw/zinc/21/42/59/1062214259.db2.gz NAFFZGRAHNGJDO-RBUKOAKNSA-N 0 3 472.659 2.951 20 0 JFADHN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1CCCN1CCOCC1 ZINC001287087381 1062267270 /nfs/dbraw/zinc/26/72/70/1062267270.db2.gz AVUHJOVUSBKRJF-NHCUHLMSSA-N 0 3 462.683 2.840 20 0 JFADHN Cc1ncc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C)N2CCCCC2)s1 ZINC001290481163 1062271216 /nfs/dbraw/zinc/27/12/16/1062271216.db2.gz RTADBDQMPLWOAJ-FUHWJXTLSA-N 0 3 466.677 2.846 20 0 JFADHN CCC[N@@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001294707769 1062272577 /nfs/dbraw/zinc/27/25/77/1062272577.db2.gz AQKOGEWCNABBIW-OAQYLSRUSA-N 0 3 470.618 2.747 20 0 JFADHN CCC[N@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001294707769 1062272595 /nfs/dbraw/zinc/27/25/95/1062272595.db2.gz AQKOGEWCNABBIW-OAQYLSRUSA-N 0 3 470.618 2.747 20 0 JFADHN CCC[N@@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001294707767 1062273037 /nfs/dbraw/zinc/27/30/37/1062273037.db2.gz AQKOGEWCNABBIW-NRFANRHFSA-N 0 3 470.618 2.747 20 0 JFADHN CCC[N@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001294707767 1062273061 /nfs/dbraw/zinc/27/30/61/1062273061.db2.gz AQKOGEWCNABBIW-NRFANRHFSA-N 0 3 470.618 2.747 20 0 JFADHN Cc1nccn1CCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC001290511375 1062311051 /nfs/dbraw/zinc/31/10/51/1062311051.db2.gz SGCQRTZCQBVGLM-UHFFFAOYSA-N 0 3 482.608 2.863 20 0 JFADHN Cc1nccn1CCCn1c(CC(C)(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001290514636 1062313491 /nfs/dbraw/zinc/31/34/91/1062313491.db2.gz AADXZGWQZFXKJI-UHFFFAOYSA-N 0 3 453.639 2.908 20 0 JFADHN CCCN1CCCN(c2nnc(Cc3ccccn3)n2CCN(C)Cc2ccccc2)CC1=O ZINC001294735427 1062320429 /nfs/dbraw/zinc/32/04/29/1062320429.db2.gz RLMUZDMJSHOLIW-UHFFFAOYSA-N 0 3 461.614 2.845 20 0 JFADHN Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCC[C@H](C)C1 ZINC001290541370 1062341290 /nfs/dbraw/zinc/34/12/90/1062341290.db2.gz FIQBVFRDHSXRAL-KRWDZBQOSA-N 0 3 465.606 2.644 20 0 JFADHN CC(C)C(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001287120162 1062361700 /nfs/dbraw/zinc/36/17/00/1062361700.db2.gz ZXPSDHOAXXGKAW-FQEVSTJZSA-N 0 3 461.699 2.634 20 0 JFADHN CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001287120164 1062361811 /nfs/dbraw/zinc/36/18/11/1062361811.db2.gz ZXPSDHOAXXGKAW-HXUWFJFHSA-N 0 3 461.699 2.634 20 0 JFADHN CC(C)C(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2N(C)CCCC2(C)C)CC1 ZINC001287120996 1062365677 /nfs/dbraw/zinc/36/56/77/1062365677.db2.gz TYFISNHDLIQBEI-HXUWFJFHSA-N 0 3 496.660 2.787 20 0 JFADHN CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001287121891 1062370012 /nfs/dbraw/zinc/37/00/12/1062370012.db2.gz JLMFTQYEEBTCKA-SFTDATJTSA-N 0 3 489.709 2.507 20 0 JFADHN CCCNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)N(CC)C[C@H]2C)c1 ZINC001294771173 1062370297 /nfs/dbraw/zinc/37/02/97/1062370297.db2.gz NRWVMKIRYYFLQX-VQTJNVASSA-N 0 3 481.645 2.621 20 0 JFADHN CCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001294780856 1062384646 /nfs/dbraw/zinc/38/46/46/1062384646.db2.gz OLORDSJSDAFKGC-GOTSBHOMSA-N 0 3 495.672 2.824 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H](c2cccs2)N(C)C)n1 ZINC001290590658 1062406038 /nfs/dbraw/zinc/40/60/38/1062406038.db2.gz NMAXSOKVQHUILV-GOSISDBHSA-N 0 3 472.663 2.855 20 0 JFADHN CC(C)C(=O)NCCN(C)c1nnc(-c2cc3ccccc3o2)n1CCN1CCN(C)C(C)(C)C1 ZINC001287132098 1062431268 /nfs/dbraw/zinc/43/12/68/1062431268.db2.gz ZUXQEWQMBTVCSB-UHFFFAOYSA-N 0 3 481.645 2.926 20 0 JFADHN CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001294797500 1062433571 /nfs/dbraw/zinc/43/35/71/1062433571.db2.gz SBZXEGFLRMECBV-ZLNRFVROSA-N 0 3 495.672 2.837 20 0 JFADHN CCCNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001294800022 1062440897 /nfs/dbraw/zinc/44/08/97/1062440897.db2.gz JMLXZRXJROXLJV-HXUWFJFHSA-N 0 3 461.699 2.635 20 0 JFADHN CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCOC2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001287133218 1062440846 /nfs/dbraw/zinc/44/08/46/1062440846.db2.gz QRWRPYLEZPEKED-JOCHJYFZSA-N 0 3 468.646 2.827 20 0 JFADHN C[C@H]1C[C@@H](NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CN1Cc1ccccc1 ZINC001294801247 1062444119 /nfs/dbraw/zinc/44/41/19/1062444119.db2.gz GBXZKBMDLBQBPH-WMLDXEAASA-N 0 3 456.340 2.824 20 0 JFADHN CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccco1)N1CCCC1 ZINC001287133874 1062445928 /nfs/dbraw/zinc/44/59/28/1062445928.db2.gz XAEZBZHMVRPGCM-UXHICEINSA-N 0 3 458.607 2.811 20 0 JFADHN CCCNC(=O)[C@@H]1CCCN(c2nnc(CC3CCCC3)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001294809616 1062463872 /nfs/dbraw/zinc/46/38/72/1062463872.db2.gz BKIMZYRRAUZFKS-FYYLOGMGSA-N 0 3 473.710 2.779 20 0 JFADHN CC(C)C(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001287138665 1062486011 /nfs/dbraw/zinc/48/60/11/1062486011.db2.gz AKGJMALWFJDNIL-GOSISDBHSA-N 0 3 490.599 2.609 20 0 JFADHN CC(C)[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001287144790 1062509444 /nfs/dbraw/zinc/50/94/44/1062509444.db2.gz IJYYJVMZQYUIEY-HTAPYJJXSA-N 0 3 495.466 2.612 20 0 JFADHN CC(C)[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001287144797 1062509574 /nfs/dbraw/zinc/50/95/74/1062509574.db2.gz IJYYJVMZQYUIEY-VGSWGCGISA-N 0 3 495.466 2.612 20 0 JFADHN CCCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001294828101 1062514629 /nfs/dbraw/zinc/51/46/29/1062514629.db2.gz JURTWADLJDUMNV-NRFANRHFSA-N 0 3 472.609 2.796 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C)CN2CCCCC2)n1 ZINC001290638328 1062521316 /nfs/dbraw/zinc/52/13/16/1062521316.db2.gz BICKMAXQZRLMJQ-SIKLNZKXSA-N 0 3 491.706 2.665 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCCC[C@H](C)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001290640133 1062525815 /nfs/dbraw/zinc/52/58/15/1062525815.db2.gz RSQCVBZQMXHNJW-SIKLNZKXSA-N 0 3 470.666 2.709 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2nccc(C(F)F)n2)n1 ZINC001290642399 1062532695 /nfs/dbraw/zinc/53/26/95/1062532695.db2.gz ZIMWLCXEUREVOO-UHFFFAOYSA-N 0 3 459.549 2.836 20 0 JFADHN CCCNC(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001294846686 1062542852 /nfs/dbraw/zinc/54/28/52/1062542852.db2.gz UOGFLTMBMGVLLG-QGZVFWFLSA-N 0 3 479.000 2.812 20 0 JFADHN CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001287156925 1062545725 /nfs/dbraw/zinc/54/57/25/1062545725.db2.gz RVEYFBMEJANXBH-TZIWHRDSSA-N 0 3 460.648 2.864 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H](c2ccc(F)cc2)N(C)C)n1 ZINC001290651444 1062550359 /nfs/dbraw/zinc/55/03/59/1062550359.db2.gz CMPRFJVXQUBIMO-HVETUWLQSA-N 0 3 455.582 2.789 20 0 JFADHN CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)N1CCCC1 ZINC001287163075 1062566892 /nfs/dbraw/zinc/56/68/92/1062566892.db2.gz UIKGVOJWFVRUSL-DYXWJJEUSA-N 0 3 462.664 2.642 20 0 JFADHN Cc1cc(C)n(C[C@H]2CN(c3nnc(CC(C)(C)C)n3CCN3CCN(C)C(C)(C)C3)CCO2)n1 ZINC001290660400 1062566850 /nfs/dbraw/zinc/56/68/50/1062566850.db2.gz MPOHXNYXBXGVRG-JOCHJYFZSA-N 0 3 486.709 2.611 20 0 JFADHN CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)N1CCCC1 ZINC001287163077 1062566935 /nfs/dbraw/zinc/56/69/35/1062566935.db2.gz UIKGVOJWFVRUSL-SBHAEUEKSA-N 0 3 462.664 2.642 20 0 JFADHN CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)N1CCCC1 ZINC001287163079 1062566971 /nfs/dbraw/zinc/56/69/71/1062566971.db2.gz UIKGVOJWFVRUSL-ZJOUEHCJSA-N 0 3 462.664 2.642 20 0 JFADHN CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001287164621 1062574633 /nfs/dbraw/zinc/57/46/33/1062574633.db2.gz LIDUBWHJQBHILU-SLFFLAALSA-N 0 3 453.653 2.654 20 0 JFADHN CC(C)c1csc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCC3)CC2)n1 ZINC001287167557 1062580250 /nfs/dbraw/zinc/58/02/50/1062580250.db2.gz UBVLNPQMNRFPDZ-INIZCTEOSA-N 0 3 481.692 2.581 20 0 JFADHN Cc1nnc(CCCn2c(CC(C)C)nnc2N2CC[C@H](N3CCN(C(C)C)CC3)C2)s1 ZINC001290679761 1062591789 /nfs/dbraw/zinc/59/17/89/1062591789.db2.gz KXPALYAABJHBIG-FQEVSTJZSA-N 0 3 460.696 2.874 20 0 JFADHN CC(C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001287191201 1062616790 /nfs/dbraw/zinc/61/67/90/1062616790.db2.gz AERDDNBXPOBUIG-ZHRRBRCNSA-N 0 3 459.620 2.580 20 0 JFADHN Cc1nnc(N(C)CCCNC(=O)C2CCC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001290734568 1062656538 /nfs/dbraw/zinc/65/65/38/1062656538.db2.gz ZFRFQAIGJIBHPK-HSZRJFAPSA-N 0 3 454.619 2.620 20 0 JFADHN CC(C)c1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001287212093 1062666195 /nfs/dbraw/zinc/66/61/95/1062666195.db2.gz MBKVCONFISGHPH-UHFFFAOYSA-N 0 3 485.652 2.919 20 0 JFADHN Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001290800005 1062704692 /nfs/dbraw/zinc/70/46/92/1062704692.db2.gz IGHZAMCEEFCPFG-LJQANCHMSA-N 0 3 453.509 2.771 20 0 JFADHN O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001290802916 1062706854 /nfs/dbraw/zinc/70/68/54/1062706854.db2.gz CJIOGRPVVQBJHV-QGZVFWFLSA-N 0 3 455.502 2.765 20 0 JFADHN Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001290808003 1062709981 /nfs/dbraw/zinc/70/99/81/1062709981.db2.gz AQDAAUIIUUZJJV-JOCHJYFZSA-N 0 3 467.549 2.570 20 0 JFADHN CCCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCC3)CC2)cc1 ZINC001294948625 1062734572 /nfs/dbraw/zinc/73/45/72/1062734572.db2.gz DJCCOQRYJJWQRW-IBGZPJMESA-N 0 3 490.674 2.790 20 0 JFADHN CC(C)[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2N(C)CCCC2(C)C)CCO1 ZINC001287273860 1062746708 /nfs/dbraw/zinc/74/67/08/1062746708.db2.gz GJJCBYAQJFUNKN-OALUTQOASA-N 0 3 455.607 2.907 20 0 JFADHN CCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)cn1 ZINC001294969385 1062751575 /nfs/dbraw/zinc/75/15/75/1062751575.db2.gz UYZBXZXRPSCTDE-OALUTQOASA-N 0 3 455.607 2.552 20 0 JFADHN CCCOc1cccc(CCn2c(C)nnc2N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)c1 ZINC001294972882 1062755846 /nfs/dbraw/zinc/75/58/46/1062755846.db2.gz OJQBKKXTEZZHKX-NBGIEHNGSA-N 0 3 468.646 2.997 20 0 JFADHN Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001290877427 1062762551 /nfs/dbraw/zinc/76/25/51/1062762551.db2.gz WDIYWMIIQWKJKY-UHFFFAOYSA-N 0 3 454.497 2.520 20 0 JFADHN Cc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001290881713 1062764262 /nfs/dbraw/zinc/76/42/62/1062764262.db2.gz CJYAOCJYUMHRCA-HXUWFJFHSA-N 0 3 477.451 2.953 20 0 JFADHN CC(C)[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN2CCN(C)C(C)(C)C2)CCS1 ZINC001287292575 1062765791 /nfs/dbraw/zinc/76/57/91/1062765791.db2.gz PTMUJGPUWPJGHE-NRFANRHFSA-N 0 3 457.692 2.868 20 0 JFADHN C[C@@H]1CN(c2ccc(CNC(=O)CCN3CCN(c4cccc(Cl)c4)CC3)cn2)CCO1 ZINC001290893663 1062769593 /nfs/dbraw/zinc/76/95/93/1062769593.db2.gz FXBZANDFKVQEMC-LJQANCHMSA-N 0 3 458.006 2.789 20 0 JFADHN Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC001290898282 1062771633 /nfs/dbraw/zinc/77/16/33/1062771633.db2.gz VOSUCGGFFUQLJT-CTNGQTDRSA-N 0 3 469.634 2.901 20 0 JFADHN CC(C)C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1)[NH+](C)C ZINC001287327807 1062801705 /nfs/dbraw/zinc/80/17/05/1062801705.db2.gz BCQUEEQFSRJJOA-LJQANCHMSA-N 0 3 465.602 2.918 20 0 JFADHN CC(C)C[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS(=O)(=O)CC1)N(C)C ZINC001287335085 1062813162 /nfs/dbraw/zinc/81/31/62/1062813162.db2.gz ZBJMRNRHZNLYDL-LJQANCHMSA-N 0 3 472.615 2.811 20 0 JFADHN CC(C)Cc1nnc(N(C)C[C@H]2COc3ccccc3O2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001287373074 1062832413 /nfs/dbraw/zinc/83/24/13/1062832413.db2.gz VAXRZLSSWIUKFA-LEWJYISDSA-N 0 3 484.645 2.696 20 0 JFADHN CC(C)Cc1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001287420422 1062859838 /nfs/dbraw/zinc/85/98/38/1062859838.db2.gz QNCGYRDTGLNOFZ-NVQXNPDNSA-N 0 3 486.636 2.656 20 0 JFADHN CC(C)Cc1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001287422256 1062862256 /nfs/dbraw/zinc/86/22/56/1062862256.db2.gz VVEOOWGUGWPUFF-LEWJYISDSA-N 0 3 457.598 2.959 20 0 JFADHN C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(Br)cc2)n1CCN1CCCCC1 ZINC001290985507 1062871207 /nfs/dbraw/zinc/87/12/07/1062871207.db2.gz IORVCOYKUIVMMO-QGZVFWFLSA-N 0 3 491.434 2.772 20 0 JFADHN CC(C)O[C@@]1(c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCOC1 ZINC001291002499 1062899729 /nfs/dbraw/zinc/89/97/29/1062899729.db2.gz VMINUOSMSZRGNO-MSZDEVHKSA-N 0 3 490.693 2.744 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001287462907 1062903774 /nfs/dbraw/zinc/90/37/74/1062903774.db2.gz VAYXGTBREFGMHD-OFVILXPXSA-N 0 3 489.064 2.781 20 0 JFADHN CC(C)Cc1nnc(N2CCN(c3ncc(F)cn3)CC2)n1CCN(C)Cc1ccccc1 ZINC001287471588 1062920102 /nfs/dbraw/zinc/92/01/02/1062920102.db2.gz OREPDXMLSPKPMV-UHFFFAOYSA-N 0 3 452.582 2.864 20 0 JFADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CCCN1C[C@H](C)C[C@H](C)C1 ZINC001291013782 1062921887 /nfs/dbraw/zinc/92/18/87/1062921887.db2.gz RQYQKPXGCJYZQW-FDKIHUSFSA-N 0 3 469.696 2.798 20 0 JFADHN C[C@@H]1C[C@@H](C)CN(CCCn2c(Cc3ccccc3F)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001291014392 1062923851 /nfs/dbraw/zinc/92/38/51/1062923851.db2.gz CFHXHPDGIOPNRW-RTBURBONSA-N 0 3 465.639 2.857 20 0 JFADHN C[C@@H]1C[C@@H](C)CN(CCCn2c(COc3ccccc3F)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291015166 1062925014 /nfs/dbraw/zinc/92/50/14/1062925014.db2.gz NDSNKSMISZUPFB-VAMGGRTRSA-N 0 3 493.649 2.988 20 0 JFADHN C[C@H]1C[C@H](C)CN(CCCn2c(COc3ccc(F)cc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001291015208 1062926173 /nfs/dbraw/zinc/92/61/73/1062926173.db2.gz NVSRDMXNRBMTMY-OALUTQOASA-N 0 3 479.622 2.599 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001287476329 1062928834 /nfs/dbraw/zinc/92/88/34/1062928834.db2.gz ISRJRTDDAPPIHU-CTNGQTDRSA-N 0 3 486.636 2.649 20 0 JFADHN O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001295109606 1062934282 /nfs/dbraw/zinc/93/42/82/1062934282.db2.gz XLVAMEMQZBSFST-QFIPXVFZSA-N 0 3 456.612 2.536 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C3CCOCC3)CC2)n1CCCn1cc(Br)cn1 ZINC001287477489 1062934482 /nfs/dbraw/zinc/93/44/82/1062934482.db2.gz ZJAPIEBGTWOCPD-UHFFFAOYSA-N 0 3 480.455 2.827 20 0 JFADHN CCN(c1nnc(C(C)C)n1C[C@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295140501 1062958633 /nfs/dbraw/zinc/95/86/33/1062958633.db2.gz CSBQDOCJQZXAJS-FCHUYYIVSA-N 0 3 459.660 2.980 20 0 JFADHN CCN(c1nnc(C(C)C)n1C[C@@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295140643 1062958974 /nfs/dbraw/zinc/95/89/74/1062958974.db2.gz CSBQDOCJQZXAJS-FGZHOGPDSA-N 0 3 459.660 2.980 20 0 JFADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CCN(C)Cc1ccc(F)cc1 ZINC001291043357 1062972104 /nfs/dbraw/zinc/97/21/04/1062972104.db2.gz BPZBWNXWHSWZAO-SQNIBIBYSA-N 0 3 466.627 2.784 20 0 JFADHN CC(C)O[C@@]1(c2nnc(N3CCN(C4CCC(C)CC4)CC3)n2CCCC(=O)N(C)C)CCOC1 ZINC001291061368 1062996870 /nfs/dbraw/zinc/99/68/70/1062996870.db2.gz IWARQEHBSCWOPW-LUFKIMSYSA-N 0 3 490.693 2.888 20 0 JFADHN CC(C)N(C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCS(C)(=O)=O ZINC001291064852 1063008478 /nfs/dbraw/zinc/00/84/78/1063008478.db2.gz PRHBVQYXFROVQL-INIZCTEOSA-N 0 3 453.678 2.952 20 0 JFADHN CC(C)CCOc1ccc(-c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CC(=O)N(C)C)cc1 ZINC001287635568 1063013535 /nfs/dbraw/zinc/01/35/35/1063013535.db2.gz GTCAHMUDPBQSGW-NRFANRHFSA-N 0 3 484.645 2.617 20 0 JFADHN C[C@@H]1CCC[C@@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccn2)(N(C)C)C1 ZINC001291067398 1063013966 /nfs/dbraw/zinc/01/39/66/1063013966.db2.gz AMCCNCSKTWXQBE-DNVFCKCGSA-N 0 3 460.648 2.722 20 0 JFADHN C[C@H]([C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)S(C)(=O)=O ZINC001291068013 1063015501 /nfs/dbraw/zinc/01/55/01/1063015501.db2.gz ICGYGMOBVSXILV-XPEFGHIFSA-N 0 3 455.669 2.550 20 0 JFADHN COc1ccc([C@H](CN2CCCC2)NC(=O)C2=NOC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001295211721 1063026185 /nfs/dbraw/zinc/02/61/85/1063026185.db2.gz LIKXIJFPUUADLI-FQEVSTJZSA-N 0 3 458.559 2.714 20 0 JFADHN CCN(c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295219777 1063037820 /nfs/dbraw/zinc/03/78/20/1063037820.db2.gz VPIGZXSWYCPZOS-INIZCTEOSA-N 0 3 469.602 2.748 20 0 JFADHN CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295229533 1063052023 /nfs/dbraw/zinc/05/20/23/1063052023.db2.gz YRMWXCGYBSDZIC-FCHUYYIVSA-N 0 3 474.675 2.645 20 0 JFADHN CCN(c1nnc(Cc2csc(C)n2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295235254 1063055356 /nfs/dbraw/zinc/05/53/56/1063055356.db2.gz LTNNBYKLXTWZAP-PXNSSMCTSA-N 0 3 480.704 2.912 20 0 JFADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1CCCN1CCCC[C@H]1C ZINC001291100290 1063068201 /nfs/dbraw/zinc/06/82/01/1063068201.db2.gz XIXNNLFNAIRCMS-AABGKKOBSA-N 0 3 462.664 2.786 20 0 JFADHN CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295256584 1063073353 /nfs/dbraw/zinc/07/33/53/1063073353.db2.gz NTNVDWVMTJWUFT-QUCCMNQESA-N 0 3 479.622 2.742 20 0 JFADHN C[C@@H]1CCCN(C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001291102179 1063076133 /nfs/dbraw/zinc/07/61/33/1063076133.db2.gz IOZUOPSVQKZQOX-RTBURBONSA-N 0 3 467.680 2.696 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001287751509 1063077675 /nfs/dbraw/zinc/07/76/75/1063077675.db2.gz XNIWCKNIEDAWRH-BBWFWOEESA-N 0 3 480.601 2.960 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001295263017 1063079041 /nfs/dbraw/zinc/07/90/41/1063079041.db2.gz VFIDSVYVSHUKPH-UAFMIMERSA-N 0 3 469.696 2.940 20 0 JFADHN CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)N1C[C@H](C)C[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295263384 1063079144 /nfs/dbraw/zinc/07/91/44/1063079144.db2.gz WYUJHXFYQCLCJB-IYWMVGAKSA-N 0 3 467.680 2.900 20 0 JFADHN CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295264974 1063081651 /nfs/dbraw/zinc/08/16/51/1063081651.db2.gz ZWEMKXXJEIGICW-PLACYPQZSA-N 0 3 481.707 2.942 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cccnc3)n2CCN(C)Cc2ccc(F)cc2)CC1=O ZINC001287761370 1063087247 /nfs/dbraw/zinc/08/72/47/1063087247.db2.gz YGKUKCZGMHNTMA-UHFFFAOYSA-N 0 3 465.577 2.916 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001287762064 1063087738 /nfs/dbraw/zinc/08/77/38/1063087738.db2.gz XTZHTSVVIZAWCU-UHFFFAOYSA-N 0 3 453.978 2.919 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCS(=O)(=O)NC(C)C)CC1 ZINC001287761891 1063087809 /nfs/dbraw/zinc/08/78/09/1063087809.db2.gz ODHKJYDNAXISEV-UHFFFAOYSA-N 0 3 473.647 2.532 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001287767977 1063092966 /nfs/dbraw/zinc/09/29/66/1063092966.db2.gz IMYWATSJQLHZFG-AABGKKOBSA-N 0 3 489.665 2.653 20 0 JFADHN CC(C)O[C@]1(c2nnc(N3CCC[C@@H](C)CC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCOC1 ZINC001291112817 1063116196 /nfs/dbraw/zinc/11/61/96/1063116196.db2.gz RFRDMCWVVIABOU-XLGIIRLISA-N 0 3 490.693 2.888 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1CCN1CCC[C@H](C)C1 ZINC001291126222 1063153416 /nfs/dbraw/zinc/15/34/16/1063153416.db2.gz IKMPAHPNKQUFHZ-KRWDZBQOSA-N 0 3 463.030 2.840 20 0 JFADHN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1CCN1CCC[C@@H](C)C1 ZINC001291126428 1063155509 /nfs/dbraw/zinc/15/55/09/1063155509.db2.gz MHFPTZOGGLULRT-MOPGFXCFSA-N 0 3 490.674 2.749 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CCN1CCC[C@@H](C)C1 ZINC001291126517 1063155658 /nfs/dbraw/zinc/15/56/58/1063155658.db2.gz NIKVKDUXJACJDA-OAQYLSRUSA-N 0 3 487.693 2.767 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001291140673 1063210868 /nfs/dbraw/zinc/21/08/68/1063210868.db2.gz BYOBPLQQQBPZSL-WOJBJXKFSA-N 0 3 491.681 2.982 20 0 JFADHN CC(C)NC(=O)c1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001291141701 1063216699 /nfs/dbraw/zinc/21/66/99/1063216699.db2.gz RKUXUCMITOIJRD-WOJBJXKFSA-N 0 3 470.618 2.813 20 0 JFADHN CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccco2)N(C)C)CC1 ZINC001295327047 1063219862 /nfs/dbraw/zinc/21/98/62/1063219862.db2.gz LVWJBXDRUZMHRO-JOCHJYFZSA-N 0 3 494.644 2.617 20 0 JFADHN CCN(CC)C(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001295334963 1063246334 /nfs/dbraw/zinc/24/63/34/1063246334.db2.gz KJNQGKBXXVJUDN-JOCHJYFZSA-N 0 3 469.678 2.869 20 0 JFADHN C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C ZINC001291171749 1063260750 /nfs/dbraw/zinc/26/07/50/1063260750.db2.gz QFUCIVYNLJJVTM-RZUBCFFCSA-N 0 3 453.635 2.689 20 0 JFADHN CCN(CC)C(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001295345046 1063279740 /nfs/dbraw/zinc/27/97/40/1063279740.db2.gz RPQAHKZNXFHEJG-DNQXCXABSA-N 0 3 497.688 2.731 20 0 JFADHN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1CCN1CCC(C)CC1 ZINC001291183238 1063280347 /nfs/dbraw/zinc/28/03/47/1063280347.db2.gz LABMIQDNZXXMJE-IBGZPJMESA-N 0 3 490.674 2.749 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CCN1CCC(C)CC1 ZINC001291183578 1063280950 /nfs/dbraw/zinc/28/09/50/1063280950.db2.gz XXBBJKDKMXBTDW-UHFFFAOYSA-N 0 3 491.681 2.889 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOCC2(CC2)C1 ZINC001295365663 1063328937 /nfs/dbraw/zinc/32/89/37/1063328937.db2.gz IRBZBKTXTKXJTN-GOSISDBHSA-N 0 3 461.632 2.696 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 ZINC001295379228 1063350377 /nfs/dbraw/zinc/35/03/77/1063350377.db2.gz LKYQJQMXRGPPJL-NJAFHUGGSA-N 0 3 459.607 2.782 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001295379517 1063351263 /nfs/dbraw/zinc/35/12/63/1063351263.db2.gz MJYBHCFMUOYBRW-OALUTQOASA-N 0 3 467.680 2.839 20 0 JFADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 ZINC001295383650 1063357191 /nfs/dbraw/zinc/35/71/91/1063357191.db2.gz DKPFCINQCXERAQ-OAHLLOKOSA-N 0 3 459.182 2.590 20 0 JFADHN C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C[C@@H](C(F)(F)F)O1 ZINC001291201875 1063358550 /nfs/dbraw/zinc/35/85/50/1063358550.db2.gz CWVXGZIPNBKQRJ-ZACQAIPSSA-N 0 3 474.572 2.674 20 0 JFADHN COc1ccc(Nc2ccc(C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)cc2)c(OC)c1 ZINC001295384671 1063359725 /nfs/dbraw/zinc/35/97/25/1063359725.db2.gz LWOVOTBXJYEQKL-QFIPXVFZSA-N 0 3 452.555 2.826 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001295387574 1063364731 /nfs/dbraw/zinc/36/47/31/1063364731.db2.gz GGLSECCOHYPKBE-QUCCMNQESA-N 0 3 463.648 2.621 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001295391129 1063373645 /nfs/dbraw/zinc/37/36/45/1063373645.db2.gz VFIDSVYVSHUKPH-VNTMZGSJSA-N 0 3 469.696 2.940 20 0 JFADHN CCN(CC)[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](C(N)=O)C1)c1ccco1 ZINC001295397390 1063383481 /nfs/dbraw/zinc/38/34/81/1063383481.db2.gz MOWNQTWGSXCLFS-HKUYNNGSSA-N 0 3 452.559 2.941 20 0 JFADHN CCN(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C(N)=O)C1)c1ccco1 ZINC001295397393 1063383529 /nfs/dbraw/zinc/38/35/29/1063383529.db2.gz MOWNQTWGSXCLFS-IEBWSBKVSA-N 0 3 452.559 2.941 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(CNC(C)=O)CC1)c1ccco1 ZINC001295404974 1063391681 /nfs/dbraw/zinc/39/16/81/1063391681.db2.gz FFUWPQMNOWFSNX-LEWJYISDSA-N 0 3 458.607 2.811 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)NC)CC1)c1ccco1 ZINC001295407059 1063397637 /nfs/dbraw/zinc/39/76/37/1063397637.db2.gz PBCQIEDHCBPEDO-QUCCMNQESA-N 0 3 459.595 2.657 20 0 JFADHN CCN(CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001295408130 1063401170 /nfs/dbraw/zinc/40/11/70/1063401170.db2.gz ZDZXXWNYFCAPRG-PMACEKPBSA-N 0 3 458.607 2.763 20 0 JFADHN CCN(CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccco1 ZINC001295408103 1063401308 /nfs/dbraw/zinc/40/13/08/1063401308.db2.gz YXZJUMGFVRVXQX-IFMALSPDSA-N 0 3 484.576 2.635 20 0 JFADHN C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCC2)CC(C)(C)O1 ZINC001291214789 1063418357 /nfs/dbraw/zinc/41/83/57/1063418357.db2.gz DSGNVTCHEUUGDH-GOSISDBHSA-N 0 3 461.632 2.838 20 0 JFADHN C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001291229788 1063482386 /nfs/dbraw/zinc/48/23/86/1063482386.db2.gz OFOIDIPLYNREMO-WMZOPIPTSA-N 0 3 467.540 2.522 20 0 JFADHN C[C@H]1CN(c2nnc(-c3cccn3C)n2CCN2CC=CCC2)CCN1C(=O)OC(C)(C)C ZINC001291230754 1063484886 /nfs/dbraw/zinc/48/48/86/1063484886.db2.gz IHQVSUBUEACIEZ-IBGZPJMESA-N 0 3 455.607 2.991 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001295481012 1063491439 /nfs/dbraw/zinc/49/14/39/1063491439.db2.gz RLZQNEZKRVKGDC-RUZDIDTESA-N 0 3 462.683 2.897 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc3c(c2)COCC3)CC1 ZINC001295481772 1063493552 /nfs/dbraw/zinc/49/35/52/1063493552.db2.gz YPNKLGFAUUMBHS-UHFFFAOYSA-N 0 3 468.646 2.687 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001295481768 1063493741 /nfs/dbraw/zinc/49/37/41/1063493741.db2.gz YGAUHUGDEPBRKV-UHFFFAOYSA-N 0 3 459.639 2.900 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2CCc2ccc(-n3cccn3)cc2)CC1 ZINC001295481794 1063494832 /nfs/dbraw/zinc/49/48/32/1063494832.db2.gz ZPARYUJEJPDZIJ-UHFFFAOYSA-N 0 3 478.645 2.820 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CC[C@H]2CCCCO2)CC1 ZINC001295481848 1063495022 /nfs/dbraw/zinc/49/50/22/1063495022.db2.gz BGUBUDZPNXXORB-JOCHJYFZSA-N 0 3 454.619 2.895 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC2(COC)CCCCC2)CC1 ZINC001295482287 1063499115 /nfs/dbraw/zinc/49/91/15/1063499115.db2.gz ICTZIJGHMLVYGF-UHFFFAOYSA-N 0 3 483.661 2.927 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(OC)c(F)c2)CC1 ZINC001295482301 1063499151 /nfs/dbraw/zinc/49/91/51/1063499151.db2.gz IYKWTFBMRKZWQA-UHFFFAOYSA-N 0 3 497.619 2.664 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001295482407 1063501270 /nfs/dbraw/zinc/50/12/70/1063501270.db2.gz NBJFCOGRFZNINU-XUZZJYLKSA-N 0 3 483.661 2.782 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCOC2)CC1 ZINC001295482531 1063502144 /nfs/dbraw/zinc/50/21/44/1063502144.db2.gz RYBLZJOWPPNZCM-NRFANRHFSA-N 0 3 454.619 2.671 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001295482631 1063503593 /nfs/dbraw/zinc/50/35/93/1063503593.db2.gz VUTNXALNSCIZSB-FQEVSTJZSA-N 0 3 458.607 2.652 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(C)COC2)CC1 ZINC001295482633 1063504224 /nfs/dbraw/zinc/50/42/24/1063504224.db2.gz VXOFPSHJNNLGCU-UHFFFAOYSA-N 0 3 491.036 2.634 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)Oc2cccc(C)c2)CC1 ZINC001295482984 1063505729 /nfs/dbraw/zinc/50/57/29/1063505729.db2.gz ADEIOMGQBXQATR-OAQYLSRUSA-N 0 3 492.628 2.501 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001295483033 1063506312 /nfs/dbraw/zinc/50/63/12/1063506312.db2.gz AXDNZLREUOACGA-MOPGFXCFSA-N 0 3 468.593 2.598 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(C)c2)CC1 ZINC001295483088 1063506510 /nfs/dbraw/zinc/50/65/10/1063506510.db2.gz BSZDVYNTMGVFCY-HSZRJFAPSA-N 0 3 468.646 2.714 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2Cc2cccc(Br)n2)CC1 ZINC001295483449 1063507697 /nfs/dbraw/zinc/50/76/97/1063507697.db2.gz FJIDPLNPMZAPFQ-UHFFFAOYSA-N 0 3 490.450 2.742 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001295484346 1063510422 /nfs/dbraw/zinc/51/04/22/1063510422.db2.gz MWXLZERLYVKOQP-MQSCRBSSSA-N 0 3 490.693 2.614 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)c2c(C)noc2C)CC1 ZINC001295484395 1063510648 /nfs/dbraw/zinc/51/06/48/1063510648.db2.gz NCFIAOWIADGTMR-RXVVDRJESA-N 0 3 487.649 2.919 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001295484509 1063511352 /nfs/dbraw/zinc/51/13/52/1063511352.db2.gz OPQXASUFUFARQC-GIWBLDEGSA-N 0 3 476.666 2.571 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2OC(C)C)CC1 ZINC001295485848 1063514953 /nfs/dbraw/zinc/51/49/53/1063514953.db2.gz ZBNYOWYPEIRPLQ-QHCPKHFHSA-N 0 3 498.672 2.998 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(C)CCCS2)CC1 ZINC001295490898 1063518591 /nfs/dbraw/zinc/51/85/91/1063518591.db2.gz IMFJGQKRQBPUBV-DEOSSOPVSA-N 0 3 471.675 2.540 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001295491068 1063521232 /nfs/dbraw/zinc/52/12/32/1063521232.db2.gz OWIZIGQDGFFGDK-QHCPKHFHSA-N 0 3 498.672 2.683 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2CCOCC2)CC1 ZINC001295491570 1063523018 /nfs/dbraw/zinc/52/30/18/1063523018.db2.gz USKWNMHKOGTSHS-UHFFFAOYSA-N 0 3 490.599 2.564 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC2(O)CCCCC2)CC1 ZINC001295491607 1063523645 /nfs/dbraw/zinc/52/36/45/1063523645.db2.gz WBPCZWLQHPCETP-UHFFFAOYSA-N 0 3 474.675 2.616 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCc2cccnc2)CC1 ZINC001295491630 1063524241 /nfs/dbraw/zinc/52/42/41/1063524241.db2.gz WRXPTHHWTIZHFW-UHFFFAOYSA-N 0 3 467.643 2.559 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001295492472 1063525954 /nfs/dbraw/zinc/52/59/54/1063525954.db2.gz BTQYZRSCOOZNRV-RBUKOAKNSA-N 0 3 464.680 2.652 20 0 JFADHN C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN2CCN(C)C(C)(C)C2)CC2(CCOCC2)O1 ZINC001291258753 1063551483 /nfs/dbraw/zinc/55/14/83/1063551483.db2.gz HEBURDGTOCLBAF-HXUWFJFHSA-N 0 3 462.683 2.667 20 0 JFADHN C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)CCCO1 ZINC001291275018 1063581957 /nfs/dbraw/zinc/58/19/57/1063581957.db2.gz LHAHVEPEFVJZNN-NRFANRHFSA-N 0 3 456.635 2.541 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001295554127 1063588070 /nfs/dbraw/zinc/58/80/70/1063588070.db2.gz QURSMLPZCXWGIX-GOSISDBHSA-N 0 3 490.674 2.526 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001295559222 1063591939 /nfs/dbraw/zinc/59/19/39/1063591939.db2.gz DNBMDRVFLINRPG-KNQAVFIVSA-N 0 3 485.658 2.875 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001295567258 1063601838 /nfs/dbraw/zinc/60/18/38/1063601838.db2.gz YUGDSEBOUWKCIF-OWCLPIDISA-N 0 3 451.559 2.689 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001295571049 1063607540 /nfs/dbraw/zinc/60/75/40/1063607540.db2.gz ZMZOBMKOZILWOC-UXHICEINSA-N 0 3 463.648 2.828 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001295572388 1063610099 /nfs/dbraw/zinc/61/00/99/1063610099.db2.gz JQNSJDGVVRFOFL-FCGDIQPGSA-N 0 3 455.669 2.550 20 0 JFADHN CCN(Cc1cnn(C)c1)c1nnc(Cc2ccc(F)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001295662026 1063703727 /nfs/dbraw/zinc/70/37/27/1063703727.db2.gz LBVCVUZZQAULLZ-UHFFFAOYSA-N 0 3 468.625 2.794 20 0 JFADHN CCN(CCc1cccs1)c1nnc(C(=O)NC(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001295780605 1063786112 /nfs/dbraw/zinc/78/61/12/1063786112.db2.gz CVABFMBRAWSEFZ-UHFFFAOYSA-N 0 3 461.680 2.573 20 0 JFADHN CCN(CCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CCCC2)CC1)S(C)(=O)=O ZINC001295805868 1063796301 /nfs/dbraw/zinc/79/63/01/1063796301.db2.gz JBVRNHHFELHMAU-UHFFFAOYSA-N 0 3 490.674 2.690 20 0 JFADHN CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CC=CCC2)C1 ZINC001291336428 1063799967 /nfs/dbraw/zinc/79/99/67/1063799967.db2.gz ICDOEVSRRBJJHL-QGZVFWFLSA-N 0 3 476.423 2.793 20 0 JFADHN CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1)CCC(F)(F)F ZINC001295829332 1063840885 /nfs/dbraw/zinc/84/08/85/1063840885.db2.gz HOZYGTCGCAAIAY-HZPDHXFCSA-N 0 3 485.942 2.983 20 0 JFADHN CCN(CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1)CCC(F)(F)F ZINC001295829417 1063841599 /nfs/dbraw/zinc/84/15/99/1063841599.db2.gz IKIMHEAXVVMQDG-KRWDZBQOSA-N 0 3 488.942 2.824 20 0 JFADHN CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C(N)=O)C1)CCC(F)(F)F ZINC001295831483 1063846775 /nfs/dbraw/zinc/84/67/75/1063846775.db2.gz YATUOKNSHYLTMZ-AWEZNQCLSA-N 0 3 459.904 2.579 20 0 JFADHN CCN(CCn1c(-c2ccccc2OC)nnc1N1CC[C@](C)(C(N)=O)C1)CCC(F)(F)F ZINC001295835282 1063851224 /nfs/dbraw/zinc/85/12/24/1063851224.db2.gz AMIJTUBMKXHQKE-NRFANRHFSA-N 0 3 468.524 2.930 20 0 JFADHN CCN(CCn1c(-c2cccn2C)nnc1N1CCN(c2ncccn2)CC1)CCC(F)(F)F ZINC001295836783 1063853972 /nfs/dbraw/zinc/85/39/72/1063853972.db2.gz DYSIACVIIBBKFZ-UHFFFAOYSA-N 0 3 477.539 2.675 20 0 JFADHN CCN(CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(C)=O)C1)CCC(F)(F)F ZINC001295837194 1063854453 /nfs/dbraw/zinc/85/44/53/1063854453.db2.gz JCLOAWCKEBUUBA-QGZVFWFLSA-N 0 3 455.529 2.663 20 0 JFADHN CCN(CCn1c(-c2cnccn2)nnc1N1CCN(Cc2cc(C)no2)CC1)CCC(F)(F)F ZINC001295841307 1063859780 /nfs/dbraw/zinc/85/97/80/1063859780.db2.gz ALUCULOFJPZRPN-UHFFFAOYSA-N 0 3 493.538 2.628 20 0 JFADHN CCN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccs2)CC1)CCC(F)(F)F ZINC001295844216 1063863385 /nfs/dbraw/zinc/86/33/85/1063863385.db2.gz AJUUMSGJUJPJEN-SFHVURJKSA-N 0 3 499.607 2.887 20 0 JFADHN CC[C@@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001291358583 1063865930 /nfs/dbraw/zinc/86/59/30/1063865930.db2.gz PCLKQIMEVDMRBM-WNCULLNHSA-N 0 3 497.688 2.913 20 0 JFADHN CC[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001291358582 1063865964 /nfs/dbraw/zinc/86/59/64/1063865964.db2.gz PCLKQIMEVDMRBM-KCWPFWIISA-N 0 3 497.688 2.913 20 0 JFADHN CCN(CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)C(C)C ZINC001295855562 1063885883 /nfs/dbraw/zinc/88/58/83/1063885883.db2.gz RFOCUERIFTUAQS-QHCPKHFHSA-N 0 3 481.613 2.892 20 0 JFADHN CCN(CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC001295869294 1063906254 /nfs/dbraw/zinc/90/62/54/1063906254.db2.gz LYLPHHAWJVQLPX-GUDVDZBRSA-N 0 3 455.669 2.550 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(Br)s2)n1CCN(C)C(C)C ZINC001295878336 1063920193 /nfs/dbraw/zinc/92/01/93/1063920193.db2.gz RQNNYATXDDNDFT-UHFFFAOYSA-N 0 3 478.482 2.980 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc(Cc2ccncc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC001295884622 1063930577 /nfs/dbraw/zinc/93/05/77/1063930577.db2.gz ABWIFEBHWBEGSJ-AUSIDOKSSA-N 0 3 462.664 2.645 20 0 JFADHN CCn1cc([C@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)N(C)Cc3ccccc3)CCO2)cn1 ZINC001295896758 1063950284 /nfs/dbraw/zinc/95/02/84/1063950284.db2.gz KDQVSEHMATWWCN-NZQKXSOJSA-N 0 3 494.644 2.731 20 0 JFADHN CC[C@H](C)[C@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001291400062 1063959899 /nfs/dbraw/zinc/95/98/99/1063959899.db2.gz SRXNHUYDHDZRBJ-RXFWQSSRSA-N 0 3 486.636 2.550 20 0 JFADHN CC[C@H](C)[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001291403109 1063967299 /nfs/dbraw/zinc/96/72/99/1063967299.db2.gz GTBGQAJBUHNNAN-CTIGNXTNSA-N 0 3 473.666 2.626 20 0 JFADHN CC[C@H](C)[C@H](Cn1c(C2CCC2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1)OC ZINC001291418609 1063997881 /nfs/dbraw/zinc/99/78/81/1063997881.db2.gz ZXEZVJPVGYNZEO-CSGUBPAMSA-N 0 3 460.667 2.986 20 0 JFADHN CC[C@H](C)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CCC(=O)NC(C)(C)C ZINC001291434299 1064014858 /nfs/dbraw/zinc/01/48/58/1064014858.db2.gz MCMXDXAGWGLUNS-IBGZPJMESA-N 0 3 458.655 2.894 20 0 JFADHN CC[C@H](C)c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@H](c1ccccc1OC)N1CCCC1 ZINC001291436129 1064017128 /nfs/dbraw/zinc/01/71/28/1064017128.db2.gz PKQPJAVWOXNNDV-RBBKRZOGSA-N 0 3 484.645 2.932 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1C ZINC001295975458 1064019244 /nfs/dbraw/zinc/01/92/44/1064019244.db2.gz CAVPGPCRXUKQQO-SJORKVTESA-N 0 3 495.550 2.817 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(C)CN(C)C2=O)C[C@H]1C ZINC001295975933 1064021212 /nfs/dbraw/zinc/02/12/12/1064021212.db2.gz HAGSAHQVJDQHNK-VBURHUQHSA-N 0 3 462.545 2.944 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2OCCOC)C[C@@H]1C ZINC001295976610 1064022100 /nfs/dbraw/zinc/02/21/00/1064022100.db2.gz HPGSDZJQTCQCLQ-PMACEKPBSA-N 0 3 493.612 2.918 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001295976838 1064022542 /nfs/dbraw/zinc/02/25/42/1064022542.db2.gz LOXPUHPNZJBXME-KBPBESRZSA-N 0 3 472.487 2.847 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(C)nc2)C[C@@H]1C ZINC001295977592 1064023867 /nfs/dbraw/zinc/02/38/67/1064023867.db2.gz OTTYQWRDNIKROX-VQTJNVASSA-N 0 3 497.669 2.866 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CCN2CCOC(C)(C)C2)C[C@H]1C ZINC001295977597 1064024257 /nfs/dbraw/zinc/02/42/57/1064024257.db2.gz OTUVDTMCCIENDF-WOJBJXKFSA-N 0 3 456.635 2.983 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)c2ccc(C)cc2)C[C@H]1C ZINC001295978764 1064026531 /nfs/dbraw/zinc/02/65/31/1064026531.db2.gz LAPPRNJWDGJCRV-UMTXDNHDSA-N 0 3 498.672 2.976 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)C(C)C)C[C@H]1C ZINC001295978846 1064027595 /nfs/dbraw/zinc/02/75/95/1064027595.db2.gz TYGWXUYTTQGGAL-STSQHVNTSA-N 0 3 463.648 2.675 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)CCOC)C[C@@H]1C ZINC001295979762 1064028738 /nfs/dbraw/zinc/02/87/38/1064028738.db2.gz XDTRMMBNCNXKQS-XFAGBWLFSA-N 0 3 461.607 2.669 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)CCOC)C[C@H]1C ZINC001295979764 1064028757 /nfs/dbraw/zinc/02/87/57/1064028757.db2.gz XDTRMMBNCNXKQS-YTZAWJCFSA-N 0 3 461.607 2.669 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(C)c(OC)c2)C[C@H]1C ZINC001295980171 1064029599 /nfs/dbraw/zinc/02/95/99/1064029599.db2.gz QUCIOBDPSOFPLP-WOJBJXKFSA-N 0 3 454.619 2.993 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1cnccc1OC ZINC001291470125 1064030141 /nfs/dbraw/zinc/03/01/41/1064030141.db2.gz LTLORUPFHLBZCT-JQVVWYNYSA-N 0 3 469.634 2.622 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)c2cccc(OC)c2)C[C@H]1C ZINC001295980893 1064031555 /nfs/dbraw/zinc/03/15/55/1064031555.db2.gz PYSKXPWXWOBAQX-QYZOEREBSA-N 0 3 492.690 2.794 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001295981462 1064032611 /nfs/dbraw/zinc/03/26/11/1064032611.db2.gz ACTDTPWPTCHGHR-SJORKVTESA-N 0 3 455.994 2.968 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2ccccc2F)C[C@@H]1C ZINC001295982473 1064035092 /nfs/dbraw/zinc/03/50/92/1064035092.db2.gz TUXCMZFNHMZBPW-OKZBNKHCSA-N 0 3 466.627 2.579 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCO2)C[C@@H]1C ZINC001295982800 1064036578 /nfs/dbraw/zinc/03/65/78/1064036578.db2.gz YJLJMJAPULDHCT-ZWOKBUDYSA-N 0 3 461.010 2.959 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001295983326 1064039048 /nfs/dbraw/zinc/03/90/48/1064039048.db2.gz IAIDNTRJHGASEQ-XGHQBKJUSA-N 0 3 470.618 2.796 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2Cc2nncn2-c2ccccc2)C[C@@H]1C ZINC001295983542 1064039498 /nfs/dbraw/zinc/03/94/98/1064039498.db2.gz WYZDKVPOABQXJM-SLFFLAALSA-N 0 3 468.606 2.550 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3cccc(OC)c3)CC2)C[C@H]1C ZINC001295983879 1064040134 /nfs/dbraw/zinc/04/01/34/1064040134.db2.gz XMZRDRGTOZXWFS-CEXWTWQISA-N 0 3 490.674 2.548 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)c2ccc(C)s2)C[C@@H]1C ZINC001295990175 1064045449 /nfs/dbraw/zinc/04/54/49/1064045449.db2.gz FGZJOXPOJXMEQL-IRXDYDNUSA-N 0 3 489.671 2.607 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001291495851 1064048738 /nfs/dbraw/zinc/04/87/38/1064048738.db2.gz AWVINBRJTRSGSE-IEZWGBDMSA-N 0 3 473.647 2.923 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CCn2cc(Br)cn2)C[C@@H]1C ZINC001295993825 1064049713 /nfs/dbraw/zinc/04/97/13/1064049713.db2.gz UIKOCKDYZUCZQS-JKSUJKDBSA-N 0 3 459.396 2.918 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CCn2cc(Br)cn2)C[C@H]1C ZINC001295993824 1064049753 /nfs/dbraw/zinc/04/97/53/1064049753.db2.gz UIKOCKDYZUCZQS-HZPDHXFCSA-N 0 3 459.396 2.918 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCCCn2cc(Br)cn2)C[C@@H]1C ZINC001295994749 1064050762 /nfs/dbraw/zinc/05/07/62/1064050762.db2.gz JKARCAZWKWBMAT-XYJFISCASA-N 0 3 493.454 2.588 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccc3Br)n2CCCn2cnnn2)C[C@@H]1C ZINC001295995189 1064050991 /nfs/dbraw/zinc/05/09/91/1064050991.db2.gz XPZYOUDDWQOGLR-JKSUJKDBSA-N 0 3 474.411 2.703 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cnccn3)n2CCc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC001295996820 1064053271 /nfs/dbraw/zinc/05/32/71/1064053271.db2.gz NSOGWSCBTBSAHP-ZWKOTPCHSA-N 0 3 481.601 2.923 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)C[C@@H]1C ZINC001295998337 1064055638 /nfs/dbraw/zinc/05/56/38/1064055638.db2.gz VIFUPQCFDDSIHY-IRFCIJBXSA-N 0 3 472.609 2.589 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCCCOC)C[C@H]1C ZINC001295998693 1064055713 /nfs/dbraw/zinc/05/57/13/1064055713.db2.gz VAVOSVWGKNTLBQ-MSOLQXFVSA-N 0 3 453.591 2.538 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001291504196 1064055856 /nfs/dbraw/zinc/05/58/56/1064055856.db2.gz LZLQOKCFMISCBU-FUHWJXTLSA-N 0 3 468.693 2.922 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001291504195 1064055973 /nfs/dbraw/zinc/05/59/73/1064055973.db2.gz LZLQOKCFMISCBU-AEFFLSMTSA-N 0 3 468.693 2.922 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC001296007648 1064061269 /nfs/dbraw/zinc/06/12/69/1064061269.db2.gz FMBJPCRNCGONAB-FKBYEOEOSA-N 0 3 456.635 2.539 20 0 JFADHN CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCNC(=O)c1cccc(OC)c1 ZINC001291510195 1064061601 /nfs/dbraw/zinc/06/16/01/1064061601.db2.gz QUEVKMCMPWBFOY-GMAHTHKFSA-N 0 3 497.688 2.835 20 0 JFADHN CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCCNC(=O)c1cccc(O)c1 ZINC001291510505 1064062300 /nfs/dbraw/zinc/06/23/00/1064062300.db2.gz XFRQMYRLLHLHHU-GMAHTHKFSA-N 0 3 497.688 2.922 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)C2CC2)C[C@H]1C ZINC001296008827 1064062941 /nfs/dbraw/zinc/06/29/41/1064062941.db2.gz BPOZYDZWJKWIQU-UXHICEINSA-N 0 3 454.619 2.919 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)C2CC2)C[C@H]1C ZINC001296008830 1064062965 /nfs/dbraw/zinc/06/29/65/1064062965.db2.gz BPOZYDZWJKWIQU-WOJBJXKFSA-N 0 3 454.619 2.919 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296008899 1064063554 /nfs/dbraw/zinc/06/35/54/1064063554.db2.gz BWXFXPIODSSPDG-CABCVRRESA-N 0 3 470.952 2.811 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCOC[C@H]2C)C[C@@H]1C ZINC001296009757 1064066590 /nfs/dbraw/zinc/06/65/90/1064066590.db2.gz MXAZYXZPKWPDPF-FDFHNCONSA-N 0 3 470.662 2.712 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCCC2)C[C@@H]1C ZINC001296009804 1064067045 /nfs/dbraw/zinc/06/70/45/1064067045.db2.gz IGSKEPOUGHRQFL-ROUUACIJSA-N 0 3 458.582 2.961 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001296010159 1064067485 /nfs/dbraw/zinc/06/74/85/1064067485.db2.gz PKZCTSCCBMFJFG-PMACEKPBSA-N 0 3 457.619 2.532 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001296010864 1064069625 /nfs/dbraw/zinc/06/96/25/1064069625.db2.gz MYOKQDXRPVEYKO-MOPGFXCFSA-N 0 3 499.626 2.984 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2ccc(F)cc2)C[C@H]1C ZINC001296013135 1064074126 /nfs/dbraw/zinc/07/41/26/1064074126.db2.gz MHILNJZRMGEOBP-SEKIOLSNSA-N 0 3 475.609 2.968 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(F)cc3)n2Cc2cnn(CCOC)c2)C[C@H]1C ZINC001296014580 1064076452 /nfs/dbraw/zinc/07/64/52/1064076452.db2.gz YOBMUJTUVUBBCB-MOPGFXCFSA-N 0 3 471.581 2.806 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](F)COC)C[C@H]1C ZINC001296016850 1064078024 /nfs/dbraw/zinc/07/80/24/1064078024.db2.gz VPTYATMEIUUTOH-ZRSRNVLSSA-N 0 3 468.618 2.952 20 0 JFADHN CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001296039264 1064099015 /nfs/dbraw/zinc/09/90/15/1064099015.db2.gz SALJFYGBLBJGQP-IAGOWNOFSA-N 0 3 452.024 2.954 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)c3cc(C)oc3C)CC2)n1CCCN1CCN(CC)CC1 ZINC001291577590 1064101654 /nfs/dbraw/zinc/10/16/54/1064101654.db2.gz IWFCZECIGKZERJ-FQEVSTJZSA-N 0 3 485.677 2.991 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001291578250 1064103104 /nfs/dbraw/zinc/10/31/04/1064103104.db2.gz CSZSCMPPGHHTNH-QBFCQJJASA-N 0 3 472.634 2.652 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001291578252 1064103116 /nfs/dbraw/zinc/10/31/16/1064103116.db2.gz CSZSCMPPGHHTNH-SBJAYZTMSA-N 0 3 472.634 2.652 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001291578255 1064103214 /nfs/dbraw/zinc/10/32/14/1064103214.db2.gz CSZSCMPPGHHTNH-SMTRDTIPSA-N 0 3 472.634 2.652 20 0 JFADHN CCN1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001296055219 1064116381 /nfs/dbraw/zinc/11/63/81/1064116381.db2.gz FJHLQFRYVZTOCB-MSOLQXFVSA-N 0 3 484.605 2.513 20 0 JFADHN CCN1CCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccccc1OC ZINC001296056093 1064117211 /nfs/dbraw/zinc/11/72/11/1064117211.db2.gz JOFNMHJUJCZEOX-LJQANCHMSA-N 0 3 456.591 2.522 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1cccc(COC)c1 ZINC001291583912 1064117483 /nfs/dbraw/zinc/11/74/83/1064117483.db2.gz XCBJTMHWRNIMOJ-FQEVSTJZSA-N 0 3 454.619 2.731 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001291590369 1064123908 /nfs/dbraw/zinc/12/39/08/1064123908.db2.gz VKPRMZLTOSLWNZ-UNMCSNQZSA-N 0 3 470.618 2.971 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001291594596 1064130809 /nfs/dbraw/zinc/13/08/09/1064130809.db2.gz IPSXJRRVDSQKDC-FHWLQOOXSA-N 0 3 459.605 2.890 20 0 JFADHN CCN(C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001296065126 1064131177 /nfs/dbraw/zinc/13/11/77/1064131177.db2.gz JUBGLQGWGBWCBZ-GOSISDBHSA-N 0 3 451.539 2.756 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001296073342 1064138564 /nfs/dbraw/zinc/13/85/64/1064138564.db2.gz CYZLJMRSWCZEFS-KRWDZBQOSA-N 0 3 482.555 2.777 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001296078919 1064145532 /nfs/dbraw/zinc/14/55/32/1064145532.db2.gz AIXYRWTTYUNQGM-PZJWPPBQSA-N 0 3 467.618 2.723 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001296078918 1064145569 /nfs/dbraw/zinc/14/55/69/1064145569.db2.gz AIXYRWTTYUNQGM-FPOVZHCZSA-N 0 3 467.618 2.723 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1ccc(NC(C)=O)nc1 ZINC001291622326 1064163271 /nfs/dbraw/zinc/16/32/71/1064163271.db2.gz VKKRWRFPFRJACY-ZWKOTPCHSA-N 0 3 455.607 2.883 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001291637698 1064185204 /nfs/dbraw/zinc/18/52/04/1064185204.db2.gz BRBBHICQGQNWAE-AZUAARDMSA-N 0 3 488.599 2.603 20 0 JFADHN NC(=O)C1CCN(Cc2cccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)c2)CC1 ZINC001291640193 1064189077 /nfs/dbraw/zinc/18/90/77/1064189077.db2.gz BBBBFBYEFJJQTL-QGZVFWFLSA-N 0 3 456.493 2.654 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@H](c1ccco1)N(CC)CC ZINC001291643907 1064196455 /nfs/dbraw/zinc/19/64/55/1064196455.db2.gz MABMNHDHBGAFPL-QYZOEREBSA-N 0 3 466.652 2.938 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296120077 1064207825 /nfs/dbraw/zinc/20/78/25/1064207825.db2.gz DJRZTKJWUAXVKU-HKUYNNGSSA-N 0 3 464.561 2.798 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001296120131 1064208292 /nfs/dbraw/zinc/20/82/92/1064208292.db2.gz FGNDXUBEDXIDPO-KRWDZBQOSA-N 0 3 464.561 2.834 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296120336 1064209374 /nfs/dbraw/zinc/20/93/74/1064209374.db2.gz HNYITWJQNJBMIR-MZKRTTBSSA-N 0 3 456.635 2.841 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CC[C@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC001296120555 1064210504 /nfs/dbraw/zinc/21/05/04/1064210504.db2.gz JLEBYOQEMYQGTA-VXKWHMMOSA-N 0 3 467.662 2.917 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001296122346 1064214596 /nfs/dbraw/zinc/21/45/96/1064214596.db2.gz VXNAINAMJUSWDV-MOPGFXCFSA-N 0 3 474.053 2.682 20 0 JFADHN CCN(CC1CCN(c2ccccn2)CC1)c1nnc(C)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001296122477 1064215047 /nfs/dbraw/zinc/21/50/47/1064215047.db2.gz WKWNVVMRFXTWFS-OAQYLSRUSA-N 0 3 454.667 2.750 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3)nnc2N2CCC(OCCOC)CC2)CC1 ZINC001296123523 1064215893 /nfs/dbraw/zinc/21/58/93/1064215893.db2.gz APPIIWNETRVDIX-OAQYLSRUSA-N 0 3 456.635 2.603 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3Br)nnc2N2CCOCC2)CC1 ZINC001296123815 1064216248 /nfs/dbraw/zinc/21/62/48/1064216248.db2.gz CIHMRKVLGVCDHI-KRWDZBQOSA-N 0 3 463.424 2.570 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001291680827 1064216677 /nfs/dbraw/zinc/21/66/77/1064216677.db2.gz HUTRITYCAXLKBI-LJQANCHMSA-N 0 3 450.697 2.920 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001296125571 1064219658 /nfs/dbraw/zinc/21/96/58/1064219658.db2.gz MUSHGNSEPDCKJD-MJGOQNOKSA-N 0 3 462.042 2.881 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001296126429 1064220500 /nfs/dbraw/zinc/22/05/00/1064220500.db2.gz PZVFKKQGCYRESS-LJQANCHMSA-N 0 3 472.634 2.951 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296126848 1064220755 /nfs/dbraw/zinc/22/07/55/1064220755.db2.gz RYJIXMIUSMDOAF-MIZPHKNDSA-N 0 3 456.635 2.841 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296129854 1064223264 /nfs/dbraw/zinc/22/32/64/1064223264.db2.gz BZNVUJPIVSYGSX-IRLDBZIGSA-N 0 3 456.635 2.843 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296129956 1064223286 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CC[C@H](C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001291806043 1064326576 /nfs/dbraw/zinc/32/65/76/1064326576.db2.gz YRFAFVDLSVZWDT-BZSNNMDCSA-N 0 3 456.591 2.898 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296190752 1064340395 /nfs/dbraw/zinc/34/03/95/1064340395.db2.gz FFKXBJODWLHZJK-YYDVJCTNSA-N 0 3 476.616 2.628 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCN(Cc3cnc(C)s3)CC2)CC1 ZINC001296191622 1064342658 /nfs/dbraw/zinc/34/26/58/1064342658.db2.gz KRIVFLUPDOMLOD-NRFANRHFSA-N 0 3 488.750 2.837 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001296191606 1064342682 /nfs/dbraw/zinc/34/26/82/1064342682.db2.gz KEBKARGLMFEBNW-FQEVSTJZSA-N 0 3 464.699 2.976 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2nccs2)CC1 ZINC001296192375 1064345452 /nfs/dbraw/zinc/34/54/52/1064345452.db2.gz DMYJLHJFARBBEM-GOSISDBHSA-N 0 3 471.679 2.506 20 0 JFADHN 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QFAUQYVHCIVOOM-FQEVSTJZSA-N 0 3 458.676 2.999 20 0 JFADHN CCc1cnc(CCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)s1 ZINC001292626433 1065363469 /nfs/dbraw/zinc/36/34/69/1065363469.db2.gz JFJVTAZSJZYCNF-IBGZPJMESA-N 0 3 473.691 2.871 20 0 JFADHN CCc1nc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)C)C2)cs1 ZINC001292729551 1065491913 /nfs/dbraw/zinc/49/19/13/1065491913.db2.gz UCGVUAOSCKLFBZ-ZWKOTPCHSA-N 0 3 480.704 2.956 20 0 JFADHN CCc1nn(C)c(OC)c1Cn1c([C@H](C)CC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001292775320 1065533227 /nfs/dbraw/zinc/53/32/27/1065533227.db2.gz WXQCLDIZWNIIGO-MSOLQXFVSA-N 0 3 459.639 2.834 20 0 JFADHN CCc1nnc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001292786620 1065549158 /nfs/dbraw/zinc/54/91/58/1065549158.db2.gz WFZJQNRLNFGZKK-UHFFFAOYSA-N 0 3 489.671 2.731 20 0 JFADHN CCc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001292817147 1065566254 /nfs/dbraw/zinc/56/62/54/1065566254.db2.gz OYSVDCXIBSMHCK-XMMPIXPASA-N 0 3 455.607 2.755 20 0 JFADHN CCc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CC[C@@](C)(O)c1ccccc1 ZINC001292818278 1065566751 /nfs/dbraw/zinc/56/67/51/1065566751.db2.gz XQJZKEKFPMFKSK-RUZDIDTESA-N 0 3 451.619 2.936 20 0 JFADHN CCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001292894287 1065595453 /nfs/dbraw/zinc/59/54/53/1065595453.db2.gz WKOSWDMQBIPXEG-UTKZUKDTSA-N 0 3 493.578 2.876 20 0 JFADHN CCc1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001292907490 1065599065 /nfs/dbraw/zinc/59/90/65/1065599065.db2.gz SQGFJBVPIZXAQB-KSEOMHKRSA-N 0 3 454.619 2.750 20 0 JFADHN CN(C)CCSc1nc(CC(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)cs1 ZINC001292949770 1065629749 /nfs/dbraw/zinc/62/97/49/1065629749.db2.gz VQXDXHHLRCAKNB-KRWDZBQOSA-N 0 3 453.703 2.506 20 0 JFADHN CCN1CCN(C[C@@H](C)CNC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC1 ZINC001292959003 1065636975 /nfs/dbraw/zinc/63/69/75/1065636975.db2.gz OYYRNIRAGXJFRY-CBZJRKILSA-N 0 3 458.466 2.727 20 0 JFADHN CCN1CCN(C[C@@H](C)CNC(=O)CCC[S@](=O)c2ccc(Br)cc2)CC1 ZINC001292959005 1065637130 /nfs/dbraw/zinc/63/71/30/1065637130.db2.gz OYYRNIRAGXJFRY-SOKVYYICSA-N 0 3 458.466 2.727 20 0 JFADHN CCc1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1CCc1ccc(OC)c(OC(F)F)c1 ZINC001292978225 1065658415 /nfs/dbraw/zinc/65/84/15/1065658415.db2.gz DSDODQVEVMTJLG-IBGZPJMESA-N 0 3 478.588 2.909 20 0 JFADHN CCc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@H](C)Oc1ccccc1OC ZINC001292979176 1065660484 /nfs/dbraw/zinc/66/04/84/1065660484.db2.gz MWPSWOOMOBKMDO-SFTDATJTSA-N 0 3 456.635 2.921 20 0 JFADHN COC(=O)C1CCN(CCCNC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC001292984620 1065667969 /nfs/dbraw/zinc/66/79/69/1065667969.db2.gz GETLPPDMVVXLPD-NRFANRHFSA-N 0 3 459.587 2.912 20 0 JFADHN CCN1CCN([C@H](C)CNC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC001292986390 1065670965 /nfs/dbraw/zinc/67/09/65/1065670965.db2.gz KQGAEABUBJOYPE-XXBNENTESA-N 0 3 453.587 2.721 20 0 JFADHN COC(=O)C1CCN(CCCNC(=O)[C@@H](C)c2ccc(I)cc2)CC1 ZINC001292987253 1065673226 /nfs/dbraw/zinc/67/32/26/1065673226.db2.gz VMHZWGVDCWZBAR-AWEZNQCLSA-N 0 3 458.340 2.786 20 0 JFADHN CCc1nnc(N2CCC(Oc3cc(C)ccn3)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001292990017 1065677040 /nfs/dbraw/zinc/67/70/40/1065677040.db2.gz MKXBUEWVSSQZOF-NRFANRHFSA-N 0 3 455.651 2.865 20 0 JFADHN CCc1nnc(N2CCC(Oc3cc(C)ccn3)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001292990018 1065677107 /nfs/dbraw/zinc/67/71/07/1065677107.db2.gz MKXBUEWVSSQZOF-OAQYLSRUSA-N 0 3 455.651 2.865 20 0 JFADHN CCc1nnc(N2CCc3cc(OC)c(C)cc3C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001293004837 1065689276 /nfs/dbraw/zinc/68/92/76/1065689276.db2.gz VOLWNDVPTRGSHT-OAQYLSRUSA-N 0 3 454.619 2.663 20 0 JFADHN CN(CCN1CCN(C(=O)c2cnc(NC(=O)OC(C)(C)C)cn2)CC1)Cc1ccccc1 ZINC001293066119 1065717301 /nfs/dbraw/zinc/71/73/01/1065717301.db2.gz YBFUGQBQLBMJGT-UHFFFAOYSA-N 0 3 454.575 2.713 20 0 JFADHN CCc1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001293081162 1065730340 /nfs/dbraw/zinc/73/03/40/1065730340.db2.gz GBCBGMQNYYETSG-HXUWFJFHSA-N 0 3 454.619 2.877 20 0 JFADHN CCc1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001293081162 1065730353 /nfs/dbraw/zinc/73/03/53/1065730353.db2.gz GBCBGMQNYYETSG-HXUWFJFHSA-N 0 3 454.619 2.877 20 0 JFADHN CCc1nnc(N2CCN(c3ccc(C(C)=O)cc3F)CC2)n1CCCN1CCN(CC)CC1 ZINC001293103687 1065751092 /nfs/dbraw/zinc/75/10/92/1065751092.db2.gz LEVWRLYZRXPNFR-UHFFFAOYSA-N 0 3 471.625 2.536 20 0 JFADHN Cc1cc(N2C[C@H](C(=O)N(CCN(C)C)C[C@@H]3CCCO3)CC2=O)ccc1Br ZINC001293106449 1065753662 /nfs/dbraw/zinc/75/36/62/1065753662.db2.gz CJRYEOSGUBRTSW-AEFFLSMTSA-N 0 3 452.393 2.680 20 0 JFADHN CCc1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1C[C@@H](c1ccco1)N(CC)CC ZINC001293120324 1065769851 /nfs/dbraw/zinc/76/98/51/1065769851.db2.gz QMSMMSHADVKMDO-NRFANRHFSA-N 0 3 471.650 2.651 20 0 JFADHN CCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1ccccc1OCC(F)(F)F ZINC001293129627 1065780026 /nfs/dbraw/zinc/78/00/26/1065780026.db2.gz BPVRYWTYDOXKFP-KRWDZBQOSA-N 0 3 453.509 2.988 20 0 JFADHN CCc1noc([C@H](C)N2CCN(c3nnc(C)n3C[C@@H](c3cccc(F)c3)N(C)C)CC2)n1 ZINC001293186577 1065811919 /nfs/dbraw/zinc/81/19/19/1065811919.db2.gz WYULJQIOUJUFBU-JXFKEZNVSA-N 0 3 456.570 2.857 20 0 JFADHN CCc1noc(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001293188703 1065813722 /nfs/dbraw/zinc/81/37/22/1065813722.db2.gz MXRKBYVYNBXRCK-CVEARBPZSA-N 0 3 452.563 2.751 20 0 JFADHN CCc1noc(C)c1Cn1c(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)nnc1C(C)(C)C ZINC001293206918 1065833219 /nfs/dbraw/zinc/83/32/19/1065833219.db2.gz OOWSJMOGXUAVDG-JTSKRJEESA-N 0 3 471.650 2.862 20 0 JFADHN CCc1nsc(N2CCN(c3nnc(CC)n3C[C@@H](c3cccc(OC)c3)N(C)C)CC2)n1 ZINC001293209450 1065844898 /nfs/dbraw/zinc/84/48/98/1065844898.db2.gz ZCXMLEFUCDBLNW-IBGZPJMESA-N 0 3 470.647 2.893 20 0 JFADHN CC[C@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCC[C@H](C)C1 ZINC001293214580 1065848673 /nfs/dbraw/zinc/84/86/73/1065848673.db2.gz ABMLLMORUNVGFE-UWJYYQICSA-N 0 3 467.618 2.594 20 0 JFADHN CC[C@H]1C(=O)NCCN1c1nnc(-c2cc(OC)ccc2Br)n1CCN1CC=CCC1 ZINC001293218067 1065861328 /nfs/dbraw/zinc/86/13/28/1065861328.db2.gz IIRRSXULBHXUEU-IBGZPJMESA-N 0 3 489.418 2.693 20 0 JFADHN CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)C1 ZINC001293220041 1065868816 /nfs/dbraw/zinc/86/88/16/1065868816.db2.gz QSTOCENPYLQVLA-LJQANCHMSA-N 0 3 453.624 2.942 20 0 JFADHN CC[C@@H]1C[C@@H](C)CN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc2C1 ZINC001293298506 1065939284 /nfs/dbraw/zinc/93/92/84/1065939284.db2.gz QRRBQYPBJVYTOQ-WOIUINJBSA-N 0 3 474.675 2.962 20 0 JFADHN CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc2C1 ZINC001293298505 1065939378 /nfs/dbraw/zinc/93/93/78/1065939378.db2.gz QRRBQYPBJVYTOQ-NNMXDRDESA-N 0 3 474.675 2.962 20 0 JFADHN CC[C@@H]1C[C@@H](C)CN1c1nnc(Cc2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001293316117 1065946100 /nfs/dbraw/zinc/94/61/00/1065946100.db2.gz OBHNAICQUIPZFU-CEMLEFRQSA-N 0 3 453.635 2.831 20 0 JFADHN CC[C@@H]1C[C@H](C)CN1c1nnc(Cc2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001293316120 1065946186 /nfs/dbraw/zinc/94/61/86/1065946186.db2.gz OBHNAICQUIPZFU-NNWRFLSQSA-N 0 3 453.635 2.831 20 0 JFADHN CC[C@@H]1C[C@@H](C)CN1c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C)C(C)(C)C1 ZINC001293330881 1065951777 /nfs/dbraw/zinc/95/17/77/1065951777.db2.gz FWVRMQOYNJWTLN-RTBURBONSA-N 0 3 473.691 2.920 20 0 JFADHN Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC001293382441 1065985042 /nfs/dbraw/zinc/98/50/42/1065985042.db2.gz DSMWNSRMIFPQOD-UHFFFAOYSA-N 0 3 456.547 2.845 20 0 JFADHN CC[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 ZINC001293457085 1066013784 /nfs/dbraw/zinc/01/37/84/1066013784.db2.gz SHRCZJWQDJOXJV-FBLLAGFSSA-N 0 3 462.683 2.829 20 0 JFADHN CCC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(C)CCOC)CC1 ZINC001293486224 1066023686 /nfs/dbraw/zinc/02/36/86/1066023686.db2.gz XJQIWRUTBFKZLV-HXUWFJFHSA-N 0 3 480.654 2.791 20 0 JFADHN CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2CCC(OC)CC2)CCS1 ZINC001293504597 1066028453 /nfs/dbraw/zinc/02/84/53/1066028453.db2.gz BMBITRDKODTCHO-IBGZPJMESA-N 0 3 464.680 2.735 20 0 JFADHN C[C@H](C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001293558696 1066072454 /nfs/dbraw/zinc/07/24/54/1066072454.db2.gz SCPQGJLIWOUHFH-GOSISDBHSA-N 0 3 458.603 2.916 20 0 JFADHN CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1)C1CC1 ZINC001293559059 1066073180 /nfs/dbraw/zinc/07/31/80/1066073180.db2.gz YZDOLRYQJMCFQK-NRFANRHFSA-N 0 3 458.603 2.822 20 0 JFADHN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC001293564311 1066076998 /nfs/dbraw/zinc/07/69/98/1066076998.db2.gz CLJQYWVQJVVTNE-UHFFFAOYSA-N 0 3 458.628 2.611 20 0 JFADHN CC[C@@H]1CN(c2nnc(C3CCCC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CCN1CCOC ZINC001293588193 1066096513 /nfs/dbraw/zinc/09/65/13/1066096513.db2.gz USFTYVHLSULDRO-MQSCRBSSSA-N 0 3 462.683 2.982 20 0 JFADHN CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)CCS1 ZINC001293594856 1066102470 /nfs/dbraw/zinc/10/24/70/1066102470.db2.gz PKRXMAFBOGVEMH-MSOLQXFVSA-N 0 3 455.694 2.777 20 0 JFADHN CC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)CN2CCN(CC)CC2)CCO1 ZINC001293609694 1066125250 /nfs/dbraw/zinc/12/52/50/1066125250.db2.gz AEILMGOEEYMJBI-NZQKXSOJSA-N 0 3 458.626 2.897 20 0 JFADHN CC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)CN2CCN(CC)CC2)CCO1 ZINC001293609697 1066125301 /nfs/dbraw/zinc/12/53/01/1066125301.db2.gz AEILMGOEEYMJBI-OFNKIYASSA-N 0 3 458.626 2.897 20 0 JFADHN CC[C@H]1CN(c2nnc(COc3ccccc3F)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001293645678 1066161228 /nfs/dbraw/zinc/16/12/28/1066161228.db2.gz XNFOZKOJNWLIGK-FPOVZHCZSA-N 0 3 488.608 2.554 20 0 JFADHN CC/C=C/Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001293667771 1066170158 /nfs/dbraw/zinc/17/01/58/1066170158.db2.gz QSSXXUJDKPEMCH-DUMMIQTOSA-N 0 3 490.450 2.755 20 0 JFADHN CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001293744104 1066212198 /nfs/dbraw/zinc/21/21/98/1066212198.db2.gz VXTWBDOUHLKNED-FCHUYYIVSA-N 0 3 497.688 2.865 20 0 JFADHN CCCC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCC(C)(C)C2)CC1 ZINC001293764015 1066250405 /nfs/dbraw/zinc/25/04/05/1066250405.db2.gz WSCSIALBDYUTOH-UHFFFAOYSA-N 0 3 473.666 2.521 20 0 JFADHN O=C(CCCN1CCN(c2ccccc2)CC1)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC001293766103 1066254801 /nfs/dbraw/zinc/25/48/01/1066254801.db2.gz DWFMPHJCBDAUCT-RUZDIDTESA-N 0 3 450.627 2.649 20 0 JFADHN CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001293817568 1066324444 /nfs/dbraw/zinc/32/44/44/1066324444.db2.gz ISCIPWINULAEFB-BWKNWUBXSA-N 0 3 455.651 2.804 20 0 JFADHN Cc1cc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)nn1-c1nc(C)cc(C)n1 ZINC001293845001 1066347821 /nfs/dbraw/zinc/34/78/21/1066347821.db2.gz GMFMNRNAKGCICV-UHFFFAOYSA-N 0 3 452.534 3.000 20 0 JFADHN COc1cc(CCc2cc(NC(=O)[C@]3(O)CCN(Cc4ccccc4)C3)n[nH]2)cc(OC)c1 ZINC001293886536 1066389688 /nfs/dbraw/zinc/38/96/88/1066389688.db2.gz IPGNQGXLCRHNJZ-VWLOTQADSA-N 0 3 450.539 2.788 20 0 JFADHN CNS(=O)(=O)c1cccc(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)c1 ZINC001293910898 1066397253 /nfs/dbraw/zinc/39/72/53/1066397253.db2.gz CHMUAOPNCQNDJH-UHFFFAOYSA-N 0 3 451.976 2.521 20 0 JFADHN O=C(NC1CCN(CCOc2ccc(Br)cc2)CC1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001293911484 1066397866 /nfs/dbraw/zinc/39/78/66/1066397866.db2.gz IGKODMKYGCNFLP-SJORKVTESA-N 0 3 481.309 2.755 20 0 JFADHN C[C@H](Sc1nnnn1C1CC1)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001293912921 1066398273 /nfs/dbraw/zinc/39/82/73/1066398273.db2.gz XYFUUCYOJCCTCE-AWEZNQCLSA-N 0 3 450.996 2.802 20 0 JFADHN C[C@@H](Sc1nnnn1C1CC1)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001293912922 1066398452 /nfs/dbraw/zinc/39/84/52/1066398452.db2.gz XYFUUCYOJCCTCE-CQSZACIVSA-N 0 3 450.996 2.802 20 0 JFADHN CCC[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N(C)C ZINC001293920384 1066400527 /nfs/dbraw/zinc/40/05/27/1066400527.db2.gz AOUQJAGAIZVDPW-KSZLIROESA-N 0 3 484.692 2.600 20 0 JFADHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CC)C1 ZINC001293933796 1066413480 /nfs/dbraw/zinc/41/34/80/1066413480.db2.gz TWTQKHCXYMFUKO-HBMCJLEFSA-N 0 3 473.666 2.520 20 0 JFADHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CC)C1 ZINC001293933800 1066413982 /nfs/dbraw/zinc/41/39/82/1066413982.db2.gz TWTQKHCXYMFUKO-PWRODBHTSA-N 0 3 473.666 2.520 20 0 JFADHN CCC[C@@H]1CN(c2nnc(C)n2Cc2ccnc(OC3CCOCC3)c2)CCN1CCOC ZINC001294062111 1066534111 /nfs/dbraw/zinc/53/41/11/1066534111.db2.gz UJKNDZPBQNABBU-OAQYLSRUSA-N 0 3 458.607 2.525 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H]2COCCO2)CCN1CCOC ZINC001294066386 1066536230 /nfs/dbraw/zinc/53/62/30/1066536230.db2.gz HSUJGIKOUOTVRO-UXHICEINSA-N 0 3 479.025 2.736 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN2CCOC[C@@H]2C)CCN1CCOC ZINC001294065908 1066536352 /nfs/dbraw/zinc/53/63/52/1066536352.db2.gz FIZUSSCKFMXMHD-JTHBVZDNSA-N 0 3 456.635 2.603 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H]2COCCO2)CCN1CCOC ZINC001294066383 1066536395 /nfs/dbraw/zinc/53/63/95/1066536395.db2.gz HSUJGIKOUOTVRO-PMACEKPBSA-N 0 3 479.025 2.736 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccn(CC)c2=O)CCN1CCOC ZINC001294072668 1066542109 /nfs/dbraw/zinc/54/21/09/1066542109.db2.gz HTVXJNBBPDBOSF-NRFANRHFSA-N 0 3 465.602 2.507 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccc(C(=O)NC)c2)CCN1CCOC ZINC001294073116 1066542618 /nfs/dbraw/zinc/54/26/18/1066542618.db2.gz KBHOWXSEDPDZGP-QFIPXVFZSA-N 0 3 477.613 2.685 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@H]2CC(F)(F)CO2)CCN1CCOC ZINC001294076806 1066545987 /nfs/dbraw/zinc/54/59/87/1066545987.db2.gz LISXMOOJQALOPQ-RTBURBONSA-N 0 3 450.534 2.701 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2ccccc2)CCN1CCOC ZINC001294078064 1066548021 /nfs/dbraw/zinc/54/80/21/1066548021.db2.gz VKJPLQFAAIMWPR-BWKNWUBXSA-N 0 3 465.602 2.580 20 0 JFADHN CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCOC[C@@H]2OC)CCN1CCOC ZINC001294087543 1066559647 /nfs/dbraw/zinc/55/96/47/1066559647.db2.gz UEYKPINVXBJYOR-HBMCJLEFSA-N 0 3 451.656 2.855 20 0 JFADHN CCOc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc1 ZINC001294089536 1066560966 /nfs/dbraw/zinc/56/09/66/1066560966.db2.gz JVOAQTPYDHCCDE-FQEVSTJZSA-N 0 3 459.612 2.877 20 0 JFADHN CCOc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1 ZINC001294089537 1066561000 /nfs/dbraw/zinc/56/10/00/1066561000.db2.gz JVOAQTPYDHCCDE-HXUWFJFHSA-N 0 3 459.612 2.877 20 0 JFADHN c1sc2nc(CN3CCOCC3)nc(N3CC[C@@H]4NCCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164391435 718824535 /nfs/dbraw/zinc/82/45/35/718824535.db2.gz VUNPXUHOBIBKQM-VQTJNVASSA-N 0 3 451.596 2.758 20 0 JFADHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccc(Cl)cc1 ZINC001164630234 719134061 /nfs/dbraw/zinc/13/40/61/719134061.db2.gz HVYNMSAOOXXZDH-AWEZNQCLSA-N 0 3 475.279 2.637 20 0 JFADHN CN1CC2(CCN(c3ccc(CN4CCCC4)cn3)CC2)COc2ccccc2S1(=O)=O ZINC001164691592 719779620 /nfs/dbraw/zinc/77/96/20/719779620.db2.gz OVKLFFQUEUVSAO-UHFFFAOYSA-N 0 3 456.612 2.977 20 0 JFADHN CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164729634 720565669 /nfs/dbraw/zinc/56/56/69/720565669.db2.gz RXJAAJULFFJADT-UHFFFAOYSA-N 0 3 451.575 2.833 20 0 JFADHN CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c12 ZINC001164764464 721074905 /nfs/dbraw/zinc/07/49/05/721074905.db2.gz HUAJXEOUMRKIOL-OALUTQOASA-N 0 3 459.554 2.751 20 0 JFADHN c1ccc(CN2CCc3c(ncnc3N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)C2)cc1 ZINC001164866397 721079309 /nfs/dbraw/zinc/07/93/09/721079309.db2.gz TURZOYZDAPKFMB-ZEQRLZLVSA-N 0 3 456.594 2.910 20 0 JFADHN Cc1cc2c(ncnc2N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)n1S(=O)(=O)c1ccccc1 ZINC001164772707 721094981 /nfs/dbraw/zinc/09/49/81/721094981.db2.gz VWBURWQRYRAFSD-NHCUHLMSSA-N 0 3 491.621 2.669 20 0 JFADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c4ncn5[C@@H]4CCCCO4)C[C@H]3C2)cn1 ZINC001164774070 721126970 /nfs/dbraw/zinc/12/69/70/721126970.db2.gz ZUODLXPRUWZHHA-KURKYZTESA-N 0 3 456.982 2.871 20 0 JFADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5c4ccn5COC(=O)C(C)(C)C)C[C@H]3C2)cn1 ZINC001164774129 721134631 /nfs/dbraw/zinc/13/46/31/721134631.db2.gz ZURVDPAGWBHRLT-RBUKOAKNSA-N 0 3 451.575 2.670 20 0 JFADHN c1ccc(N2CCN(c3ccc(N4CCN5C[C@@H](OCc6cccnc6)C[C@@H]5C4)nn3)CC2)cc1 ZINC001164877004 721147611 /nfs/dbraw/zinc/14/76/11/721147611.db2.gz NPKYDEKHIKQJQZ-RPBOFIJWSA-N 0 3 471.609 2.678 20 0 JFADHN CN(C)C(=O)CN1CCOCC2(CCN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)CC2)C1 ZINC001164870420 721268004 /nfs/dbraw/zinc/26/80/04/721268004.db2.gz YHAUXSDUJSWSGB-UHFFFAOYSA-N 0 3 477.653 2.647 20 0 JFADHN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cccc(N4CCN(C)CC4)n3)C2)C1 ZINC001164784067 721358071 /nfs/dbraw/zinc/35/80/71/721358071.db2.gz QGYAFUVPUYEJHW-RUZDIDTESA-N 0 3 454.619 2.557 20 0 JFADHN COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164897349 721426840 /nfs/dbraw/zinc/42/68/40/721426840.db2.gz SZDXFTBMEUYNMV-QHEGARSSSA-N 0 3 453.587 2.515 20 0 JFADHN CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164904673 721541385 /nfs/dbraw/zinc/54/13/85/721541385.db2.gz FXRNUNGTGPYYSU-NVXWUHKLSA-N 0 3 474.924 2.524 20 0 JFADHN CCOC(=O)C1CCN(c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)CC1 ZINC001164908788 721542941 /nfs/dbraw/zinc/54/29/41/721542941.db2.gz QNSURQQLNBTYPX-RBBKRZOGSA-N 0 3 469.561 2.737 20 0 JFADHN CCOC(=O)c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C(=O)OCC ZINC001164907005 721568054 /nfs/dbraw/zinc/56/80/54/721568054.db2.gz LTZCWGWFYGTXCP-MJGOQNOKSA-N 0 3 457.502 2.916 20 0 JFADHN CC(C)(C)C(=O)Nc1ccnc(N2CCN(CCc3ccccn3)CC2)c1CN1CC[C@H](CO)C1 ZINC001165056567 722015619 /nfs/dbraw/zinc/01/56/19/722015619.db2.gz WJBAISKTNFFEKE-NRFANRHFSA-N 0 3 480.657 2.640 20 0 JFADHN CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980300 722133619 /nfs/dbraw/zinc/13/36/19/722133619.db2.gz MPLCKHQILDRGBQ-DENIHFKCSA-N 0 3 453.587 2.681 20 0 JFADHN c1ccc(N2CCN(c3ccc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@H]5C4)nn3)CC2)cc1 ZINC001164984234 722142567 /nfs/dbraw/zinc/14/25/67/722142567.db2.gz WPCCQCGWGLCOCU-RSXGOPAZSA-N 0 3 485.636 2.926 20 0 JFADHN CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164976073 722144172 /nfs/dbraw/zinc/14/41/72/722144172.db2.gz GZEWJAAICWPOKU-IFMALSPDSA-N 0 3 473.643 2.671 20 0 JFADHN Clc1nnc(Cl)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1N1CCOCC1 ZINC001164973182 722158639 /nfs/dbraw/zinc/15/86/39/722158639.db2.gz LRJHFYDLCRUHRF-ROUUACIJSA-N 0 3 479.412 2.742 20 0 JFADHN COC1(C(F)(F)Cn2c([C@H]3CCCO3)nnc2N2CCN(CC(C)C)CC2)CCOCC1 ZINC001299740037 1059484472 /nfs/dbraw/zinc/48/44/72/1059484472.db2.gz KCGIAARNSFCXMQ-GOSISDBHSA-N 0 3 457.566 2.739 20 0 JFADHN CCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC001264226925 1059542873 /nfs/dbraw/zinc/54/28/73/1059542873.db2.gz YIAODIMNKMVHOV-OAHLLOKOSA-N 0 3 452.479 2.523 20 0 JFADHN COCCOCc1ccc(C(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC001264832116 1059700065 /nfs/dbraw/zinc/70/00/65/1059700065.db2.gz WDJJNSMCQUGTSE-QHCPKHFHSA-N 0 3 452.599 2.919 20 0 JFADHN C[C@H]1Cc2cc(C(=O)NCC3(N4CCSCC4)CCCCC3)ccc2N1S(C)(=O)=O ZINC001265126643 1059774053 /nfs/dbraw/zinc/77/40/53/1059774053.db2.gz IOWKDSSGXMKPLT-KRWDZBQOSA-N 0 3 451.658 2.879 20 0 JFADHN CC(C)(C)OC(=O)Nc1cnc(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)cn1 ZINC001265131670 1059774706 /nfs/dbraw/zinc/77/47/06/1059774706.db2.gz HOIUXKORIRXPDA-UHFFFAOYSA-N 0 3 454.531 2.902 20 0 JFADHN CC(=O)N1C[C@H](C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)Oc2ccccc21 ZINC001265247641 1059805799 /nfs/dbraw/zinc/80/57/99/1059805799.db2.gz PALQDRQWCGSUSK-NFBKMPQASA-N 0 3 450.539 2.605 20 0 JFADHN CN(C(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1)[C@H]1CCCN(C)C1 ZINC001265247169 1059806302 /nfs/dbraw/zinc/80/63/02/1059806302.db2.gz LPEQLLWMIYWCPW-UNMCSNQZSA-N 0 3 455.603 2.719 20 0 JFADHN CN(C)CCN(C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C1CCCC1 ZINC001265738147 1059918547 /nfs/dbraw/zinc/91/85/47/1059918547.db2.gz NUUGBUXSPXYNPA-UHFFFAOYSA-N 0 3 453.513 2.692 20 0 JFADHN COc1ccc(C(=O)N(CCN(C)C)Cc2cccs2)cc1S(=O)(=O)N1CCCC1 ZINC001265755680 1059921105 /nfs/dbraw/zinc/92/11/05/1059921105.db2.gz DRYDKYNPBNJBGL-UHFFFAOYSA-N 0 3 451.614 2.745 20 0 JFADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000616159180 1059921357 /nfs/dbraw/zinc/92/13/57/1059921357.db2.gz MZCGHVBIBVRELV-JOCHJYFZSA-N 0 3 458.553 2.648 20 0 JFADHN CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCN2C2CCCCC2)ccc1Br ZINC001279577371 1059984643 /nfs/dbraw/zinc/98/46/43/1059984643.db2.gz HLFDUHZNQWRLEH-INIZCTEOSA-N 0 3 458.422 2.836 20 0 JFADHN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)c1 ZINC001279601254 1059986001 /nfs/dbraw/zinc/98/60/01/1059986001.db2.gz GKBLACGBFDZGMF-IBGZPJMESA-N 0 3 451.633 2.741 20 0 JFADHN Cc1ccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@@H](c2ccsc2)N(C)C)o1 ZINC001289587283 1061232501 /nfs/dbraw/zinc/23/25/01/1061232501.db2.gz XHKUCJUCKWHLJO-MJGOQNOKSA-N 0 3 492.671 2.977 20 0 JFADHN CC(=O)N1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC(CN3CCOCC3)CC2)C1 ZINC001286862857 1061237111 /nfs/dbraw/zinc/23/71/11/1061237111.db2.gz SAMZTYIGHOOMMB-QFIPXVFZSA-N 0 3 460.667 2.674 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CCOc3cc(C)cc(C)c3)C[C@H]2C)CC1 ZINC001286868467 1061257377 /nfs/dbraw/zinc/25/73/77/1061257377.db2.gz AISQVDFVZKWLGA-HYBUGGRVSA-N 0 3 454.619 2.661 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccn4C)n3CCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286870277 1061264467 /nfs/dbraw/zinc/26/44/67/1061264467.db2.gz INKOBRQZTYOKER-URXFXBBRSA-N 0 3 485.677 2.725 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccccc4C)n3CCC(=O)NC(C)C)C[C@H]2C)CC1 ZINC001286870488 1061266117 /nfs/dbraw/zinc/26/61/17/1061266117.db2.gz IPPCZPOCXWOCPS-ZJSXRUAMSA-N 0 3 495.672 2.547 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCn3cc(Cl)cn3)C[C@@H]2C)CC1 ZINC001286870818 1061268143 /nfs/dbraw/zinc/26/81/43/1061268143.db2.gz KNCBXTSSONRKQR-FXAWDEMLSA-N 0 3 477.057 2.505 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc([C@H]4CCCO4)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286870891 1061268868 /nfs/dbraw/zinc/26/88/68/1061268868.db2.gz LMQYRHWLEZJRGA-ACIOBRDBSA-N 0 3 476.666 2.571 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCCC3CCCC3)C[C@@H]2C)CC1 ZINC001286871722 1061275096 /nfs/dbraw/zinc/27/50/96/1061275096.db2.gz PHVKVIHIPRBNJP-NZQKXSOJSA-N 0 3 487.693 2.766 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc(C)o4)n3CCCOCC(F)F)C[C@H]2C)CC1 ZINC001286872145 1061276755 /nfs/dbraw/zinc/27/67/55/1061276755.db2.gz SITBMRXEDXFZIT-YLJYHZDGSA-N 0 3 494.587 2.897 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccn4C)n3CCCOCC(C)C)C[C@H]2C)CC1 ZINC001286872176 1061277170 /nfs/dbraw/zinc/27/71/70/1061277170.db2.gz SVIDOTXBKIMTNZ-QPPBQGQZSA-N 0 3 485.677 2.725 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccn4C)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286872177 1061277473 /nfs/dbraw/zinc/27/74/73/1061277473.db2.gz SVIDOTXBKIMTNZ-URXFXBBRSA-N 0 3 485.677 2.725 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CCOc3ccccc3Cl)C[C@@H]2C)CC1 ZINC001286872358 1061277877 /nfs/dbraw/zinc/27/78/77/1061277877.db2.gz UQCPGPWYUJLWMP-LAUBAEHRSA-N 0 3 461.010 2.698 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3CCc3cccnc3)C[C@@H]2C)CC1 ZINC001286872373 1061278207 /nfs/dbraw/zinc/27/82/07/1061278207.db2.gz UYFVKNMTXBDGCZ-UGKGYDQZSA-N 0 3 453.635 2.592 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CCCCc3nc(C)cs3)C[C@H]2C)CC1 ZINC001286872722 1061280100 /nfs/dbraw/zinc/28/01/00/1061280100.db2.gz XFYUPFWGTLESQA-DYESRHJHSA-N 0 3 459.664 2.753 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C4CC4)n3CCCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286872738 1061280813 /nfs/dbraw/zinc/28/08/13/1061280813.db2.gz XGNWZGQTNOORQU-REWPJTCUSA-N 0 3 460.667 2.987 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@](C)(O)c3ccsc3)C[C@H]2C)CC1 ZINC001286872765 1061280883 /nfs/dbraw/zinc/28/08/83/1061280883.db2.gz XQVYOALHGMXOHD-OPJGWUQDSA-N 0 3 488.702 2.825 20 0 JFADHN CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC001286880726 1061304763 /nfs/dbraw/zinc/30/47/63/1061304763.db2.gz TXCAIZCLHXSXOV-UEVCKROQSA-N 0 3 454.619 2.840 20 0 JFADHN Cc1ccc(Cn2c(COc3ccccc3F)nnc2N2CCN(CC(C)C)CC2)c(=O)n1C ZINC001289695165 1061308196 /nfs/dbraw/zinc/30/81/96/1061308196.db2.gz RSFVJHOJBNIUQU-UHFFFAOYSA-N 0 3 468.577 2.830 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCN2CCC[C@H](C)C2)cc1C ZINC001289737412 1061349639 /nfs/dbraw/zinc/34/96/39/1061349639.db2.gz FCJBDIRYUYWTTK-PXNSSMCTSA-N 0 3 467.618 2.581 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)CC3)n2CCCn2ccnn2)cc1C ZINC001289744585 1061362625 /nfs/dbraw/zinc/36/26/25/1061362625.db2.gz ZQKPCWQCBLLOQM-UHFFFAOYSA-N 0 3 465.606 2.607 20 0 JFADHN Cc1ccc(O[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC001289759336 1061381216 /nfs/dbraw/zinc/38/12/16/1061381216.db2.gz LGSZKEVRWGFYJO-NRFANRHFSA-N 0 3 454.619 2.922 20 0 JFADHN Cc1ccc(SCc2nnc(N3CCC(C(N)=O)CC3)n2CCN2CCN(C)C(C)(C)C2)cc1 ZINC001289867759 1061549520 /nfs/dbraw/zinc/54/95/20/1061549520.db2.gz LQKRXOHAWDCZAV-UHFFFAOYSA-N 0 3 485.702 2.607 20 0 JFADHN CCC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001294093456 1061572075 /nfs/dbraw/zinc/57/20/75/1061572075.db2.gz DQHUFJMIIACOQX-SFTDATJTSA-N 0 3 489.690 2.582 20 0 JFADHN Cc1cccc(C(=O)NCCn2c(N3CCN(C(C)(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001289893321 1061578509 /nfs/dbraw/zinc/57/85/09/1061578509.db2.gz HMORZHTVZIDOCO-MHZLTWQESA-N 0 3 498.672 2.978 20 0 JFADHN CN(CCNC(=O)C1CCN(C(=O)C2(C(=O)OC(C)(C)C)CCC2)CC1)Cc1ccccc1 ZINC001294110846 1061594528 /nfs/dbraw/zinc/59/45/28/1061594528.db2.gz LYDFZYIVYTXLIX-UHFFFAOYSA-N 0 3 457.615 2.985 20 0 JFADHN CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001294120090 1061600199 /nfs/dbraw/zinc/60/01/99/1061600199.db2.gz CPSVSNGAYODIPG-UHFFFAOYSA-N 0 3 478.439 2.970 20 0 JFADHN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C)n2)n1CCN1CCN(C)C(C)(C)C1 ZINC001289915699 1061608216 /nfs/dbraw/zinc/60/82/16/1061608216.db2.gz QDHSKZQHPYMBOT-UHFFFAOYSA-N 0 3 465.650 2.661 20 0 JFADHN CCCCCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@H]2C)CC1 ZINC001294168565 1061667569 /nfs/dbraw/zinc/66/75/69/1061667569.db2.gz RLZODZQWLIKAFZ-HXUWFJFHSA-N 0 3 473.666 2.521 20 0 JFADHN Cc1cccc(-c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC2(N(C)C)CCCC2)n1 ZINC001289972303 1061681169 /nfs/dbraw/zinc/68/11/69/1061681169.db2.gz KETCBRAWCKENJA-IBGZPJMESA-N 0 3 460.648 2.926 20 0 JFADHN Cc1cccc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2CCSC(C)C)n1 ZINC001289978525 1061698232 /nfs/dbraw/zinc/69/82/32/1061698232.db2.gz BIOJPBBFNAOBDM-UHFFFAOYSA-N 0 3 457.648 2.535 20 0 JFADHN Cc1cccc([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCCN3CCC[C@H]3C(=O)N(C)C)C2)c1 ZINC001290000639 1061724322 /nfs/dbraw/zinc/72/43/22/1061724322.db2.gz GDCCJYRKEHUVHK-PKTZIBPZSA-N 0 3 495.672 2.661 20 0 JFADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C1CC1)N(C)C ZINC001286973390 1061760610 /nfs/dbraw/zinc/76/06/10/1061760610.db2.gz QJXUXYXTQGGGIL-PBFPGSCMSA-N 0 3 487.468 2.634 20 0 JFADHN CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001294260442 1061762527 /nfs/dbraw/zinc/76/25/27/1061762527.db2.gz IRCYTWXNTQKKDM-IBGZPJMESA-N 0 3 486.617 2.514 20 0 JFADHN Cc1cccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@H](C(C)C)N2CCCC2)c1 ZINC001290045917 1061764149 /nfs/dbraw/zinc/76/41/49/1061764149.db2.gz AFRVHCIYMZHTAE-RBBKRZOGSA-N 0 3 475.659 2.909 20 0 JFADHN Cc1cccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCN(C(C)C)C(C)C)c1 ZINC001290047750 1061767941 /nfs/dbraw/zinc/76/79/41/1061767941.db2.gz UFVSQIJLSAWQFX-FQEVSTJZSA-N 0 3 463.648 2.908 20 0 JFADHN CCCCn1cc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(C)n1 ZINC001294303710 1061790816 /nfs/dbraw/zinc/79/08/16/1061790816.db2.gz FMJADWMTUHYQRK-JOCHJYFZSA-N 0 3 470.666 2.573 20 0 JFADHN CCCCN1CCCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCS(C)(=O)=O ZINC001294309571 1061799379 /nfs/dbraw/zinc/79/93/79/1061799379.db2.gz XPUQCMAEVYKSFX-FQEVSTJZSA-N 0 3 491.658 2.852 20 0 JFADHN Cc1ccccc1-c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@H](c1cccs1)N(C)C ZINC001290106887 1061834576 /nfs/dbraw/zinc/83/45/76/1061834576.db2.gz GETGLKSTSZEPJV-GOSISDBHSA-N 0 3 462.645 2.603 20 0 JFADHN Cc1ccccc1-c1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1CCN1CC=CCC1 ZINC001290123599 1061853362 /nfs/dbraw/zinc/85/33/62/1061853362.db2.gz BUECFJSOOHONJH-NRFANRHFSA-N 0 3 472.659 2.623 20 0 JFADHN Cc1ccccc1Cc1nnc(N(C)Cc2cnccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001290151182 1061892374 /nfs/dbraw/zinc/89/23/74/1061892374.db2.gz NEJVQUBBGOYPSD-QHCPKHFHSA-N 0 3 476.629 2.546 20 0 JFADHN CCCCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCN2CC)CC1 ZINC001294349327 1061913823 /nfs/dbraw/zinc/91/38/23/1061913823.db2.gz OPEMZJAVVHVNJC-FQEVSTJZSA-N 0 3 482.633 2.542 20 0 JFADHN Cc1ccccc1Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001290176441 1061924239 /nfs/dbraw/zinc/92/42/39/1061924239.db2.gz KOUUGELZFYUQJS-FQEVSTJZSA-N 0 3 488.683 2.623 20 0 JFADHN CC(C)(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001287007807 1061932380 /nfs/dbraw/zinc/93/23/80/1061932380.db2.gz SHVUPRRUJWUVRY-RUZDIDTESA-N 0 3 489.064 2.881 20 0 JFADHN Cc1ccccc1OCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001290206303 1061951477 /nfs/dbraw/zinc/95/14/77/1061951477.db2.gz HSLNTQRRJVOGJG-QHCPKHFHSA-N 0 3 497.688 2.799 20 0 JFADHN CCCCOc1ncccc1Cn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1C(C)(C)C ZINC001294380778 1061953936 /nfs/dbraw/zinc/95/39/36/1061953936.db2.gz NQQOHLGGWWEZLN-OAQYLSRUSA-N 0 3 483.661 2.941 20 0 JFADHN CCCCOc1ncccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)(C)C)CC1 ZINC001294381705 1061954482 /nfs/dbraw/zinc/95/44/82/1061954482.db2.gz VIMATVAWTYPQGX-UHFFFAOYSA-N 0 3 469.634 2.943 20 0 JFADHN CC(C)(C)Cc1nnc(N2CCN(C3CCOCC3)CC2)n1CCNC(=O)c1ccccc1F ZINC001287034117 1061994228 /nfs/dbraw/zinc/99/42/28/1061994228.db2.gz FTQMISYDBGEGIM-UHFFFAOYSA-N 0 3 472.609 2.737 20 0 JFADHN COc1ccc(Br)cc1-c1ncc(C(=O)NCCCN2CCN(C)CC2)s1 ZINC001290270497 1061998788 /nfs/dbraw/zinc/99/87/88/1061998788.db2.gz CFRWBXBLSLCODO-UHFFFAOYSA-N 0 3 453.406 2.949 20 0 JFADHN C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCN1CCN(C)CC1 ZINC001290272217 1062002273 /nfs/dbraw/zinc/00/22/73/1062002273.db2.gz YSYYKNFQRNTYPI-LJQANCHMSA-N 0 3 450.583 2.667 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(C)(C)O)CC1 ZINC001287039284 1062006084 /nfs/dbraw/zinc/00/60/84/1062006084.db2.gz BZVZBKJZGTUHNB-UHFFFAOYSA-N 0 3 453.591 2.923 20 0 JFADHN CC(C)(C)CCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001287041428 1062009637 /nfs/dbraw/zinc/00/96/37/1062009637.db2.gz RPVGUDQSWGSJTM-UHFFFAOYSA-N 0 3 453.635 2.835 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCOC2)CC1 ZINC001287041803 1062010703 /nfs/dbraw/zinc/01/07/03/1062010703.db2.gz RVTSBCINEPPHKD-XMMPIXPASA-N 0 3 461.582 2.706 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCOC2)CC1 ZINC001287042504 1062012654 /nfs/dbraw/zinc/01/26/54/1062012654.db2.gz BGPOWJJCQKNZAW-JOCHJYFZSA-N 0 3 451.518 2.618 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCOC2=O)CC1 ZINC001287043394 1062015170 /nfs/dbraw/zinc/01/51/70/1062015170.db2.gz AZVNOWONRAXXNL-UHFFFAOYSA-N 0 3 462.545 2.910 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[C@@H](O)C2)CC1 ZINC001287043517 1062015656 /nfs/dbraw/zinc/01/56/56/1062015656.db2.gz GDFGKDYBQDTESI-ZWKOTPCHSA-N 0 3 460.648 2.741 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001287044129 1062018421 /nfs/dbraw/zinc/01/84/21/1062018421.db2.gz QRDFFZAOCAGQBI-VQTJNVASSA-N 0 3 464.010 2.971 20 0 JFADHN CC(C)(C)N1CCN(c2nnc([C@H]3CCOC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001287044901 1062021508 /nfs/dbraw/zinc/02/15/08/1062021508.db2.gz WXAVJLOJXNJJTC-HNNXBMFYSA-N 0 3 468.528 2.623 20 0 JFADHN COC(=O)c1ccsc1N1CC[C@@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1=O ZINC001294480494 1062030775 /nfs/dbraw/zinc/03/07/75/1062030775.db2.gz FXWTVGSSCOMSNL-VQIMIIECSA-N 0 3 459.543 2.808 20 0 JFADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001294523168 1062059206 /nfs/dbraw/zinc/05/92/06/1062059206.db2.gz XIDXTZHSDCLOIJ-FCHUYYIVSA-N 0 3 459.660 2.981 20 0 JFADHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001294523171 1062059497 /nfs/dbraw/zinc/05/94/97/1062059497.db2.gz XIDXTZHSDCLOIJ-FGZHOGPDSA-N 0 3 459.660 2.981 20 0 JFADHN CC(C)(C)OC(=O)NCC(F)(F)Cn1c(Cc2cccnc2)nnc1N1CCN(CC2CC2)CC1 ZINC001287060201 1062091741 /nfs/dbraw/zinc/09/17/41/1062091741.db2.gz HQQHXUGYGJGJGG-UHFFFAOYSA-N 0 3 491.587 2.956 20 0 JFADHN Cc1nc(Cc2nnc(N(C)CC(F)(F)F)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cs1 ZINC001290391001 1062093498 /nfs/dbraw/zinc/09/34/98/1062093498.db2.gz JGXCOBYKESVATE-MRXNPFEDSA-N 0 3 473.569 2.575 20 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Cc1nc(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@@]2(O)CCO[C@@H]2C)cs1 ZINC001290434936 1062201448 /nfs/dbraw/zinc/20/14/48/1062201448.db2.gz AFLZPWKVBNIBFL-HXOBKFHXSA-N 0 3 462.664 2.732 20 0 JFADHN CCCN1CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC001294660991 1062211080 /nfs/dbraw/zinc/21/10/80/1062211080.db2.gz HYNDZBPVBGOQNG-CTNGQTDRSA-N 0 3 463.623 2.753 20 0 JFADHN CCCN1CC[C@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC001294662437 1062214194 /nfs/dbraw/zinc/21/41/94/1062214194.db2.gz NAFFZGRAHNGJDO-MOPGFXCFSA-N 0 3 472.659 2.951 20 0 JFADHN CCCN1CC[C@H](Cn2c(COc3ccccc3OC)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294667399 1062222374 /nfs/dbraw/zinc/22/23/74/1062222374.db2.gz ZPGDKGGYULRHOG-VQTJNVASSA-N 0 3 491.658 2.611 20 0 JFADHN CCC[N@@H+]1CC[C@H](Cn2c(N3CCN(C(=O)c4ccccc4[O-])CC3)nnc2C(C)(C)C)C1 ZINC001294669365 1062225635 /nfs/dbraw/zinc/22/56/35/1062225635.db2.gz IXPDYHFCBFVJHB-IBGZPJMESA-N 0 3 454.619 2.976 20 0 JFADHN CCC[N@H+]1CC[C@H](Cn2c(N3CCN(C(=O)c4ccccc4[O-])CC3)nnc2C(C)(C)C)C1 ZINC001294669365 1062225663 /nfs/dbraw/zinc/22/56/63/1062225663.db2.gz IXPDYHFCBFVJHB-IBGZPJMESA-N 0 3 454.619 2.976 20 0 JFADHN CC(C)(C)OCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001287083210 1062243472 /nfs/dbraw/zinc/24/34/72/1062243472.db2.gz ZAEYREKSEXVZSW-UHFFFAOYSA-N 0 3 490.599 2.707 20 0 JFADHN Cc1ncc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)N2CCCCC2)s1 ZINC001290481162 1062271011 /nfs/dbraw/zinc/27/10/11/1062271011.db2.gz RTADBDQMPLWOAJ-AEFFLSMTSA-N 0 3 466.677 2.846 20 0 JFADHN Cc1ncc(CN(C)c2nnc(Cc3ccncc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)s1 ZINC001290482170 1062271994 /nfs/dbraw/zinc/27/19/94/1062271994.db2.gz GIYKLLSMJUNSSY-NRFANRHFSA-N 0 3 482.658 2.608 20 0 JFADHN CC(C)(O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001287095885 1062299908 /nfs/dbraw/zinc/29/99/08/1062299908.db2.gz JWSOJGCFUIMLDQ-UHFFFAOYSA-N 0 3 461.010 2.504 20 0 JFADHN CCCN1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1=O ZINC001294733198 1062314447 /nfs/dbraw/zinc/31/44/47/1062314447.db2.gz LBRUHQHFDKLAPM-YADHBBJMSA-N 0 3 454.619 2.842 20 0 JFADHN CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCOC3)n2CCN(C)Cc2ccccc2)CC1 ZINC001287108741 1062320695 /nfs/dbraw/zinc/32/06/95/1062320695.db2.gz DKZIIENYHBVRTD-QFIPXVFZSA-N 0 3 454.619 2.609 20 0 JFADHN CC(C)C(=O)NC1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001287121128 1062366565 /nfs/dbraw/zinc/36/65/65/1062366565.db2.gz WEGWTOTULHCPNS-QFIPXVFZSA-N 0 3 480.592 2.918 20 0 JFADHN CCCNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)c1 ZINC001294770400 1062368412 /nfs/dbraw/zinc/36/84/12/1062368412.db2.gz FTHXHNWUFSUTBK-RTBURBONSA-N 0 3 469.634 2.523 20 0 JFADHN C[C@@H]1C[C@H](NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CN1Cc1ccccc1 ZINC001294801245 1062444078 /nfs/dbraw/zinc/44/40/78/1062444078.db2.gz GBXZKBMDLBQBPH-PBHICJAKSA-N 0 3 456.340 2.824 20 0 JFADHN CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001294803015 1062449435 /nfs/dbraw/zinc/44/94/35/1062449435.db2.gz JKGVFPPMILILTJ-JTHBVZDNSA-N 0 3 499.679 2.777 20 0 JFADHN CCCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001294828104 1062514729 /nfs/dbraw/zinc/51/47/29/1062514729.db2.gz JURTWADLJDUMNV-OAQYLSRUSA-N 0 3 472.609 2.796 20 0 JFADHN CC(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCOC1)N1CCCC1 ZINC001287156347 1062542828 /nfs/dbraw/zinc/54/28/28/1062542828.db2.gz INVNZXLJVZWUNL-KNQAVFIVSA-N 0 3 475.659 2.942 20 0 JFADHN CC(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001287158664 1062552383 /nfs/dbraw/zinc/55/23/83/1062552383.db2.gz GWKXPLYRNKYYAN-PMACEKPBSA-N 0 3 462.639 2.863 20 0 JFADHN CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1)N1CCOCC1 ZINC001287162701 1062565675 /nfs/dbraw/zinc/56/56/75/1062565675.db2.gz SKAQAISFNARRQW-PKTZIBPZSA-N 0 3 476.710 2.772 20 0 JFADHN CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1)N1CCOCC1 ZINC001287162699 1062565926 /nfs/dbraw/zinc/56/59/26/1062565926.db2.gz SKAQAISFNARRQW-DHIUTWEWSA-N 0 3 476.710 2.772 20 0 JFADHN CC(C)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001287163279 1062568200 /nfs/dbraw/zinc/56/82/00/1062568200.db2.gz WAVYVSZMUSTPDF-SFTDATJTSA-N 0 3 463.623 2.752 20 0 JFADHN CC(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001287163634 1062570999 /nfs/dbraw/zinc/57/09/99/1062570999.db2.gz XCPQCDLBZCKPFJ-FGZHOGPDSA-N 0 3 474.675 2.788 20 0 JFADHN CCCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC2CC2)CC1 ZINC001294889568 1062615211 /nfs/dbraw/zinc/61/52/11/1062615211.db2.gz WEWSLOMRLNUHPU-UHFFFAOYSA-N 0 3 479.398 2.905 20 0 JFADHN CC(C)c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001287191711 1062618231 /nfs/dbraw/zinc/61/82/31/1062618231.db2.gz KZCKPINBFNTGKW-QFIPXVFZSA-N 0 3 472.609 2.919 20 0 JFADHN CC(C)c1nnc(N2CCC(CCCN3CCOCC3)CC2)n1CCN1CCSCC1 ZINC001287196508 1062628074 /nfs/dbraw/zinc/62/80/74/1062628074.db2.gz LYBQHNNWZHPWHJ-UHFFFAOYSA-N 0 3 450.697 2.779 20 0 JFADHN CCCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001294905722 1062642868 /nfs/dbraw/zinc/64/28/68/1062642868.db2.gz YYNCVMXWZPWGMU-UHFFFAOYSA-N 0 3 497.692 2.537 20 0 JFADHN CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1ccccc1OC(F)F ZINC001287213918 1062674227 /nfs/dbraw/zinc/67/42/27/1062674227.db2.gz HJHSQBGYZIFKFA-GOSISDBHSA-N 0 3 462.545 2.794 20 0 JFADHN CN1CCN(CCCNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@H](c2ccccc2)C1 ZINC001290819210 1062715119 /nfs/dbraw/zinc/71/51/19/1062715119.db2.gz CWUZEUNSESDFMM-CVDCTZTESA-N 0 3 456.537 2.813 20 0 JFADHN CCN1CCN(Cc2ccccc2CNC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)CC1 ZINC001290862566 1062746305 /nfs/dbraw/zinc/74/63/05/1062746305.db2.gz QNDSSBCHNMHXNS-UHFFFAOYSA-N 0 3 451.546 2.762 20 0 JFADHN Cc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001290868420 1062751308 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IMGNSVIBHRNQMG-UHFFFAOYSA-N 0 3 457.376 2.559 20 0 JFADHN CC(C)C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O)N(C)C ZINC001287321456 1062798010 /nfs/dbraw/zinc/79/80/10/1062798010.db2.gz HMTHJPYJXPIIJD-MMHMDJKXSA-N 0 3 489.686 2.922 20 0 JFADHN CC(C)C[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001287321890 1062799166 /nfs/dbraw/zinc/79/91/66/1062799166.db2.gz LGAVDKONZXTUFQ-VQTJNVASSA-N 0 3 485.658 2.935 20 0 JFADHN CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N(C)C ZINC001287321577 1062799291 /nfs/dbraw/zinc/79/92/91/1062799291.db2.gz JQVNKWFWGIYXKU-ZWKOTPCHSA-N 0 3 469.055 2.983 20 0 JFADHN CC(C)Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 ZINC001287356031 1062826924 /nfs/dbraw/zinc/82/69/24/1062826924.db2.gz JVTGNGGSOBIGCF-YADHBBJMSA-N 0 3 459.660 2.665 20 0 JFADHN CCN(C)C(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001295052605 1062855838 /nfs/dbraw/zinc/85/58/38/1062855838.db2.gz BUSURYUEVOMWMW-OALUTQOASA-N 0 3 455.607 2.544 20 0 JFADHN CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001287445494 1062879908 /nfs/dbraw/zinc/87/99/08/1062879908.db2.gz AUIPWUIEDIDNCS-NHCUHLMSSA-N 0 3 489.709 2.550 20 0 JFADHN CC(C)Cc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001287448857 1062885610 /nfs/dbraw/zinc/88/56/10/1062885610.db2.gz XSUMVCNQZGXTGH-YADHBBJMSA-N 0 3 492.665 2.923 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H](C)Oc1cccc(F)c1 ZINC001287465089 1062910377 /nfs/dbraw/zinc/91/03/77/1062910377.db2.gz VGVRUIOHLXSFDP-FQEVSTJZSA-N 0 3 472.609 2.828 20 0 JFADHN C[C@@H]1C[C@H](C)CN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCc2nccs2)C1 ZINC001291012551 1062917084 /nfs/dbraw/zinc/91/70/84/1062917084.db2.gz AUGUBYSFOHLFJO-OTWHNJEPSA-N 0 3 480.704 2.684 20 0 JFADHN C[C@@H]1C[C@H](C)CN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001291013142 1062919526 /nfs/dbraw/zinc/91/95/26/1062919526.db2.gz JPASYQQZQVQULV-MBDNFAEBSA-N 0 3 481.707 2.944 20 0 JFADHN CC(C)Cc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001287471659 1062920237 /nfs/dbraw/zinc/92/02/37/1062920237.db2.gz NHCRFGBRQYVNIY-JOCHJYFZSA-N 0 3 494.619 2.739 20 0 JFADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CCCN1C[C@H](C)C[C@H](C)C1 ZINC001291013783 1062921552 /nfs/dbraw/zinc/92/15/52/1062921552.db2.gz RQYQKPXGCJYZQW-HGJUEJDCSA-N 0 3 469.696 2.798 20 0 JFADHN C[C@@H]1C[C@@H](C)CN(CCCn2c(COc3ccccc3F)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001291015164 1062925074 /nfs/dbraw/zinc/92/50/74/1062925074.db2.gz NDSNKSMISZUPFB-AQNXPRMDSA-N 0 3 493.649 2.988 20 0 JFADHN C[C@@H]1C[C@H](C)CN(CCCn2c(COc3ccccc3F)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001291015167 1062925368 /nfs/dbraw/zinc/92/53/68/1062925368.db2.gz NDSNKSMISZUPFB-ZCNNSNEGSA-N 0 3 493.649 2.988 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001287475924 1062925820 /nfs/dbraw/zinc/92/58/20/1062925820.db2.gz BTJJQFLWWUQCCK-UHFFFAOYSA-N 0 3 469.634 2.919 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001287475979 1062926487 /nfs/dbraw/zinc/92/64/87/1062926487.db2.gz DTCQRUFHDJBDOG-IBGZPJMESA-N 0 3 464.655 2.938 20 0 JFADHN C[C@@H]1C[C@@H](C)CN(CCCn2c(Cc3ccsc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001291015705 1062926649 /nfs/dbraw/zinc/92/66/49/1062926649.db2.gz VGXYAOYQISZPOH-QWFCFKBJSA-N 0 3 465.689 2.922 20 0 JFADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001291022729 1062942022 /nfs/dbraw/zinc/94/20/22/1062942022.db2.gz KXAOQIMLTGVQSM-IYWMVGAKSA-N 0 3 482.695 2.547 20 0 JFADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CCN(C)Cc1ccc(F)cc1 ZINC001291043356 1062972471 /nfs/dbraw/zinc/97/24/71/1062972471.db2.gz BPZBWNXWHSWZAO-KZNAEPCWSA-N 0 3 466.627 2.784 20 0 JFADHN C[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001291048476 1062977962 /nfs/dbraw/zinc/97/79/62/1062977962.db2.gz RUXXDKCXUDGTQT-KIZRIRGWSA-N 0 3 490.674 2.539 20 0 JFADHN CC(C)CC[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001287545991 1062979029 /nfs/dbraw/zinc/97/90/29/1062979029.db2.gz FFQTVRLKDACVGV-RUZDIDTESA-N 0 3 456.635 2.752 20 0 JFADHN CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295157329 1062980704 /nfs/dbraw/zinc/98/07/04/1062980704.db2.gz ZNUCRPNYJAJMSO-UXHICEINSA-N 0 3 463.648 2.943 20 0 JFADHN CC(C)O[C@]1(c2nnc(N3CCN(C4CCC(C)CC4)CC3)n2CCCC(=O)N(C)C)CCOC1 ZINC001291061367 1062996813 /nfs/dbraw/zinc/99/68/13/1062996813.db2.gz IWARQEHBSCWOPW-AJEPASEPSA-N 0 3 490.693 2.888 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1Cc1ncnn1C(C)(C)C ZINC001291061491 1062997630 /nfs/dbraw/zinc/99/76/30/1062997630.db2.gz MTZHXDFVRSUPTR-UHFFFAOYSA-N 0 3 471.654 2.512 20 0 JFADHN CC(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001287627781 1063008903 /nfs/dbraw/zinc/00/89/03/1063008903.db2.gz KXMAOKVRDPHGNL-QHAWAJNXSA-N 0 3 460.667 2.986 20 0 JFADHN CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295193549 1063013780 /nfs/dbraw/zinc/01/37/80/1063013780.db2.gz IQTFEDPGAKEXFM-CTNGQTDRSA-N 0 3 460.648 2.782 20 0 JFADHN CCN(c1nnc(Cc2cccnc2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295227414 1063049016 /nfs/dbraw/zinc/04/90/16/1063049016.db2.gz GVWBZUZMNQOYIQ-PZJWPPBQSA-N 0 3 460.648 2.542 20 0 JFADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001291090259 1063049552 /nfs/dbraw/zinc/04/95/52/1063049552.db2.gz SMAGJTYQYPSWQI-UWVAXJGDSA-N 0 3 466.627 2.957 20 0 JFADHN CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295228294 1063050333 /nfs/dbraw/zinc/05/03/33/1063050333.db2.gz OVNXLDCREWMBTK-FGZHOGPDSA-N 0 3 474.675 2.645 20 0 JFADHN C[C@@H]1CCCCN1CCCn1c(Cc2c(F)cccc2F)nnc1N(C)CCS(C)(=O)=O ZINC001291099373 1063065410 /nfs/dbraw/zinc/06/54/10/1063065410.db2.gz FZACQCOVVQCDMN-QGZVFWFLSA-N 0 3 469.602 2.892 20 0 JFADHN CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOc2ccc(F)cc2)CC1 ZINC001287740672 1063066376 /nfs/dbraw/zinc/06/63/76/1063066376.db2.gz IQEQTJDXHSROPP-UHFFFAOYSA-N 0 3 458.582 2.900 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001295263015 1063078605 /nfs/dbraw/zinc/07/86/05/1063078605.db2.gz VFIDSVYVSHUKPH-IYWMVGAKSA-N 0 3 469.696 2.940 20 0 JFADHN C[C@H]1CCCN(C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001291103002 1063079073 /nfs/dbraw/zinc/07/90/73/1063079073.db2.gz WTIDFDHMDDPUMW-PMACEKPBSA-N 0 3 480.723 2.611 20 0 JFADHN CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295263388 1063079288 /nfs/dbraw/zinc/07/92/88/1063079288.db2.gz WYUJHXFYQCLCJB-YSTOQKLRSA-N 0 3 467.680 2.900 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001287766627 1063090458 /nfs/dbraw/zinc/09/04/58/1063090458.db2.gz ARJCODKIVYRDMI-JOCHJYFZSA-N 0 3 475.659 2.944 20 0 JFADHN CC(C)O[C@@]1(c2nnc(N3CCC[C@@H](C)CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCOC1 ZINC001291112816 1063116227 /nfs/dbraw/zinc/11/62/27/1063116227.db2.gz RFRDMCWVVIABOU-UFPGJGBJSA-N 0 3 490.693 2.888 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CC[C@H](OCc3ccccc3)C2)n1CCN1CCC[C@H](C)C1 ZINC001291126957 1063158039 /nfs/dbraw/zinc/15/80/39/1063158039.db2.gz WHDRCDQTKLNQBF-UNMCSNQZSA-N 0 3 454.619 2.944 20 0 JFADHN CC(C)NC(=O)c1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1CCN1CCC[C@H](C)C1 ZINC001291126930 1063158054 /nfs/dbraw/zinc/15/80/54/1063158054.db2.gz VSALZEXFEQYQTR-UPTQXZAWSA-N 0 3 460.648 2.522 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCN1CCC[C@@H](C)C1 ZINC001291127114 1063160304 /nfs/dbraw/zinc/16/03/04/1063160304.db2.gz YXALBVUYHAZGNZ-IIBYNOLFSA-N 0 3 474.572 2.678 20 0 JFADHN C[C@H]1CCCN1c1nnc(CCOc2ccccc2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291134569 1063184590 /nfs/dbraw/zinc/18/45/90/1063184590.db2.gz KVSPENDRVIIPTK-UNMCSNQZSA-N 0 3 454.619 2.831 20 0 JFADHN C[C@H]1CCCN1c1nnc(COc2ccc(F)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291135820 1063188965 /nfs/dbraw/zinc/18/89/65/1063188965.db2.gz KPECHQIBXVEDCD-GHTZIAJQSA-N 0 3 458.582 2.928 20 0 JFADHN C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)N1CCC(C)CC1 ZINC001291140598 1063210376 /nfs/dbraw/zinc/21/03/76/1063210376.db2.gz AVDWFIXAIDFIJB-PMACEKPBSA-N 0 3 489.665 2.738 20 0 JFADHN CC(C)NC(=O)c1nnc(N(C)C[C@H]2COc3ccccc3O2)n1C[C@H](C)N1CCC(C)CC1 ZINC001291141698 1063216232 /nfs/dbraw/zinc/21/62/32/1063216232.db2.gz RKUXUCMITOIJRD-PMACEKPBSA-N 0 3 470.618 2.813 20 0 JFADHN C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCS(=O)CC1)N1CCC(C)CC1 ZINC001291144476 1063225511 /nfs/dbraw/zinc/22/55/11/1063225511.db2.gz OWUZJTZBOSZYBK-KRWDZBQOSA-N 0 3 451.587 2.836 20 0 JFADHN C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCS(=O)CC1)N1CCC(C)CC1 ZINC001291144477 1063225545 /nfs/dbraw/zinc/22/55/45/1063225545.db2.gz OWUZJTZBOSZYBK-QGZVFWFLSA-N 0 3 451.587 2.836 20 0 JFADHN C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)CC1 ZINC001295342636 1063270436 /nfs/dbraw/zinc/27/04/36/1063270436.db2.gz QESCPXZAACDSBS-JPYJTQIMSA-N 0 3 452.603 2.754 20 0 JFADHN CC1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCSC[C@H]2C)CC1 ZINC001291180392 1063272344 /nfs/dbraw/zinc/27/23/44/1063272344.db2.gz ASANVKKTVRLENW-MOPGFXCFSA-N 0 3 455.694 2.634 20 0 JFADHN C[C@H]1CN(C(C)(C)Cn2c(CC3CC3)nnc2N(C)CC(C)(C)CN2CCOCC2)C[C@H](C)O1 ZINC001291188104 1063300393 /nfs/dbraw/zinc/30/03/93/1063300393.db2.gz FNIJQIATYOFRKH-SFTDATJTSA-N 0 3 476.710 2.913 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001295367667 1063333099 /nfs/dbraw/zinc/33/30/99/1063333099.db2.gz ZFILHAWGLQKNPT-KKSFZXQISA-N 0 3 467.039 2.739 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001295379894 1063351751 /nfs/dbraw/zinc/35/17/51/1063351751.db2.gz NJNNDBLBJRJRQX-RDJZCZTQSA-N 0 3 455.575 2.825 20 0 JFADHN C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCCCC2)C[C@@H](C)O1 ZINC001291199472 1063353521 /nfs/dbraw/zinc/35/35/21/1063353521.db2.gz OBIPDCYMEUIIIC-QZTJIDSGSA-N 0 3 461.010 2.961 20 0 JFADHN C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H](C(F)(F)F)O1 ZINC001291201872 1063358028 /nfs/dbraw/zinc/35/80/28/1063358028.db2.gz CWVXGZIPNBKQRJ-BRWVUGGUSA-N 0 3 474.572 2.674 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001295386738 1063363612 /nfs/dbraw/zinc/36/36/12/1063363612.db2.gz WFAHZVAOMPLONT-NLFFAJNJSA-N 0 3 489.686 2.817 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1)c1ccsc1 ZINC001295390774 1063371391 /nfs/dbraw/zinc/37/13/91/1063371391.db2.gz AKPQZMUKOTXYGQ-SJLPKXTDSA-N 0 3 484.692 2.648 20 0 JFADHN CCN(CC)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSCC1)c1ccsc1 ZINC001295391018 1063372860 /nfs/dbraw/zinc/37/28/60/1063372860.db2.gz DALBWNPLEOWUNW-RDJZCZTQSA-N 0 3 472.706 2.586 20 0 JFADHN CCN(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(C(=O)NC)C1)c1ccsc1 ZINC001295403889 1063389093 /nfs/dbraw/zinc/38/90/93/1063389093.db2.gz GZJNHKSFDZJHKE-DVECYGJZSA-N 0 3 487.674 2.508 20 0 JFADHN CCN(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)OC)CC1)c1ccsc1 ZINC001295404611 1063390974 /nfs/dbraw/zinc/39/09/74/1063390974.db2.gz LLJRKAWRZSHIBB-FQEVSTJZSA-N 0 3 488.658 2.935 20 0 JFADHN CCN(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(C)C(=O)C1)c1ccsc1 ZINC001295405776 1063394496 /nfs/dbraw/zinc/39/44/96/1063394496.db2.gz IGQWOYYGXSCTPC-FQEVSTJZSA-N 0 3 453.616 2.687 20 0 JFADHN CCN(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccsc1 ZINC001295407562 1063399054 /nfs/dbraw/zinc/39/90/54/1063399054.db2.gz WQKGMOPHDPUQMS-RTBURBONSA-N 0 3 462.664 2.963 20 0 JFADHN CC(C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001291215510 1063427216 /nfs/dbraw/zinc/42/72/16/1063427216.db2.gz QJHCHTXTXZPCMZ-UTKZUKDTSA-N 0 3 461.632 2.693 20 0 JFADHN CCN(CC)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(C(C)(C)C)CC2)cn1 ZINC001295419360 1063428468 /nfs/dbraw/zinc/42/84/68/1063428468.db2.gz OALXYPCJJDNUAS-UHFFFAOYSA-N 0 3 468.650 2.611 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCO2)CC1 ZINC001295479272 1063487607 /nfs/dbraw/zinc/48/76/07/1063487607.db2.gz CLSKQWPQPWWCOD-VQTJNVASSA-N 0 3 488.608 2.727 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)O)CC1 ZINC001295479737 1063488439 /nfs/dbraw/zinc/48/84/39/1063488439.db2.gz IKKOXSDCWFSGTM-GOSISDBHSA-N 0 3 493.052 2.833 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2C[C@@H](C)OC)CC1 ZINC001295481010 1063491529 /nfs/dbraw/zinc/49/15/29/1063491529.db2.gz RLUUXWYBIGNUPK-HXUWFJFHSA-N 0 3 479.629 2.827 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCN2CCc3sccc3C2)CC1 ZINC001295480535 1063491678 /nfs/dbraw/zinc/49/16/78/1063491678.db2.gz NTRBTPTXNYIJBL-UHFFFAOYSA-N 0 3 487.718 2.686 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCCS2)CC1 ZINC001295482123 1063495629 /nfs/dbraw/zinc/49/56/29/1063495629.db2.gz DKNVSMTWFLERHV-FQEVSTJZSA-N 0 3 457.648 2.616 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C)cc2OC)CC1 ZINC001295482318 1063499724 /nfs/dbraw/zinc/49/97/24/1063499724.db2.gz JZVAGPBTCYTQRG-UHFFFAOYSA-N 0 3 477.613 2.696 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2c(C)noc2C)CC1 ZINC001295482344 1063499795 /nfs/dbraw/zinc/49/97/95/1063499795.db2.gz LBLZZYXZQKRKLR-UHFFFAOYSA-N 0 3 495.628 2.792 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001295482408 1063501128 /nfs/dbraw/zinc/50/11/28/1063501128.db2.gz NBJFCOGRFZNINU-ZJSXRUAMSA-N 0 3 483.661 2.782 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001295482557 1063502172 /nfs/dbraw/zinc/50/21/72/1063502172.db2.gz SXZPWKCSEYPCMO-JOCHJYFZSA-N 0 3 484.645 2.759 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCc2cn[nH]c2)CC1 ZINC001295482630 1063503360 /nfs/dbraw/zinc/50/33/60/1063503360.db2.gz VPFVASPIAIIXOG-UHFFFAOYSA-N 0 3 471.009 2.555 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CCCn2nc(C)cc2C)CC1 ZINC001295482732 1063505211 /nfs/dbraw/zinc/50/52/11/1063505211.db2.gz YVLXPFMDZSOKIL-UHFFFAOYSA-N 0 3 478.645 2.839 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001295483037 1063506346 /nfs/dbraw/zinc/50/63/46/1063506346.db2.gz AXDNZLREUOACGA-RBUKOAKNSA-N 0 3 468.593 2.598 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](OC)c2ccccc2)CC1 ZINC001295484717 1063512743 /nfs/dbraw/zinc/51/27/43/1063512743.db2.gz QPHPITYQUYWXBC-PKTZIBPZSA-N 0 3 484.645 2.898 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CCc2nc(C)c(C)s2)CC1 ZINC001295490683 1063518033 /nfs/dbraw/zinc/51/80/33/1063518033.db2.gz DYRAAMMTWIYMAV-UHFFFAOYSA-N 0 3 496.685 2.570 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC2(C(C)C)CC2)CC1 ZINC001295490719 1063518402 /nfs/dbraw/zinc/51/84/02/1063518402.db2.gz FYDGKDMHMNQONT-UHFFFAOYSA-N 0 3 453.635 2.691 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCCS2)CC1 ZINC001295490955 1063519893 /nfs/dbraw/zinc/51/98/93/1063519893.db2.gz KUMRPKFAGWZTGJ-NRFANRHFSA-N 0 3 471.675 2.540 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCS2)CC1 ZINC001295491586 1063523580 /nfs/dbraw/zinc/52/35/80/1063523580.db2.gz VIUMDSBKHOQZTK-IBGZPJMESA-N 0 3 477.704 2.520 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@H](C)c2c(C)noc2C)CC1 ZINC001295491616 1063523706 /nfs/dbraw/zinc/52/37/06/1063523706.db2.gz WFABEYYLSUCLBA-SFHVURJKSA-N 0 3 459.639 2.876 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2Cl)CC1 ZINC001295491893 1063524754 /nfs/dbraw/zinc/52/47/54/1063524754.db2.gz YWOFAJKWFDKOKT-UHFFFAOYSA-N 0 3 499.063 2.832 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2C[C@@H]2C)CC1 ZINC001295491886 1063524868 /nfs/dbraw/zinc/52/48/68/1063524868.db2.gz YMCBDBMMXICVLD-SFTDATJTSA-N 0 3 454.619 2.812 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001295553098 1063586017 /nfs/dbraw/zinc/58/60/17/1063586017.db2.gz FJHPMLZHJFIPTD-NVXWUHKLSA-N 0 3 470.039 2.961 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001295559219 1063591981 /nfs/dbraw/zinc/59/19/81/1063591981.db2.gz DNBMDRVFLINRPG-DENIHFKCSA-N 0 3 485.658 2.875 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001295563496 1063597063 /nfs/dbraw/zinc/59/70/63/1063597063.db2.gz MLSHATXGUQVSRD-LQWHRVPQSA-N 0 3 477.631 2.534 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1F ZINC001295566695 1063601032 /nfs/dbraw/zinc/60/10/32/1063601032.db2.gz UXCATLOXUHLBOI-MJGOQNOKSA-N 0 3 451.612 2.729 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001295567249 1063601792 /nfs/dbraw/zinc/60/17/92/1063601792.db2.gz YUGDSEBOUWKCIF-BZUAXINKSA-N 0 3 451.559 2.689 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001295572101 1063609130 /nfs/dbraw/zinc/60/91/30/1063609130.db2.gz FYYOAQRKEQULBW-NCXUSEDFSA-N 0 3 455.669 2.550 20 0 JFADHN C[C@@H]1N(c2nnc(CCOc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)CCOC1(C)C ZINC001291319905 1063758323 /nfs/dbraw/zinc/75/83/23/1063758323.db2.gz IOOCSPQBJVTCCT-NRFANRHFSA-N 0 3 470.662 2.929 20 0 JFADHN CCN(CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC2CC2)CC1)S(C)(=O)=O ZINC001295805283 1063794622 /nfs/dbraw/zinc/79/46/22/1063794622.db2.gz BKQFROMFESTIRS-UHFFFAOYSA-N 0 3 499.056 2.941 20 0 JFADHN CCC(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001291340667 1063818034 /nfs/dbraw/zinc/81/80/34/1063818034.db2.gz OIBLTXFCESVBFM-FQEVSTJZSA-N 0 3 466.565 2.501 20 0 JFADHN CCN(CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001295820281 1063824761 /nfs/dbraw/zinc/82/47/61/1063824761.db2.gz AMEZMVGDMGFIKL-UHFFFAOYSA-N 0 3 465.643 2.594 20 0 JFADHN CCN(CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001295824893 1063832943 /nfs/dbraw/zinc/83/29/43/1063832943.db2.gz KHIFVWAEGIZKFR-OAQYLSRUSA-N 0 3 479.647 2.706 20 0 JFADHN CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001291344972 1063835719 /nfs/dbraw/zinc/83/57/19/1063835719.db2.gz NTMGBXBYIBASCR-REWPJTCUSA-N 0 3 485.652 2.529 20 0 JFADHN CCN(CCn1c(-c2ccc(Br)cc2)nnc1N1CCS(=O)(=O)CC1)C(C)C ZINC001295827131 1063836912 /nfs/dbraw/zinc/83/69/12/1063836912.db2.gz LWBYGEFXNHFDBE-UHFFFAOYSA-N 0 3 470.437 2.673 20 0 JFADHN CCC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001291345756 1063841454 /nfs/dbraw/zinc/84/14/54/1063841454.db2.gz CYXSOXSMISOHOV-XZOQPEGZSA-N 0 3 495.672 2.761 20 0 JFADHN CCN(CCn1c(-c2ccccc2OC)nnc1N1CCC(C(N)=O)CC1)CCC(F)(F)F ZINC001295835315 1063851945 /nfs/dbraw/zinc/85/19/45/1063851945.db2.gz BLXAABSQUCIVQC-UHFFFAOYSA-N 0 3 468.524 2.930 20 0 JFADHN CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001291350010 1063856671 /nfs/dbraw/zinc/85/66/71/1063856671.db2.gz FNIASZSJBCPAMN-LJQANCHMSA-N 0 3 475.659 2.943 20 0 JFADHN CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001291350009 1063856790 /nfs/dbraw/zinc/85/67/90/1063856790.db2.gz FNIASZSJBCPAMN-IBGZPJMESA-N 0 3 475.659 2.943 20 0 JFADHN CCN(CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1)CCC(F)(F)F ZINC001295839069 1063857891 /nfs/dbraw/zinc/85/78/91/1063857891.db2.gz PEMLKKCFQPAOIX-MRXNPFEDSA-N 0 3 465.528 2.680 20 0 JFADHN CCN(CCn1c(-c2cnccn2)nnc1N1CC[C@@H](c2cnn(C)c2)C1)CCC(F)(F)F ZINC001295841474 1063860354 /nfs/dbraw/zinc/86/03/54/1063860354.db2.gz HAJZLJWBTVMXPH-MRXNPFEDSA-N 0 3 463.512 2.737 20 0 JFADHN CCN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccs2)CC1)CCC(F)(F)F ZINC001295844215 1063863456 /nfs/dbraw/zinc/86/34/56/1063863456.db2.gz AJUUMSGJUJPJEN-GOSISDBHSA-N 0 3 499.607 2.887 20 0 JFADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C)c1C)C(C)C ZINC001295851638 1063876291 /nfs/dbraw/zinc/87/62/91/1063876291.db2.gz GCCOYDNAQAYKDB-HXUWFJFHSA-N 0 3 490.674 2.602 20 0 JFADHN CCN(CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)C(C)C ZINC001295855561 1063885305 /nfs/dbraw/zinc/88/53/05/1063885305.db2.gz RFOCUERIFTUAQS-HSZRJFAPSA-N 0 3 481.613 2.892 20 0 JFADHN CC[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001291379174 1063913771 /nfs/dbraw/zinc/91/37/71/1063913771.db2.gz VCRZKUBNVIGTBE-SQJMNOBHSA-N 0 3 474.625 2.762 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc(Cc2ccncc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 ZINC001295884624 1063931035 /nfs/dbraw/zinc/93/10/35/1063931035.db2.gz ABWIFEBHWBEGSJ-CVDCTZTESA-N 0 3 462.664 2.645 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc([C@H]2COc3ccccc3O2)n1CC1(N(C)C)CCCC1 ZINC001295887595 1063935823 /nfs/dbraw/zinc/93/58/23/1063935823.db2.gz WCHJLAJQINWTPF-HXUWFJFHSA-N 0 3 477.631 2.536 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(N(C)C)CCCC1 ZINC001295887594 1063935843 /nfs/dbraw/zinc/93/58/43/1063935843.db2.gz WCHJLAJQINWTPF-FQEVSTJZSA-N 0 3 477.631 2.536 20 0 JFADHN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001291389533 1063939659 /nfs/dbraw/zinc/93/96/59/1063939659.db2.gz MRVFQDDQZHRKMO-CLOONOSVSA-N 0 3 474.625 2.872 20 0 JFADHN CC[C@@H](C)[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001291403112 1063967353 /nfs/dbraw/zinc/96/73/53/1063967353.db2.gz GTBGQAJBUHNNAN-QLWBXOBMSA-N 0 3 473.666 2.626 20 0 JFADHN CC[C@@H](C)[C@@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001291403358 1063968579 /nfs/dbraw/zinc/96/85/79/1063968579.db2.gz JZFRESCWWXOAIE-AMGIVPHBSA-N 0 3 498.672 2.707 20 0 JFADHN CC[C@H](C)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001291434714 1064015535 /nfs/dbraw/zinc/01/55/35/1064015535.db2.gz RZPHXKNGNXTAIL-SFTDATJTSA-N 0 3 469.682 2.713 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001295975142 1064018379 /nfs/dbraw/zinc/01/83/79/1064018379.db2.gz AMSYQGAKMGTKAR-MSOLQXFVSA-N 0 3 490.052 2.695 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCCOC)C[C@@H]1C ZINC001295975400 1064018692 /nfs/dbraw/zinc/01/86/92/1064018692.db2.gz CULRYWZELKMLSI-RBUKOAKNSA-N 0 3 453.591 2.917 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN2CCOCC2)C[C@H]1C ZINC001295975477 1064019691 /nfs/dbraw/zinc/01/96/91/1064019691.db2.gz DJYREEHEWZOTMJ-WOJBJXKFSA-N 0 3 472.634 2.604 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(Br)c3)n2Cc2nncn2C)C[C@H]1C ZINC001295976072 1064021610 /nfs/dbraw/zinc/02/16/10/1064021610.db2.gz CFQPPBFATWELGK-HUUCEWRRSA-N 0 3 459.396 2.803 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2c(C)nn(C)c2C)C[C@@H]1C ZINC001295977253 1064022944 /nfs/dbraw/zinc/02/29/44/1064022944.db2.gz NXVULBPQXDITLG-IRXDYDNUSA-N 0 3 485.658 2.666 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001295976840 1064022969 /nfs/dbraw/zinc/02/29/69/1064022969.db2.gz LOXPUHPNZJBXME-UONOGXRCSA-N 0 3 472.487 2.847 20 0 JFADHN CC[C@H](C)c1nnc(N(C)CCN2CCOCC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001291457308 1064023347 /nfs/dbraw/zinc/02/33/47/1064023347.db2.gz IWPROCPGDVXSSU-LADGPHEKSA-N 0 3 470.662 2.851 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CSCCS2)C[C@@H]1C ZINC001295977884 1064024416 /nfs/dbraw/zinc/02/44/16/1064024416.db2.gz LYIMZWPFTCGQLR-ULQDDVLXSA-N 0 3 461.661 2.693 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)N(C)C)C[C@@H]1C ZINC001295977876 1064025157 /nfs/dbraw/zinc/02/51/57/1064025157.db2.gz QHKGHFWRVGQICH-LSDHHAIUSA-N 0 3 466.428 2.823 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(C)(C)O)C[C@H]1C ZINC001295978751 1064026051 /nfs/dbraw/zinc/02/60/51/1064026051.db2.gz LAFSFCZCLRCMLX-IAGOWNOFSA-N 0 3 477.679 2.627 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccn(C)n2)C[C@@H]1C ZINC001295978695 1064026121 /nfs/dbraw/zinc/02/61/21/1064026121.db2.gz SOTOZSSCSKPMMB-DLBZAZTESA-N 0 3 469.590 2.672 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(C)(C)O)C[C@H]1C ZINC001295978755 1064026573 /nfs/dbraw/zinc/02/65/73/1064026573.db2.gz LAFSFCZCLRCMLX-SJORKVTESA-N 0 3 477.679 2.627 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1cnccc1OC ZINC001291470123 1064030071 /nfs/dbraw/zinc/03/00/71/1064030071.db2.gz LTLORUPFHLBZCT-CNNODRBYSA-N 0 3 469.634 2.622 20 0 JFADHN CCN(CCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)S(C)(=O)=O ZINC001295980394 1064030216 /nfs/dbraw/zinc/03/02/16/1064030216.db2.gz YTDWOUFQPHQFOR-MOPGFXCFSA-N 0 3 478.663 2.544 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cccnc2)C[C@@H]1C ZINC001295980433 1064030668 /nfs/dbraw/zinc/03/06/68/1064030668.db2.gz ZAWZZFUQHBEIFT-OALUTQOASA-N 0 3 468.627 2.905 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1ncccc1C ZINC001291470311 1064031093 /nfs/dbraw/zinc/03/10/93/1064031093.db2.gz OETYNTBNONFPBI-LEDOBFOHSA-N 0 3 453.635 2.922 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCOC[C@H]1CCCO1 ZINC001291471090 1064033493 /nfs/dbraw/zinc/03/34/93/1064033493.db2.gz YVTYJBLXKIVZCC-ZQRMPTRQSA-N 0 3 490.693 2.756 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(-c3ccccc3)no2)C[C@H]1C ZINC001295982542 1064035609 /nfs/dbraw/zinc/03/56/09/1064035609.db2.gz URHFAKFQXFHAJW-SQNIBIBYSA-N 0 3 487.630 2.511 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2nncn2C)C[C@@H]1C ZINC001295983087 1064037585 /nfs/dbraw/zinc/03/75/85/1064037585.db2.gz HFXAIHJCNMPSDI-ROUUACIJSA-N 0 3 468.606 2.837 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001295983171 1064038027 /nfs/dbraw/zinc/03/80/27/1064038027.db2.gz YOMJFHCIJOADGG-VABKMULXSA-N 0 3 496.704 2.546 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001295983318 1064039010 /nfs/dbraw/zinc/03/90/10/1064039010.db2.gz IAIDNTRJHGASEQ-FIKGOQFSSA-N 0 3 470.618 2.796 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCCn2ccnn2)C[C@H]1C ZINC001295983906 1064040286 /nfs/dbraw/zinc/04/02/86/1064040286.db2.gz XQJKZKGGHNPXLG-CVEARBPZSA-N 0 3 476.427 2.647 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCCn2ccnn2)C[C@@H]1C ZINC001295983907 1064040310 /nfs/dbraw/zinc/04/03/10/1064040310.db2.gz XQJKZKGGHNPXLG-HOTGVXAUSA-N 0 3 476.427 2.647 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)C[C@@H]1C ZINC001295984099 1064041337 /nfs/dbraw/zinc/04/13/37/1064041337.db2.gz LCOFTOFIMHDHFX-IRXDYDNUSA-N 0 3 458.998 2.692 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc4cccnc43)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001295984429 1064041744 /nfs/dbraw/zinc/04/17/44/1064041744.db2.gz MRONBGSVJFPIOP-CVEARBPZSA-N 0 3 457.529 2.794 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001295984556 1064042515 /nfs/dbraw/zinc/04/25/15/1064042515.db2.gz ZUNHNORDWFWMRD-YESZJQIVSA-N 0 3 485.054 2.540 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCOCCCO)C[C@@H]1C ZINC001295987173 1064043391 /nfs/dbraw/zinc/04/33/91/1064043391.db2.gz ZAMLHJRDOYPJRI-IRXDYDNUSA-N 0 3 451.999 2.925 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCOCCCO)C[C@H]1C ZINC001295987174 1064043581 /nfs/dbraw/zinc/04/35/81/1064043581.db2.gz ZAMLHJRDOYPJRI-SJORKVTESA-N 0 3 451.999 2.925 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3noc4c3COCC4)n2CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001295991198 1064045847 /nfs/dbraw/zinc/04/58/47/1064045847.db2.gz AKKGORHZPLXMSJ-IAGOWNOFSA-N 0 3 489.621 2.840 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CCSCCCO)C[C@@H]1C ZINC001295996131 1064051901 /nfs/dbraw/zinc/05/19/01/1064051901.db2.gz MKTXNJGKWCMDDK-OALUTQOASA-N 0 3 499.685 2.709 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CCSCCCO)C[C@@H]1C ZINC001295996133 1064052442 /nfs/dbraw/zinc/05/24/42/1064052442.db2.gz MKTXNJGKWCMDDK-RBUKOAKNSA-N 0 3 499.685 2.709 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccc(COCCOC)cc2)C[C@@H]1C ZINC001295998207 1064055183 /nfs/dbraw/zinc/05/51/83/1064055183.db2.gz TYVOJAYHSXMIKY-VQTJNVASSA-N 0 3 465.602 2.865 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cc(F)c(F)c2F)C[C@@H]1C ZINC001295999713 1064056544 /nfs/dbraw/zinc/05/65/44/1064056544.db2.gz XEVVWAFJUDHSFP-MKBNYLNASA-N 0 3 454.472 2.753 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@@H]1C ZINC001296002073 1064057436 /nfs/dbraw/zinc/05/74/36/1064057436.db2.gz KKXLXDSGDFOQBM-DLBZAZTESA-N 0 3 468.005 2.983 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@@H]1C ZINC001296002075 1064057551 /nfs/dbraw/zinc/05/75/51/1064057551.db2.gz KKXLXDSGDFOQBM-IRXDYDNUSA-N 0 3 468.005 2.983 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CC2(C(=O)N(C)C)CCCC2)C[C@H]1C ZINC001296001200 1064057607 /nfs/dbraw/zinc/05/76/07/1064057607.db2.gz GIDYNTAKJWDSMI-WOJBJXKFSA-N 0 3 453.635 2.831 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCc2ccco2)C[C@H]1C ZINC001296003207 1064058650 /nfs/dbraw/zinc/05/86/50/1064058650.db2.gz SBEYPDWICQOKDO-QZTJIDSGSA-N 0 3 454.550 2.836 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CCn2cc(Br)cn2)C[C@H]1C ZINC001296004348 1064059755 /nfs/dbraw/zinc/05/97/55/1064059755.db2.gz YVIKHAXLVWCHPG-SJORKVTESA-N 0 3 473.423 2.842 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccco2)N(C)C)C[C@@H]1C ZINC001296008760 1064061877 /nfs/dbraw/zinc/06/18/77/1064061877.db2.gz BJQUSAMNUZENOB-ACRUOGEOSA-N 0 3 454.623 2.955 20 0 JFADHN CC[C@@H](C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1Cc1ncccc1N(C)C ZINC001291510521 1064062365 /nfs/dbraw/zinc/06/23/65/1064062365.db2.gz XLQUUHJCAXIGBU-RTWAWAEBSA-N 0 3 454.667 2.906 20 0 JFADHN CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCCNC(=O)c1cccc(O)c1 ZINC001291510506 1064062401 /nfs/dbraw/zinc/06/24/01/1064062401.db2.gz XFRQMYRLLHLHHU-JTHBVZDNSA-N 0 3 497.688 2.922 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC(NC(=O)COC)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001291510948 1064062705 /nfs/dbraw/zinc/06/27/05/1064062705.db2.gz HHGLTVAATMPBOK-LAUBAEHRSA-N 0 3 460.598 2.965 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001296008963 1064063524 /nfs/dbraw/zinc/06/35/24/1064063524.db2.gz COPDJVWIPMDYLX-ROUUACIJSA-N 0 3 464.561 2.774 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCN(C(C)=O)C2)C[C@@H]1C ZINC001296009315 1064063805 /nfs/dbraw/zinc/06/38/05/1064063805.db2.gz JRJJUDHCHHTXOL-ZWOKBUDYSA-N 0 3 459.664 2.811 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)c(OC)c2)C[C@H]1C ZINC001296009431 1064064760 /nfs/dbraw/zinc/06/47/60/1064064760.db2.gz GEUHWJUYQVNXDX-RTBURBONSA-N 0 3 470.618 2.579 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)N2CCOCC2)C[C@@H]1C ZINC001296009659 1064065897 /nfs/dbraw/zinc/06/58/97/1064065897.db2.gz IBWHAZZNPDLWJA-SFTDATJTSA-N 0 3 486.661 2.895 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)N2CCOCC2)C[C@H]1C ZINC001296009658 1064065952 /nfs/dbraw/zinc/06/59/52/1064065952.db2.gz IBWHAZZNPDLWJA-RTWAWAEBSA-N 0 3 486.661 2.895 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCn2ccnn2)C[C@@H]1C ZINC001296010277 1064068195 /nfs/dbraw/zinc/06/81/95/1064068195.db2.gz AZXKJZCIWAKMOT-ZGXWSNOMSA-N 0 3 487.653 2.650 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)NCC2CC2)C[C@H]1C ZINC001296010381 1064068570 /nfs/dbraw/zinc/06/85/70/1064068570.db2.gz PUHVGICAJYMMSB-RTBURBONSA-N 0 3 454.619 2.517 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H](C)N2CCOCC2)C[C@@H]1C ZINC001296010706 1064069067 /nfs/dbraw/zinc/06/90/67/1064069067.db2.gz CTHCQUOVWYGQQT-ACRUOGEOSA-N 0 3 472.634 2.505 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCC(=O)N(C)C)c2)C[C@@H]1C ZINC001296012325 1064072769 /nfs/dbraw/zinc/07/27/69/1064072769.db2.gz JTXVYQPSYNTKPF-NNMXDRDESA-N 0 3 470.618 2.564 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296013580 1064074095 /nfs/dbraw/zinc/07/40/95/1064074095.db2.gz OEBRMOIGSFVZGX-FHEJEKGWSA-N 0 3 492.709 2.809 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCSC2)C[C@H]1C ZINC001296015319 1064077744 /nfs/dbraw/zinc/07/77/44/1064077744.db2.gz RVEKQQCDVVHUMX-STSQHVNTSA-N 0 3 461.632 2.653 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)c2ccn[nH]2)C[C@@H]1C ZINC001296017270 1064078685 /nfs/dbraw/zinc/07/86/85/1064078685.db2.gz XKYXMVAENAHETL-OALUTQOASA-N 0 3 482.658 2.951 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001291539733 1064081621 /nfs/dbraw/zinc/08/16/21/1064081621.db2.gz IJQHJWBAQWPOAW-DBVUQKKJSA-N 0 3 483.596 2.766 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1cc(F)cc(OC)c1 ZINC001291578186 1064102531 /nfs/dbraw/zinc/10/25/31/1064102531.db2.gz CHSWLAKSHHGKLQ-LAUBAEHRSA-N 0 3 458.582 2.730 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCc1ccc(OC)c(F)c1 ZINC001291578229 1064103232 /nfs/dbraw/zinc/10/32/32/1064103232.db2.gz CNOFNSPRICAOEQ-GHTZIAJQSA-N 0 3 472.609 2.925 20 0 JFADHN CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001296055220 1064116732 /nfs/dbraw/zinc/11/67/32/1064116732.db2.gz FJHLQFRYVZTOCB-QZTJIDSGSA-N 0 3 484.605 2.513 20 0 JFADHN CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC001296056313 1064117277 /nfs/dbraw/zinc/11/72/77/1064117277.db2.gz KJNYNQLPHLAOPK-FGZHOGPDSA-N 0 3 472.609 2.990 20 0 JFADHN CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001296057146 1064118571 /nfs/dbraw/zinc/11/85/71/1064118571.db2.gz RWVRQRZKSVAPEZ-RBUKOAKNSA-N 0 3 477.654 2.642 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291592311 1064127415 /nfs/dbraw/zinc/12/74/15/1064127415.db2.gz LMSWDYIPZHQJOT-NHCUHLMSSA-N 0 3 491.681 2.649 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291592310 1064127442 /nfs/dbraw/zinc/12/74/42/1064127442.db2.gz LMSWDYIPZHQJOT-LEWJYISDSA-N 0 3 491.681 2.649 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC001296074617 1064140852 /nfs/dbraw/zinc/14/08/52/1064140852.db2.gz LSQPWSFUWTXTGX-IFMALSPDSA-N 0 3 483.661 2.947 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC001296074622 1064140884 /nfs/dbraw/zinc/14/08/84/1064140884.db2.gz LSQPWSFUWTXTGX-UNMCSNQZSA-N 0 3 483.661 2.947 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001296075711 1064143292 /nfs/dbraw/zinc/14/32/92/1064143292.db2.gz QLEVWUYIKMYERI-VQTJNVASSA-N 0 3 473.666 2.520 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](COc2ccccc2)C1 ZINC001296079410 1064146515 /nfs/dbraw/zinc/14/65/15/1064146515.db2.gz FXFREUPRBWPKSY-RBBKRZOGSA-N 0 3 470.618 2.575 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001296080894 1064147546 /nfs/dbraw/zinc/14/75/46/1064147546.db2.gz OFIVXMUDWUKTTD-CTNGQTDRSA-N 0 3 467.618 2.689 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001296080911 1064148213 /nfs/dbraw/zinc/14/82/13/1064148213.db2.gz OFIVXMUDWUKTTD-TZIWHRDSSA-N 0 3 467.618 2.689 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(c3ccc(F)cn3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001291610790 1064148341 /nfs/dbraw/zinc/14/83/41/1064148341.db2.gz PRSWLYBBFOGAQQ-WOJBJXKFSA-N 0 3 458.630 2.678 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CCN1CC=CCC1 ZINC001291628336 1064171150 /nfs/dbraw/zinc/17/11/50/1064171150.db2.gz BAQBJWOMJABECM-KOENEWCDSA-N 0 3 471.694 2.870 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1C[C@@H](C)CN1CCOCC1 ZINC001291632445 1064180661 /nfs/dbraw/zinc/18/06/61/1064180661.db2.gz SYCNOEGJFXAXBK-FIXSFTCYSA-N 0 3 470.662 2.616 20 0 JFADHN CCN1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CC=CCC2)CC1=O ZINC001296103790 1064182289 /nfs/dbraw/zinc/18/22/89/1064182289.db2.gz XONBIKYKAKVCMU-UHFFFAOYSA-N 0 3 460.529 2.867 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001291638076 1064185161 /nfs/dbraw/zinc/18/51/61/1064185161.db2.gz FDEVAPASJDTNEQ-HXUWFJFHSA-N 0 3 460.667 2.989 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001291637699 1064185174 /nfs/dbraw/zinc/18/51/74/1064185174.db2.gz BRBBHICQGQNWAE-ICSRJNTNSA-N 0 3 488.599 2.603 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(Cc3cscn3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291639039 1064186947 /nfs/dbraw/zinc/18/69/47/1064186947.db2.gz OVGAZYWHTOASTP-FPOVZHCZSA-N 0 3 488.706 2.513 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(CCOC)[C@H](C)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 ZINC001291642586 1064191774 /nfs/dbraw/zinc/19/17/74/1064191774.db2.gz LPUHSATYTUDIJA-FCHUYYIVSA-N 0 3 484.693 2.534 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@H](c1ccco1)N(CC)CC ZINC001291643902 1064196469 /nfs/dbraw/zinc/19/64/69/1064196469.db2.gz MABMNHDHBGAFPL-CEXWTWQISA-N 0 3 466.652 2.938 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC2CCOCC2)CC1 ZINC001296120122 1064208257 /nfs/dbraw/zinc/20/82/57/1064208257.db2.gz FEBMFLLGEFBZDT-QGZVFWFLSA-N 0 3 494.482 2.925 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001296121197 1064211835 /nfs/dbraw/zinc/21/18/35/1064211835.db2.gz NBSKBDSOPWGFOO-XOYNAWAESA-N 0 3 497.688 2.863 20 0 JFADHN CC[C@H](C)c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CCCN1CCN(CC)CC1 ZINC001291672344 1064214000 /nfs/dbraw/zinc/21/40/00/1064214000.db2.gz QCEZFUGHMUQADB-LEWJYISDSA-N 0 3 493.697 2.549 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296122308 1064214531 /nfs/dbraw/zinc/21/45/31/1064214531.db2.gz VMWFNQNCXCPLKO-JBPLPALLSA-N 0 3 474.625 2.790 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001296124157 1064216597 /nfs/dbraw/zinc/21/65/97/1064216597.db2.gz FRBGFPTUDYEOBB-QGZVFWFLSA-N 0 3 492.043 2.726 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2cc(OC)cc(OC)c2)CC1 ZINC001296124452 1064217012 /nfs/dbraw/zinc/21/70/12/1064217012.db2.gz HLFGKTCPLZKQHB-FQEVSTJZSA-N 0 3 481.645 2.963 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001296124422 1064217056 /nfs/dbraw/zinc/21/70/56/1064217056.db2.gz HDFASARDUXAAPG-SFHVURJKSA-N 0 3 492.068 2.594 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001296124846 1064217561 /nfs/dbraw/zinc/21/75/61/1064217561.db2.gz JWZSWEDJZCBPBG-GOSISDBHSA-N 0 3 474.053 2.587 20 0 JFADHN CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC001291686900 1064217808 /nfs/dbraw/zinc/21/78/08/1064217808.db2.gz VIMBCEASXXZTBH-XMMPIXPASA-N 0 3 457.663 2.778 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N(C)CCCC(=O)NC)CC1 ZINC001296125203 1064218267 /nfs/dbraw/zinc/21/82/67/1064218267.db2.gz LIGBTGHDQMYMOH-SFHVURJKSA-N 0 3 462.042 2.587 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296125180 1064218397 /nfs/dbraw/zinc/21/83/97/1064218397.db2.gz LDWIREGLSNHEEC-ROUUACIJSA-N 0 3 463.026 2.858 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@H](OCCOC)C2)CC1 ZINC001296125560 1064219152 /nfs/dbraw/zinc/21/91/52/1064219152.db2.gz MSTKVHZNGKERFY-KNQAVFIVSA-N 0 3 477.053 2.866 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCOC[C@H]2C)CC1 ZINC001296126025 1064219584 /nfs/dbraw/zinc/21/95/84/1064219584.db2.gz OQXWXVGXPSJGIJ-ZWKOTPCHSA-N 0 3 477.451 2.959 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001296125580 1064219673 /nfs/dbraw/zinc/21/96/73/1064219673.db2.gz MYBIKTKXAZAAOL-SFHVURJKSA-N 0 3 474.053 2.587 20 0 JFADHN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC001291695984 1064220101 /nfs/dbraw/zinc/22/01/01/1064220101.db2.gz NITJOVYAJLSUQX-HFZDXXHNSA-N 0 3 472.630 2.731 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296126849 1064220769 /nfs/dbraw/zinc/22/07/69/1064220769.db2.gz RYJIXMIUSMDOAF-MZKRTTBSSA-N 0 3 456.635 2.841 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001296127359 1064221697 /nfs/dbraw/zinc/22/16/97/1064221697.db2.gz UXZYBVLBDKKSBI-DCFHFQCYSA-N 0 3 481.689 2.970 20 0 JFADHN CC[C@@H](C)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCN(C)C(C)(C)C1 ZINC001291704665 1064222355 /nfs/dbraw/zinc/22/23/55/1064222355.db2.gz OBVFUTSISIODEQ-LJQANCHMSA-N 0 3 476.691 2.857 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CCc2ccccc2OC)CC1 ZINC001296129849 1064223165 /nfs/dbraw/zinc/22/31/65/1064223165.db2.gz BWUFLCTXADHCBB-FQEVSTJZSA-N 0 3 451.619 2.987 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296130785 1064224195 /nfs/dbraw/zinc/22/41/95/1064224195.db2.gz FVWILAQCGXLBPA-ACRUOGEOSA-N 0 3 491.681 2.649 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296131768 1064226858 /nfs/dbraw/zinc/22/68/58/1064226858.db2.gz MYXJNUWHZLZCOE-LJQANCHMSA-N 0 3 473.632 2.967 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001296131753 1064226918 /nfs/dbraw/zinc/22/69/18/1064226918.db2.gz MVRRXGZOIZGCRM-CLOONOSVSA-N 0 3 488.080 2.511 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001296131798 1064226961 /nfs/dbraw/zinc/22/69/61/1064226961.db2.gz NKZGRKZVXNHHRN-ICSRJNTNSA-N 0 3 461.680 2.523 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296132029 1064227877 /nfs/dbraw/zinc/22/78/77/1064227877.db2.gz QCNAZZJVARMFKQ-FXAWDEMLSA-N 0 3 484.542 2.802 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296132039 1064228500 /nfs/dbraw/zinc/22/85/00/1064228500.db2.gz QGAYBGIDIMMISS-NRFANRHFSA-N 0 3 475.632 2.590 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296132718 1064231741 /nfs/dbraw/zinc/23/17/41/1064231741.db2.gz VJQQNNYHRYXTOU-OAQYLSRUSA-N 0 3 463.630 2.935 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001296132871 1064232173 /nfs/dbraw/zinc/23/21/73/1064232173.db2.gz XDFYJIYBJAKCGP-GUDVDZBRSA-N 0 3 462.589 2.787 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296132929 1064232268 /nfs/dbraw/zinc/23/22/68/1064232268.db2.gz FABSAUUGUYIILX-VSKRKVRLSA-N 0 3 456.635 2.805 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001296132931 1064232292 /nfs/dbraw/zinc/23/22/92/1064232292.db2.gz FABSAUUGUYIILX-YPAWHYETSA-N 0 3 456.635 2.805 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001296133233 1064233217 /nfs/dbraw/zinc/23/32/17/1064233217.db2.gz HNYIPSJOPUQLFA-NRFANRHFSA-N 0 3 499.729 2.997 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(N(C)Cc3ccc(S(C)(=O)=O)cc3)nnc2C(C)(C)C)CC1 ZINC001296133610 1064234337 /nfs/dbraw/zinc/23/43/37/1064234337.db2.gz JRIRCMOFBUVZOW-LJQANCHMSA-N 0 3 476.691 2.642 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001296134431 1064236275 /nfs/dbraw/zinc/23/62/75/1064236275.db2.gz OZZDUPWEXLIORH-YADHBBJMSA-N 0 3 470.662 2.929 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Nc3ccn(C)n3)nnc2-c2cc(Br)c[nH]2)CC1 ZINC001296134762 1064236671 /nfs/dbraw/zinc/23/66/71/1064236671.db2.gz PYSORDIYKBXUBZ-AWEZNQCLSA-N 0 3 462.400 2.539 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296134836 1064237653 /nfs/dbraw/zinc/23/76/53/1064237653.db2.gz RBRVIKUABMAZCE-QFQXNSOFSA-N 0 3 486.661 2.897 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296134983 1064237954 /nfs/dbraw/zinc/23/79/54/1064237954.db2.gz UGMUWDRCBQDADX-UXHICEINSA-N 0 3 474.675 2.830 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296135206 1064238833 /nfs/dbraw/zinc/23/88/33/1064238833.db2.gz XFPJHMAXPBXRBQ-NRFANRHFSA-N 0 3 484.645 2.581 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)CCN(C)c2ccccc2)CC1 ZINC001296136335 1064241285 /nfs/dbraw/zinc/24/12/85/1064241285.db2.gz HPVHYZCPVPQWCI-JTHBVZDNSA-N 0 3 455.651 2.728 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC=C(Br)C2)CC1 ZINC001296137097 1064242793 /nfs/dbraw/zinc/24/27/93/1064242793.db2.gz LNRNUQNRUBNXKJ-BJLQDIEVSA-N 0 3 497.482 2.517 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2cccc(C)c2)CC1 ZINC001296138861 1064245640 /nfs/dbraw/zinc/24/56/40/1064245640.db2.gz YEIZTSGEVQHCKE-NHTMILBNSA-N 0 3 470.662 2.973 20 0 JFADHN CC[C@H](C)N(C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291765273 1064245733 /nfs/dbraw/zinc/24/57/33/1064245733.db2.gz JYIUPXSTZROACK-HNNXBMFYSA-N 0 3 455.028 2.737 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001296139036 1064246043 /nfs/dbraw/zinc/24/60/43/1064246043.db2.gz ZTTSGQTVQJXNTQ-MLNNCEHLSA-N 0 3 480.723 2.606 20 0 JFADHN CC[C@H](C)N(C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291766689 1064248120 /nfs/dbraw/zinc/24/81/20/1064248120.db2.gz FKKFSJHQPUTEKV-HKUYNNGSSA-N 0 3 477.631 2.808 20 0 JFADHN CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cnccc2OC)C[C@H]1C ZINC001296142003 1064248590 /nfs/dbraw/zinc/24/85/90/1064248590.db2.gz HKDUTUYRQQZULP-QGZVFWFLSA-N 0 3 482.585 2.953 20 0 JFADHN CC[C@@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001291773413 1064258436 /nfs/dbraw/zinc/25/84/36/1064258436.db2.gz HIFDURPPYQZQHI-FYYLOGMGSA-N 0 3 488.702 2.623 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(C)c1 ZINC001291775239 1064263934 /nfs/dbraw/zinc/26/39/34/1064263934.db2.gz VRVYZQMPVUJYOT-AZUAARDMSA-N 0 3 463.648 2.864 20 0 JFADHN CCN1CCN(c2nnc(-c3ccccc3Br)n2CCN2CCOC[C@@H]2C)C[C@H]1C ZINC001296154356 1064264471 /nfs/dbraw/zinc/26/44/71/1064264471.db2.gz LRERJYNECUQUTI-MSOLQXFVSA-N 0 3 477.451 2.959 20 0 JFADHN CC[C@H](C)N(C)CCn1c(Cc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291778574 1064266222 /nfs/dbraw/zinc/26/62/22/1064266222.db2.gz JPEXMINMEOKBNX-KRWDZBQOSA-N 0 3 451.612 2.752 20 0 JFADHN CC[C@@H](C)N(C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001291778326 1064266442 /nfs/dbraw/zinc/26/64/42/1064266442.db2.gz HZQSFSPYGUZMBP-YLJYHZDGSA-N 0 3 451.612 2.752 20 0 JFADHN CC[C@@H](C)N(C)CCn1c(Cc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291778575 1064266754 /nfs/dbraw/zinc/26/67/54/1064266754.db2.gz JPEXMINMEOKBNX-QGZVFWFLSA-N 0 3 451.612 2.752 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(C(C)C)n3Cc3cccnc3OCC(F)F)C2)CC1 ZINC001296173682 1064296952 /nfs/dbraw/zinc/29/69/52/1064296952.db2.gz JXBFEBMTOYUVOZ-IBGZPJMESA-N 0 3 463.577 2.705 20 0 JFADHN CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001296174206 1064300364 /nfs/dbraw/zinc/30/03/64/1064300364.db2.gz OJVLUBOLHPVXBZ-UNMCSNQZSA-N 0 3 474.625 2.883 20 0 JFADHN CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001296174204 1064300630 /nfs/dbraw/zinc/30/06/30/1064300630.db2.gz OJVLUBOLHPVXBZ-IRLDBZIGSA-N 0 3 474.625 2.883 20 0 JFADHN CC[C@@H](C)NC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001291796015 1064302274 /nfs/dbraw/zinc/30/22/74/1064302274.db2.gz IRIXMCWVNVZAKG-GGAORHGYSA-N 0 3 497.688 2.863 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(OC)cc4)n3CC(O)(CC)CC)C2)CC1 ZINC001296179849 1064309659 /nfs/dbraw/zinc/30/96/59/1064309659.db2.gz JEAOSXQFOPYCLB-OAQYLSRUSA-N 0 3 456.635 2.721 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4OC)n3CCC(C)(C)O)C2)CC1 ZINC001296180083 1064310935 /nfs/dbraw/zinc/31/09/35/1064310935.db2.gz LDDAMDSCKHUBAT-LJQANCHMSA-N 0 3 477.053 2.984 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](Cc3ccc(F)cc3)C(N)=O)C2)CC1 ZINC001296180607 1064312408 /nfs/dbraw/zinc/31/24/08/1064312408.db2.gz OOZKSBQGHSORGB-FYYLOGMGSA-N 0 3 499.679 2.566 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(OC)cc4)n3CCOC(C)(C)C)C2)CC1 ZINC001296181255 1064314129 /nfs/dbraw/zinc/31/41/29/1064314129.db2.gz WBTSIDIXSJPCDN-NRFANRHFSA-N 0 3 456.635 2.985 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccccc4Cl)n3C[C@@](C)(O)CCOC)C2)CC1 ZINC001296181156 1064314214 /nfs/dbraw/zinc/31/42/14/1064314214.db2.gz SRIMJVKKTPDHBO-DVECYGJZSA-N 0 3 477.053 2.602 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(C4CCCC4)n3CCN(C)CC(F)(F)F)C2)CC1 ZINC001296181319 1064314930 /nfs/dbraw/zinc/31/49/30/1064314930.db2.gz VRMHWIJMTMTPSY-IBGZPJMESA-N 0 3 457.589 2.646 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(C4CCCC4)n3CCNC(=O)OC(C)(C)C)C2)CC1 ZINC001296181550 1064316132 /nfs/dbraw/zinc/31/61/32/1064316132.db2.gz XIENCHBQHALDBV-FQEVSTJZSA-N 0 3 461.655 2.677 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)C)n3CCNC(=O)c3ccc(C)c(F)c3)C2)CC1 ZINC001296182120 1064321318 /nfs/dbraw/zinc/32/13/18/1064321318.db2.gz NAOUSWZJWCEHFH-QFIPXVFZSA-N 0 3 485.652 2.570 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(CCCc4ccccc4)n3CCNC(=O)C(C)(C)C)C2)CC1 ZINC001296182146 1064321353 /nfs/dbraw/zinc/32/13/53/1064321353.db2.gz NSQDOWUAMBADPB-DEOSSOPVSA-N 0 3 495.716 2.832 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001296182596 1064323928 /nfs/dbraw/zinc/32/39/28/1064323928.db2.gz UYIXTYHISNISGJ-LJQANCHMSA-N 0 3 473.691 2.794 20 0 JFADHN CC[C@H](C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001291806046 1064326434 /nfs/dbraw/zinc/32/64/34/1064326434.db2.gz YRFAFVDLSVZWDT-RCCFBDPRSA-N 0 3 456.591 2.898 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(OC)c(OC)c3)C2)CC1 ZINC001296183021 1064326924 /nfs/dbraw/zinc/32/69/24/1064326924.db2.gz YDWFZSWMPAITMC-OAQYLSRUSA-N 0 3 456.635 2.758 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC001296183809 1064329794 /nfs/dbraw/zinc/32/97/94/1064329794.db2.gz GHZRGAXCAGADIE-WOJBJXKFSA-N 0 3 477.698 2.990 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001296184318 1064331675 /nfs/dbraw/zinc/33/16/75/1064331675.db2.gz JOQPBPRIHJHELC-XUVXKRRUSA-N 0 3 486.690 2.529 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCCN(C(=O)OCC(C)C)CC2)CC1 ZINC001296184423 1064331697 /nfs/dbraw/zinc/33/16/97/1064331697.db2.gz KWENHIQGXBWDPM-QFIPXVFZSA-N 0 3 477.698 2.980 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(C3CCCCC3)C(=O)C2)CC1 ZINC001296184909 1064332345 /nfs/dbraw/zinc/33/23/45/1064332345.db2.gz MXVNBEQDBCJVFV-NRFANRHFSA-N 0 3 459.683 2.656 20 0 JFADHN CCN(CC1CCN(c2ccccn2)CC1)c1nnc(C)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001296185685 1064333551 /nfs/dbraw/zinc/33/35/51/1064333551.db2.gz QOOWRQGRHJHPMV-JOCHJYFZSA-N 0 3 468.694 2.998 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(F)cc(F)cc3C2)CC1 ZINC001296186054 1064334442 /nfs/dbraw/zinc/33/44/42/1064334442.db2.gz SXSFECROQFZXAL-GOSISDBHSA-N 0 3 489.615 2.531 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCO[C@@H](c3noc(C(C)C)n3)C2)CC1 ZINC001296190052 1064337065 /nfs/dbraw/zinc/33/70/65/1064337065.db2.gz BHZFOPVYDKCCGU-NHCUHLMSSA-N 0 3 488.681 2.835 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001296190361 1064337725 /nfs/dbraw/zinc/33/77/25/1064337725.db2.gz CMLJVJLUJTYQJV-NRFANRHFSA-N 0 3 487.718 2.509 20 0 JFADHN CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001291812911 1064340376 /nfs/dbraw/zinc/34/03/76/1064340376.db2.gz RRUSTPBFUHQEBQ-HXUWFJFHSA-N 0 3 484.645 2.807 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001296190978 1064341075 /nfs/dbraw/zinc/34/10/75/1064341075.db2.gz GYCWLNKRAUZNPQ-SFHVURJKSA-N 0 3 485.706 2.586 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001296192774 1064346856 /nfs/dbraw/zinc/34/68/56/1064346856.db2.gz NQPJNKRVJXPNBR-UNMCSNQZSA-N 0 3 456.635 2.701 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@H](C)C2)CC1 ZINC001296192807 1064347500 /nfs/dbraw/zinc/34/75/00/1064347500.db2.gz GPNLFARUOWHYJW-SFTDATJTSA-N 0 3 456.635 2.986 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC(F)(F)C2)CC1 ZINC001296192798 1064347518 /nfs/dbraw/zinc/34/75/18/1064347518.db2.gz NSKNGJDNKUATDF-LJQANCHMSA-N 0 3 462.589 2.997 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001296192901 1064347905 /nfs/dbraw/zinc/34/79/05/1064347905.db2.gz GWEOMNSFJBJSAC-HXKBJWFLSA-N 0 3 462.683 2.902 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(N3CCC[C@@H](CNC(=O)C(C)C)C3)nnc2C(C)(C)C)CC1 ZINC001296193183 1064348942 /nfs/dbraw/zinc/34/89/42/1064348942.db2.gz HVOVGNZPDRLRSU-VXKWHMMOSA-N 0 3 475.726 2.838 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(N3CCC[C@H](c4nc(C)no4)C3)nnc2C(C)(C)C)CC1 ZINC001296193352 1064350518 /nfs/dbraw/zinc/35/05/18/1064350518.db2.gz IKEMZKDDJBZGJZ-ICSRJNTNSA-N 0 3 458.655 2.925 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296193699 1064351092 /nfs/dbraw/zinc/35/10/92/1064351092.db2.gz PDROLAUYWKMQQB-MJGOQNOKSA-N 0 3 486.608 2.972 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296193710 1064352478 /nfs/dbraw/zinc/35/24/78/1064352478.db2.gz PGBAQTUBISQRTO-OFVILXPXSA-N 0 3 462.683 2.525 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C3CC3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296194080 1064354115 /nfs/dbraw/zinc/35/41/15/1064354115.db2.gz LHOBQRRAWKGUCV-ZJOUEHCJSA-N 0 3 475.682 2.779 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001296194436 1064356071 /nfs/dbraw/zinc/35/60/71/1064356071.db2.gz SKIKHCXBMABKOY-AZUAARDMSA-N 0 3 461.680 2.847 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(N3CCN(c4nc(C)cs4)CC3)nnc2C(C)(C)C)CC1 ZINC001296194668 1064356733 /nfs/dbraw/zinc/35/67/33/1064356733.db2.gz NDAAMYRUQLKHJF-LJQANCHMSA-N 0 3 474.723 2.941 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001296194621 1064356852 /nfs/dbraw/zinc/35/68/52/1064356852.db2.gz MWROTUMZGPJUNH-NHCUHLMSSA-N 0 3 474.625 2.885 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296195868 1064364287 /nfs/dbraw/zinc/36/42/87/1064364287.db2.gz RIMDIMVJLVGEMM-HFZDXXHNSA-N 0 3 486.709 2.809 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC001296196096 1064364851 /nfs/dbraw/zinc/36/48/51/1064364851.db2.gz XCZUZDUEXNWSDH-QKNQBKEWSA-N 0 3 495.594 2.694 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001296196118 1064365658 /nfs/dbraw/zinc/36/56/58/1064365658.db2.gz XJFWDYFRSVTDEO-GOSISDBHSA-N 0 3 460.589 2.644 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001296196236 1064365747 /nfs/dbraw/zinc/36/57/47/1064365747.db2.gz YEPXVZCIJUEUBQ-NRFANRHFSA-N 0 3 471.694 2.857 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(N3CCC[C@@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296196366 1064366462 /nfs/dbraw/zinc/36/64/62/1064366462.db2.gz SBIYNAURZJDMHW-DENIHFKCSA-N 0 3 471.698 2.899 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001296196944 1064371296 /nfs/dbraw/zinc/37/12/96/1064371296.db2.gz WWSICMZKMBFTDW-JTAQYXEDSA-N 0 3 483.661 2.709 20 0 JFADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCC(c3ccccc3)CC2)CC1 ZINC001296202508 1064377840 /nfs/dbraw/zinc/37/78/40/1064377840.db2.gz DNTQUARUKVLSCC-UHFFFAOYSA-N 0 3 467.662 2.828 20 0 JFADHN CCN1CCN(CCCn2c(C)nnc2N2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)CC1 ZINC001296202543 1064377966 /nfs/dbraw/zinc/37/79/66/1064377966.db2.gz FEGQYIVBVNBBTG-OAQYLSRUSA-N 0 3 471.650 2.712 20 0 JFADHN CCN1CCN(CCCn2c(C)nnc2N2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC001296202578 1064378637 /nfs/dbraw/zinc/37/86/37/1064378637.db2.gz GDMSPDCWVGNKSU-NRFANRHFSA-N 0 3 464.561 2.793 20 0 JFADHN CCN1CCN(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296203327 1064381269 /nfs/dbraw/zinc/38/12/69/1064381269.db2.gz KVHZAPGDXJMHJD-URVUXULASA-N 0 3 474.625 2.792 20 0 JFADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001296204040 1064383519 /nfs/dbraw/zinc/38/35/19/1064383519.db2.gz POUDMZMDVDBYAR-SFHVURJKSA-N 0 3 477.604 2.920 20 0 JFADHN CCN1CCN(CCCn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001296204244 1064385657 /nfs/dbraw/zinc/38/56/57/1064385657.db2.gz IXMCRPZBFGEPOS-VXKWHMMOSA-N 0 3 462.683 2.984 20 0 JFADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)CC1 ZINC001296205028 1064388634 /nfs/dbraw/zinc/38/86/34/1064388634.db2.gz QUPHCMDYVCYLPG-STWLZBDKSA-N 0 3 462.683 2.667 20 0 JFADHN CCN1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001296205267 1064390068 /nfs/dbraw/zinc/39/00/68/1064390068.db2.gz RKFQKNKMKJITND-KRWDZBQOSA-N 0 3 466.055 2.608 20 0 JFADHN CCN1CCN(CCCn2c(C3CCCC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001296205326 1064390851 /nfs/dbraw/zinc/39/08/51/1064390851.db2.gz TWCIVLDWELTJAH-UHFFFAOYSA-N 0 3 474.698 2.593 20 0 JFADHN CCN1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001296205566 1064391169 /nfs/dbraw/zinc/39/11/69/1064391169.db2.gz WPAAZGRLZPGGLA-NQIIRXRSSA-N 0 3 457.598 2.593 20 0 JFADHN CCN1CCN(CCCn2c(CC3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296209927 1064400081 /nfs/dbraw/zinc/40/00/81/1064400081.db2.gz BSLFMQDWUXVSQQ-HXUWFJFHSA-N 0 3 475.682 2.704 20 0 JFADHN CCN1CCN(CCCn2c(CC3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296209926 1064400176 /nfs/dbraw/zinc/40/01/76/1064400176.db2.gz BSLFMQDWUXVSQQ-FQEVSTJZSA-N 0 3 475.682 2.704 20 0 JFADHN CCN1CCN(CCCn2c(CC3CCCC3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001296210057 1064400248 /nfs/dbraw/zinc/40/02/48/1064400248.db2.gz CUEDJIXBTOOJQY-UHFFFAOYSA-N 0 3 473.710 2.733 20 0 JFADHN CCN1CCN(CCCn2c(COc3cc(C)ccc3C)nnc2N2CCCOCC2)CC1 ZINC001296210613 1064400850 /nfs/dbraw/zinc/40/08/50/1064400850.db2.gz GYUQODNYOLCJRK-UHFFFAOYSA-N 0 3 456.635 2.728 20 0 JFADHN CCN1CCN(CCCn2c(CC(C)C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)CC1 ZINC001296210649 1064400908 /nfs/dbraw/zinc/40/09/08/1064400908.db2.gz HCTACUJMDQBKBA-IBGZPJMESA-N 0 3 459.605 2.577 20 0 JFADHN CCN1CCN(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001296213306 1064408101 /nfs/dbraw/zinc/40/81/01/1064408101.db2.gz HDCAVORVVOQKJD-IFMALSPDSA-N 0 3 491.725 2.575 20 0 JFADHN CCn1nc(-c2nnc(N3CCC(C)=C(C)C3)n2CCN(C)CCOC)c2ccccc2c1=O ZINC001296219836 1064434652 /nfs/dbraw/zinc/43/46/52/1064434652.db2.gz OKNAQDQVUOOULG-UHFFFAOYSA-N 0 3 465.602 2.800 20 0 JFADHN CC[C@@H](c1nnc(N2CCC(CC(N)=O)CC2)n1C[C@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001291864486 1064477745 /nfs/dbraw/zinc/47/77/45/1064477745.db2.gz GLVHKXLXUVVRGP-XUZZJYLKSA-N 0 3 481.689 2.938 20 0 JFADHN CC[C@H](c1nnc(N2CCN(C(C)(C)C)CC2)n1CCC(=O)N1CCOCC1)c1ccccc1 ZINC001291888848 1064513560 /nfs/dbraw/zinc/51/35/60/1064513560.db2.gz XYXOGHCNNLLGQQ-QFIPXVFZSA-N 0 3 468.646 2.989 20 0 JFADHN CC[C@H](c1nnc(N2CCN(CC3CCOCC3)CC2)n1CC(=O)NCC(F)F)c1ccccc1 ZINC001291893247 1064521359 /nfs/dbraw/zinc/52/13/59/1064521359.db2.gz KODLEIFZEDKESU-NRFANRHFSA-N 0 3 490.599 2.750 20 0 JFADHN CC[C@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001291904477 1064535051 /nfs/dbraw/zinc/53/50/51/1064535051.db2.gz PRMZDBDXYXLHRG-KAMZKSLDSA-N 0 3 482.673 2.970 20 0 JFADHN CCC(CC)(Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)SC ZINC001291933268 1064551969 /nfs/dbraw/zinc/55/19/69/1064551969.db2.gz GFFJFFHQHOWGPM-NRFANRHFSA-N 0 3 485.702 2.929 20 0 JFADHN CCN(C(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001291945579 1064560345 /nfs/dbraw/zinc/56/03/45/1064560345.db2.gz MIPQXQPCXAXSDN-JQVVWYNYSA-N 0 3 459.612 2.643 20 0 JFADHN C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)cc1 ZINC001291948693 1064560901 /nfs/dbraw/zinc/56/09/01/1064560901.db2.gz JURZPYYJYOKZNZ-AUSIDOKSSA-N 0 3 459.612 2.549 20 0 JFADHN CCC(CC)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCOC1)N(C)C ZINC001291950943 1064562940 /nfs/dbraw/zinc/56/29/40/1064562940.db2.gz BFVGBOHEBLJFCD-PZJWPPBQSA-N 0 3 463.648 2.940 20 0 JFADHN CCC(CC)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCOC1)N(C)C ZINC001291950944 1064562969 /nfs/dbraw/zinc/56/29/69/1064562969.db2.gz BFVGBOHEBLJFCD-TZIWHRDSSA-N 0 3 463.648 2.940 20 0 JFADHN CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001291961604 1064574371 /nfs/dbraw/zinc/57/43/71/1064574371.db2.gz LRBPWRLEAWMNDP-PMACEKPBSA-N 0 3 491.658 2.706 20 0 JFADHN CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCNC(=O)[C@@H]1CC)N1CCOCC1 ZINC001291961562 1064574402 /nfs/dbraw/zinc/57/44/02/1064574402.db2.gz LHVPPDJUTLXLAA-FCHUYYIVSA-N 0 3 454.619 2.797 20 0 JFADHN CCC(CC)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC(C)(C)C1)N(C)C ZINC001291967348 1064582489 /nfs/dbraw/zinc/58/24/89/1064582489.db2.gz ICIWMEBVBMMTGY-QZTJIDSGSA-N 0 3 457.710 2.878 20 0 JFADHN CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N(C)C ZINC001291969066 1064585082 /nfs/dbraw/zinc/58/50/82/1064585082.db2.gz YCYXCUHOGXYHNW-AQNXPRMDSA-N 0 3 455.669 2.552 20 0 JFADHN CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nccs2)C1)N(C)C ZINC001291970141 1064586066 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JIVVMJWRBNQYIM-CJAUYULYSA-N 0 3 472.609 2.918 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3ccc(F)cc3)C2)n1CCN1CCC[C@@H]1C ZINC001292066075 1064743411 /nfs/dbraw/zinc/74/34/11/1064743411.db2.gz JIVVMJWRBNQYIM-BVZFJXPGSA-N 0 3 472.609 2.918 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1C[C@@]1(N(C)C)CCSC1 ZINC001292102464 1064793326 /nfs/dbraw/zinc/79/33/26/1064793326.db2.gz RQAKQQNYBZWSGG-MSYCTHLASA-N 0 3 464.680 2.782 20 0 JFADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)C1 ZINC001292108509 1064805569 /nfs/dbraw/zinc/80/55/69/1064805569.db2.gz HJIUJDOKUANYCL-GIVPXCGWSA-N 0 3 458.603 2.701 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CCN1CCC[C@@H]1C ZINC001292110687 1064816217 /nfs/dbraw/zinc/81/62/17/1064816217.db2.gz MFFHIRIIDSGAIJ-FQEVSTJZSA-N 0 3 481.645 2.643 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CCN1CCC[C@H]1C ZINC001292110690 1064816648 /nfs/dbraw/zinc/81/66/48/1064816648.db2.gz MFFHIRIIDSGAIJ-HXUWFJFHSA-N 0 3 481.645 2.643 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CSCCS1 ZINC001292114128 1064825819 /nfs/dbraw/zinc/82/58/19/1064825819.db2.gz SQAMUPAUDPOQGC-KRWDZBQOSA-N 0 3 454.710 2.966 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001292125141 1064867906 /nfs/dbraw/zinc/86/79/06/1064867906.db2.gz IYYXAQKKYYQQPQ-UHFFFAOYSA-N 0 3 468.650 2.770 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1Cc1cccs1 ZINC001292125278 1064868347 /nfs/dbraw/zinc/86/83/47/1064868347.db2.gz BJDHUQYFYUIDAH-UHFFFAOYSA-N 0 3 460.648 2.855 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC3CCCCC3)CC2)n1C[C@]1(O)CCSC1 ZINC001292126852 1064877959 /nfs/dbraw/zinc/87/79/59/1064877959.db2.gz QAZCTGVAJFQYSV-XMMPIXPASA-N 0 3 478.707 2.767 20 0 JFADHN CCN(CC)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)c1ccc(C(F)(F)F)cc1 ZINC001292141549 1064909449 /nfs/dbraw/zinc/90/94/49/1064909449.db2.gz LLTBRCGVCGYHGZ-LPHOPBHVSA-N 0 3 451.493 2.991 20 0 JFADHN CCN(CC)[C@H](CNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)c1ccc(C(F)(F)F)cc1 ZINC001292141551 1064909580 /nfs/dbraw/zinc/90/95/80/1064909580.db2.gz LLTBRCGVCGYHGZ-QFBILLFUSA-N 0 3 451.493 2.991 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nnc(C)o3)C2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001292143119 1064910821 /nfs/dbraw/zinc/91/08/21/1064910821.db2.gz AOJWQERPDIRPCO-OALUTQOASA-N 0 3 488.637 2.586 20 0 JFADHN O=C(c1ccc(=O)n(CCOc2ccccc2Cl)c1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC001292156932 1064938149 /nfs/dbraw/zinc/93/81/49/1064938149.db2.gz WLHPLECQGDZVQE-HXUWFJFHSA-N 0 3 459.974 2.908 20 0 JFADHN CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1C)N1CCc2ccccc2C1 ZINC001292176170 1064966285 /nfs/dbraw/zinc/96/62/85/1064966285.db2.gz WZGAUOSBLHQBCI-DBXWQHBBSA-N 0 3 460.648 2.714 20 0 JFADHN CC[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001292178673 1064969084 /nfs/dbraw/zinc/96/90/84/1064969084.db2.gz GHLAMOSITKWPDF-KNQAVFIVSA-N 0 3 491.658 2.850 20 0 JFADHN CC[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCS(=O)(=O)CC1)N1CCCC1 ZINC001292195935 1064987740 /nfs/dbraw/zinc/98/77/40/1064987740.db2.gz QUIKFWPTEVJPFS-INIZCTEOSA-N 0 3 482.448 2.817 20 0 JFADHN CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1)NC(=O)OC(C)(C)C ZINC001292218836 1065005169 /nfs/dbraw/zinc/00/51/69/1065005169.db2.gz JNFWYDZNTJWHAN-NJDAHSKKSA-N 0 3 492.665 2.982 20 0 JFADHN CC[C@]1(C)CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)C2CCN(CCn3cccn3)CC2)O1 ZINC001292295030 1065066844 /nfs/dbraw/zinc/06/68/44/1065066844.db2.gz FEIFTNZLFFTGGO-PXDATVDWSA-N 0 3 486.665 2.561 20 0 JFADHN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)O1 ZINC001292304935 1065075327 /nfs/dbraw/zinc/07/53/27/1065075327.db2.gz OGDBIVIOSNNDTQ-WZOHSFFVSA-N 0 3 460.667 2.957 20 0 JFADHN O=C(C[C@H](n1ccnc1)C(F)(F)F)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001292309957 1065078174 /nfs/dbraw/zinc/07/81/74/1065078174.db2.gz ZYBMQLQMMZWREP-OALUTQOASA-N 0 3 450.509 2.832 20 0 JFADHN O=C(C[C@@H](n1ccnc1)C(F)(F)F)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001292309959 1065078321 /nfs/dbraw/zinc/07/83/21/1065078321.db2.gz ZYBMQLQMMZWREP-RTBURBONSA-N 0 3 450.509 2.832 20 0 JFADHN COc1cc2nc(C(=O)NC[C@H](c3ccc(C)cc3)N3CCCC3)c(=O)n(C)c2cc1OC ZINC001292379155 1065122604 /nfs/dbraw/zinc/12/26/04/1065122604.db2.gz ZLSGQTLGPROHEQ-HXUWFJFHSA-N 0 3 450.539 2.826 20 0 JFADHN CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)N(C)C)cc1 ZINC001292457986 1065180237 /nfs/dbraw/zinc/18/02/37/1065180237.db2.gz MYBLRCIJFPTDPM-OFNKIYASSA-N 0 3 497.688 2.975 20 0 JFADHN CCc1ccc([C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C(N)=O)CC2)N(C)C)cc1 ZINC001292458761 1065183017 /nfs/dbraw/zinc/18/30/17/1065183017.db2.gz BMTBSUQBEFQEOE-HSZRJFAPSA-N 0 3 478.645 2.707 20 0 JFADHN CCc1ccc([C@@H](Cn2c(Cc3ccncc3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)N(C)C)cc1 ZINC001292459706 1065185385 /nfs/dbraw/zinc/18/53/85/1065185385.db2.gz FMPWDFHELBOCGB-SMIHKQSGSA-N 0 3 464.614 2.979 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)N(C)C)cc1 ZINC001292459643 1065185440 /nfs/dbraw/zinc/18/54/40/1065185440.db2.gz DHAHIAOITIEZSO-GMAHTHKFSA-N 0 3 454.619 2.752 20 0 JFADHN CCc1ccc([C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](C(=O)NC)C2)N(C)C)cc1 ZINC001292460536 1065188379 /nfs/dbraw/zinc/18/83/79/1065188379.db2.gz IHBQDVFWEBPPBP-BHDDXSALSA-N 0 3 454.619 2.957 20 0 JFADHN CCc1ccc([C@@H](Cn2c([C@@H]3CCOC3)nnc2N2CCC(CC(=O)NC)CC2)N(C)C)cc1 ZINC001292462385 1065191536 /nfs/dbraw/zinc/19/15/36/1065191536.db2.gz RXSVMNUYORSNRY-DHIUTWEWSA-N 0 3 468.646 3.000 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@H](C(N)=O)C2)N(C)C)cc1 ZINC001292463976 1065193409 /nfs/dbraw/zinc/19/34/09/1065193409.db2.gz ZHYPRKKPWPRHHU-MLCQCVOFSA-N 0 3 484.645 2.569 20 0 JFADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001292465007 1065193511 /nfs/dbraw/zinc/19/35/11/1065193511.db2.gz STCCSHILWDPWHZ-UHFFFAOYSA-N 0 3 450.967 2.996 20 0 JFADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001292469978 1065195935 /nfs/dbraw/zinc/19/59/35/1065195935.db2.gz CKZXMESHGBKHAT-OALUTQOASA-N 0 3 450.461 2.566 20 0 JFADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 ZINC001292470767 1065197188 /nfs/dbraw/zinc/19/71/88/1065197188.db2.gz OCPIVVGCESQPBI-QHCPKHFHSA-N 0 3 453.530 2.692 20 0 JFADHN CCc1ccc(-c2nnc(N3C[C@H](C)[C@H](N4CCCN(C(C)=O)CC4)C3)n2CC(C)(C)O)cc1 ZINC001292479740 1065203740 /nfs/dbraw/zinc/20/37/40/1065203740.db2.gz TUJZQIJOTOBXCQ-WMZHIEFXSA-N 0 3 468.646 2.657 20 0 JFADHN CCc1ccc(-c2nnc(N3C[C@H](N4CCCN(C(C)=O)CC4)[C@@H](C)C3)n2CCOC)cc1 ZINC001292479774 1065204309 /nfs/dbraw/zinc/20/43/09/1065204309.db2.gz UOWAIVUEKAEJDE-CVDCTZTESA-N 0 3 454.619 2.533 20 0 JFADHN CCc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@H]3C)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001292484737 1065206391 /nfs/dbraw/zinc/20/63/91/1065206391.db2.gz GLCOERADXDGBHO-WOIUINJBSA-N 0 3 474.675 2.850 20 0 JFADHN CCc1ccc(-c2nnc(N3CCC[C@@H](CNC(C)=O)C3)n2C[C@@H](C)N2CCN(CC)CC2)cc1 ZINC001292507164 1065224599 /nfs/dbraw/zinc/22/45/99/1065224599.db2.gz IVUKNNNTRXGTFO-QPPBQGQZSA-N 0 3 481.689 2.886 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C(=O)CN(CC)CC)CC3)n2C[C@@](C)(O)c2ccco2)cc1 ZINC001292513810 1065234469 /nfs/dbraw/zinc/23/44/69/1065234469.db2.gz OBKCRUHZBADUFK-HHHXNRCGSA-N 0 3 494.640 2.999 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2C[C@H](CC)OC)cc1 ZINC001292513780 1065234514 /nfs/dbraw/zinc/23/45/14/1065234514.db2.gz NKEUQCILOCOIKB-FCHUYYIVSA-N 0 3 454.619 2.675 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C4CCOCC4)CC3)n2CCCNC(=O)C(C)C)cc1 ZINC001292517379 1065238552 /nfs/dbraw/zinc/23/85/52/1065238552.db2.gz AJKLLQYLTQUCKL-UHFFFAOYSA-N 0 3 468.646 2.971 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(CCOC)[C@H](C)C3)n2CCN2CCOC(C)(C)C2)cc1 ZINC001292520452 1065245605 /nfs/dbraw/zinc/24/56/05/1065245605.db2.gz JSDSXBNLHBZYPY-OAQYLSRUSA-N 0 3 470.662 2.775 20 0 JFADHN C[C@H](C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001292521207 1065247404 /nfs/dbraw/zinc/24/74/04/1065247404.db2.gz DGUAEBSYJNCUNR-DZFGPLHGSA-N 0 3 458.603 2.829 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCN(CC)CCC(F)(F)F)cc1 ZINC001292525035 1065250863 /nfs/dbraw/zinc/25/08/63/1065250863.db2.gz OMZJLWANBKZACH-LJQANCHMSA-N 0 3 479.551 2.996 20 0 JFADHN CCc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001292589135 1065304622 /nfs/dbraw/zinc/30/46/22/1065304622.db2.gz HYTCXLKWHVCUKJ-FUPPJEDESA-N 0 3 498.672 2.976 20 0 JFADHN CCc1ccccc1OCc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001292589134 1065304682 /nfs/dbraw/zinc/30/46/82/1065304682.db2.gz HYTCXLKWHVCUKJ-FUDKSRODSA-N 0 3 498.672 2.976 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC(C)(C)COC ZINC001292610983 1065340520 /nfs/dbraw/zinc/34/05/20/1065340520.db2.gz ZEJNGWDBGOBJMB-JOCHJYFZSA-N 0 3 498.672 2.835 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CCOC(C)(C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001292615048 1065346887 /nfs/dbraw/zinc/34/68/87/1065346887.db2.gz QRMPPRAVNCZTBH-QFIPXVFZSA-N 0 3 498.672 2.977 20 0 JFADHN CCc1nn(C)c(OC)c1Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001292780360 1065539665 /nfs/dbraw/zinc/53/96/65/1065539665.db2.gz BXRQUOGTLVXTNA-ZWKOTPCHSA-N 0 3 452.607 2.536 20 0 JFADHN CCc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001292817145 1065566205 /nfs/dbraw/zinc/56/62/05/1065566205.db2.gz OYSVDCXIBSMHCK-DEOSSOPVSA-N 0 3 455.607 2.755 20 0 JFADHN CCc1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001292875013 1065582190 /nfs/dbraw/zinc/58/21/90/1065582190.db2.gz USLPIVOQRSWONX-GOSISDBHSA-N 0 3 452.607 2.542 20 0 JFADHN CCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CCCc1cc(OC)ccc1OC ZINC001292892231 1065589836 /nfs/dbraw/zinc/58/98/36/1065589836.db2.gz BDFUZNJFXMCPNR-YKSBVNFPSA-N 0 3 498.672 2.869 20 0 JFADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](SC)C(C)(C)C ZINC001292892896 1065591770 /nfs/dbraw/zinc/59/17/70/1065591770.db2.gz IRDKDPFEJXNHBG-YSIASYRMSA-N 0 3 450.697 2.997 20 0 JFADHN CCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(C)cc1OC ZINC001292893120 1065592631 /nfs/dbraw/zinc/59/26/31/1065592631.db2.gz LFWNMNDSNAAIBB-KNQAVFIVSA-N 0 3 454.619 2.585 20 0 JFADHN O=C(NCC1(N2CCCCC2)CCOCC1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC001292896116 1065596813 /nfs/dbraw/zinc/59/68/13/1065596813.db2.gz FOMWVKVHTGUKKV-UHFFFAOYSA-N 0 3 455.646 2.688 20 0 JFADHN CCc1nnc(N2CC[C@H](c3ccccc3OC)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001292943494 1065628400 /nfs/dbraw/zinc/62/84/00/1065628400.db2.gz OELZNXWKQBSLEG-FPOVZHCZSA-N 0 3 454.619 2.786 20 0 JFADHN CN1CCC(N(Cc2ccco2)C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC001292957630 1065635411 /nfs/dbraw/zinc/63/54/11/1065635411.db2.gz MEAITRRZDWQLDB-UHFFFAOYSA-N 0 3 459.612 2.950 20 0 JFADHN CCN1CCN(C[C@@H](C)CNC(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001292957741 1065635444 /nfs/dbraw/zinc/63/54/44/1065635444.db2.gz DNWVWSXGUGDAJC-FQEVSTJZSA-N 0 3 458.647 2.912 20 0 JFADHN CCc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001292960151 1065639492 /nfs/dbraw/zinc/63/94/92/1065639492.db2.gz RBTRSSWOEYMHQG-FQEVSTJZSA-N 0 3 477.698 2.950 20 0 JFADHN CCc1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1CCc1ccc(OC)c(OC(F)F)c1 ZINC001292978227 1065658359 /nfs/dbraw/zinc/65/83/59/1065658359.db2.gz DSDODQVEVMTJLG-LJQANCHMSA-N 0 3 478.588 2.909 20 0 JFADHN CCc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001292979762 1065661410 /nfs/dbraw/zinc/66/14/10/1065661410.db2.gz WZEXANONRJYSDJ-HXUWFJFHSA-N 0 3 471.616 2.720 20 0 JFADHN CCc1nnc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001292979951 1065662985 /nfs/dbraw/zinc/66/29/85/1065662985.db2.gz ITNJOVGEUIASHZ-UHFFFAOYSA-N 0 3 469.565 2.807 20 0 JFADHN CCc1nnc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001292980169 1065663806 /nfs/dbraw/zinc/66/38/06/1065663806.db2.gz LSBXZMUCWYKERP-OAQYLSRUSA-N 0 3 469.565 2.978 20 0 JFADHN CCN1CCN(CCNC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)CC1 ZINC001292986442 1065671031 /nfs/dbraw/zinc/67/10/31/1065671031.db2.gz MHWCOSJNPCXGEI-GOSISDBHSA-N 0 3 454.015 2.753 20 0 JFADHN CCc1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001292986597 1065671864 /nfs/dbraw/zinc/67/18/64/1065671864.db2.gz FAHIHIJFZRYIGW-BWKNWUBXSA-N 0 3 489.064 2.621 20 0 JFADHN CCc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001292991609 1065679352 /nfs/dbraw/zinc/67/93/52/1065679352.db2.gz QKWYHXSMMGAYDO-SFHVURJKSA-N 0 3 477.057 2.605 20 0 JFADHN CCc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001293027333 1065699670 /nfs/dbraw/zinc/69/96/70/1065699670.db2.gz KUAMWICWYKFPGO-HXUWFJFHSA-N 0 3 488.702 2.785 20 0 JFADHN CCc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001293035555 1065704070 /nfs/dbraw/zinc/70/40/70/1065704070.db2.gz NSAGEKOXFWGMCN-WOJBJXKFSA-N 0 3 491.681 2.619 20 0 JFADHN CCc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001293082152 1065731943 /nfs/dbraw/zinc/73/19/43/1065731943.db2.gz VANMOPYMUAVANK-PMACEKPBSA-N 0 3 454.619 2.877 20 0 JFADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2C)CC1 ZINC001293082845 1065732754 /nfs/dbraw/zinc/73/27/54/1065732754.db2.gz YDJLVKJFQDDYFQ-UHFFFAOYSA-N 0 3 451.493 2.826 20 0 JFADHN CCc1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1ccc(OC)c(Br)c1 ZINC001293086877 1065736412 /nfs/dbraw/zinc/73/64/12/1065736412.db2.gz PQSCRPFTTKLGSU-UHFFFAOYSA-N 0 3 493.450 2.650 20 0 JFADHN CCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCc1ccc(OC)c(OC)c1OC ZINC001293116066 1065762560 /nfs/dbraw/zinc/76/25/60/1065762560.db2.gz IYLHMXXQKUAVLS-GOSISDBHSA-N 0 3 473.618 2.799 20 0 JFADHN CCc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001293119616 1065767568 /nfs/dbraw/zinc/76/75/68/1065767568.db2.gz LMICBISDVOIRTL-JTHBVZDNSA-N 0 3 467.662 2.666 20 0 JFADHN CCc1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1C[C@H](c1ccco1)N(CC)CC ZINC001293120325 1065769686 /nfs/dbraw/zinc/76/96/86/1065769686.db2.gz QMSMMSHADVKMDO-OAQYLSRUSA-N 0 3 471.650 2.651 20 0 JFADHN CCc1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001293130897 1065782247 /nfs/dbraw/zinc/78/22/47/1065782247.db2.gz KWTGQJVYQHWVOD-GOSISDBHSA-N 0 3 450.628 2.550 20 0 JFADHN CCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1ccc(OC)c(Br)c1 ZINC001293132748 1065784931 /nfs/dbraw/zinc/78/49/31/1065784931.db2.gz YNIMWAKTISONBT-QGZVFWFLSA-N 0 3 464.408 2.818 20 0 JFADHN CCc1noc(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001293188706 1065813556 /nfs/dbraw/zinc/81/35/56/1065813556.db2.gz MXRKBYVYNBXRCK-JKSUJKDBSA-N 0 3 452.563 2.751 20 0 JFADHN CCc1noc(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001293188704 1065813640 /nfs/dbraw/zinc/81/36/40/1065813640.db2.gz MXRKBYVYNBXRCK-HOTGVXAUSA-N 0 3 452.563 2.751 20 0 JFADHN CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCC[C@@H](C)C1 ZINC001293214577 1065848153 /nfs/dbraw/zinc/84/81/53/1065848153.db2.gz ABMLLMORUNVGFE-DYESRHJHSA-N 0 3 467.618 2.594 20 0 JFADHN CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCN(CC)CC1 ZINC001293250077 1065915176 /nfs/dbraw/zinc/91/51/76/1065915176.db2.gz FTGHBTREXHLSGL-VQTJNVASSA-N 0 3 454.623 2.578 20 0 JFADHN CC[C@@H]1C[C@H](C)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc2C1 ZINC001293298504 1065939306 /nfs/dbraw/zinc/93/93/06/1065939306.db2.gz QRRBQYPBJVYTOQ-CNNODRBYSA-N 0 3 474.675 2.962 20 0 JFADHN CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001293329583 1065951055 /nfs/dbraw/zinc/95/10/55/1065951055.db2.gz IGCQRBKACODTKG-CUUWFGFTSA-N 0 3 476.666 2.570 20 0 JFADHN CC[C@H]1CCCCN1CCn1c(COc2ccccc2OC)nnc1N1CCS(=O)CC1 ZINC001293379502 1065984164 /nfs/dbraw/zinc/98/41/64/1065984164.db2.gz QXJRSNOFRKKDRB-IBGZPJMESA-N 0 3 461.632 2.699 20 0 JFADHN Cc1cccc(N2CCN(CCC(=O)Nc3cc(C(=O)N4CCOCC4)ccc3C)CC2)c1 ZINC001293443585 1066008780 /nfs/dbraw/zinc/00/87/80/1066008780.db2.gz WZLKLORLZPCIIC-UHFFFAOYSA-N 0 3 450.583 2.927 20 0 JFADHN CCC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(C)CCOC)CC1 ZINC001293486222 1066023765 /nfs/dbraw/zinc/02/37/65/1066023765.db2.gz XJQIWRUTBFKZLV-FQEVSTJZSA-N 0 3 480.654 2.791 20 0 JFADHN CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCN2CCc3ccccc3C2)C[C@H](C)O1 ZINC001293511365 1066037323 /nfs/dbraw/zinc/03/73/23/1066037323.db2.gz VUNBYIHAQXBXNV-SIKLNZKXSA-N 0 3 454.619 2.868 20 0 JFADHN CC[C@@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)N2CCN(CC)CC2)C[C@@H](C)O1 ZINC001293540122 1066059283 /nfs/dbraw/zinc/05/92/83/1066059283.db2.gz LXEXICBVLCOJCF-KCZVDYSFSA-N 0 3 486.661 2.992 20 0 JFADHN CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](C(C)C)N2CCOCC2)CCN1CCOC ZINC001293560322 1066074629 /nfs/dbraw/zinc/07/46/29/1066074629.db2.gz JEIJEMKZENBGDH-RPWUZVMVSA-N 0 3 470.662 2.849 20 0 JFADHN CC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@H](C(C)C)N2CCOCC2)CCN1CCOC ZINC001293560317 1066074702 /nfs/dbraw/zinc/07/47/02/1066074702.db2.gz JEIJEMKZENBGDH-BJKOFHAPSA-N 0 3 470.662 2.849 20 0 JFADHN CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CCN2CCOCC2(C)C)CCN1CCOC ZINC001293566937 1066080159 /nfs/dbraw/zinc/08/01/59/1066080159.db2.gz XKGOYKNBNDHPIB-JOCHJYFZSA-N 0 3 470.662 2.911 20 0 JFADHN CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)CCS1 ZINC001293594858 1066102537 /nfs/dbraw/zinc/10/25/37/1066102537.db2.gz PKRXMAFBOGVEMH-ROUUACIJSA-N 0 3 455.694 2.777 20 0 JFADHN CC[C@@H]1CN(c2nnc(CC(C)C)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC001293606048 1066121920 /nfs/dbraw/zinc/12/19/20/1066121920.db2.gz FHJOQJUBXHFEFO-GPJHCHHRSA-N 0 3 462.683 2.523 20 0 JFADHN CC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001293643418 1066158834 /nfs/dbraw/zinc/15/88/34/1066158834.db2.gz DRYLVMUPKQFOGV-HXUWFJFHSA-N 0 3 460.598 2.637 20 0 JFADHN CC[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001293643417 1066158903 /nfs/dbraw/zinc/15/89/03/1066158903.db2.gz DRYLVMUPKQFOGV-FQEVSTJZSA-N 0 3 460.598 2.637 20 0 JFADHN CCCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCc3ccccc3C2)C1 ZINC001293735490 1066193300 /nfs/dbraw/zinc/19/33/00/1066193300.db2.gz FFWSDSJJBHCGBC-HSZRJFAPSA-N 0 3 495.672 2.750 20 0 JFADHN CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001293747797 1066217593 /nfs/dbraw/zinc/21/75/93/1066217593.db2.gz CSYVPUVDJAAUAN-QUCCMNQESA-N 0 3 468.631 2.985 20 0 JFADHN O=C(CCCN1CCN(c2ccccc2)CC1)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC001293766104 1066254915 /nfs/dbraw/zinc/25/49/15/1066254915.db2.gz DWFMPHJCBDAUCT-VWLOTQADSA-N 0 3 450.627 2.649 20 0 JFADHN CCC[C@@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001293798255 1066308946 /nfs/dbraw/zinc/30/89/46/1066308946.db2.gz QLHAORSXFRKGTR-AREMUKBSSA-N 0 3 484.645 2.999 20 0 JFADHN CCC[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001293801814 1066312602 /nfs/dbraw/zinc/31/26/02/1066312602.db2.gz LWQQHMZGXAIVEN-IERDGZPVSA-N 0 3 481.439 2.745 20 0 JFADHN CCC[C@@](C)(O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C2CCOCC2)CC1 ZINC001293837303 1066342462 /nfs/dbraw/zinc/34/24/62/1066342462.db2.gz SVILAEQRCHBVDL-RUZDIDTESA-N 0 3 473.618 2.718 20 0 JFADHN C[C@H]1Oc2ccccc2N(CCC(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1=O ZINC001293845255 1066347853 /nfs/dbraw/zinc/34/78/53/1066347853.db2.gz LHIFSQYNXWTPEO-GOSISDBHSA-N 0 3 455.530 2.989 20 0 JFADHN CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001293861743 1066370916 /nfs/dbraw/zinc/37/09/16/1066370916.db2.gz GOXNUKFIKGNGCR-ZRBLBEILSA-N 0 3 489.709 2.677 20 0 JFADHN CCC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)OC ZINC001293960011 1066458530 /nfs/dbraw/zinc/45/85/30/1066458530.db2.gz APJDEZLCYQORFU-YADHBBJMSA-N 0 3 470.618 2.512 20 0 JFADHN CCC[C@H]1CN(c2nnc(C)n2Cc2cccnc2OCC(F)(F)F)CCN1CCOC ZINC001294060169 1066532747 /nfs/dbraw/zinc/53/27/47/1066532747.db2.gz CGYZJXJYFDFKTM-SFHVURJKSA-N 0 3 456.513 2.908 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccccc3)n2CCC2(O)CCOCC2)CCN1CCOC ZINC001294067018 1066537229 /nfs/dbraw/zinc/53/72/29/1066537229.db2.gz LSKWLFQGKMGXJZ-QFIPXVFZSA-N 0 3 457.619 2.814 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2Cc2cnn(C)c2C)CCN1CCOC ZINC001294067279 1066537770 /nfs/dbraw/zinc/53/77/70/1066537770.db2.gz HJLQMVNLGKUJCX-JOCHJYFZSA-N 0 3 467.618 2.981 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2ccco2)CCN1CCOC ZINC001294072592 1066541705 /nfs/dbraw/zinc/54/17/05/1066541705.db2.gz HCUUYLNZYMLARA-CYFREDJKSA-N 0 3 454.575 2.778 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CCN2CCOC[C@@H]2C)CCN1CCOC ZINC001294073140 1066542546 /nfs/dbraw/zinc/54/25/46/1066542546.db2.gz KJQZMWDJXICIKI-SFTDATJTSA-N 0 3 474.625 2.742 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCSC2)CCN1CCOC ZINC001294074357 1066543033 /nfs/dbraw/zinc/54/30/33/1066543033.db2.gz RMEKSDJIEPGPKT-CYFREDJKSA-N 0 3 475.659 2.759 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCSC2)CCN1CCOC ZINC001294074358 1066543066 /nfs/dbraw/zinc/54/30/66/1066543066.db2.gz RMEKSDJIEPGPKT-DVECYGJZSA-N 0 3 475.659 2.759 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2Cc2nncn2CC)CCN1CCOC ZINC001294074523 1066543444 /nfs/dbraw/zinc/54/34/44/1066543444.db2.gz RZNIVLAHYOHKFT-SFHVURJKSA-N 0 3 456.570 2.681 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@]2(OC)CCOC2)CCN1CCOC ZINC001294074582 1066543661 /nfs/dbraw/zinc/54/36/61/1066543661.db2.gz TZDFAYXOLVONJK-NTKDMRAZSA-N 0 3 461.582 2.827 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)cc2F)CCN1CCOC ZINC001294076486 1066545519 /nfs/dbraw/zinc/54/55/19/1066545519.db2.gz JMYSIXHKBZZINZ-HXUWFJFHSA-N 0 3 459.545 2.942 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@H]2CC(F)(F)CO2)CCN1CCOC ZINC001294076805 1066545965 /nfs/dbraw/zinc/54/59/65/1066545965.db2.gz LISXMOOJQALOPQ-RBUKOAKNSA-N 0 3 450.534 2.701 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@@H]2CC(F)(F)CO2)CCN1CCOC ZINC001294076804 1066546010 /nfs/dbraw/zinc/54/60/10/1066546010.db2.gz LISXMOOJQALOPQ-OALUTQOASA-N 0 3 450.534 2.701 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2nc(C)c(C)s2)CCN1CCOC ZINC001294077380 1066546325 /nfs/dbraw/zinc/54/63/25/1066546325.db2.gz OISBZPQWZCUOHF-SFHVURJKSA-N 0 3 456.620 2.794 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2cnccc2OC)CCN1CCOC ZINC001294077876 1066547481 /nfs/dbraw/zinc/54/74/81/1066547481.db2.gz SZYHRQLURPAIKV-NRFANRHFSA-N 0 3 451.575 2.729 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2ccccc2)CCN1CCOC ZINC001294078065 1066547931 /nfs/dbraw/zinc/54/79/31/1066547931.db2.gz VKJPLQFAAIMWPR-OFVILXPXSA-N 0 3 465.602 2.580 20 0 JFADHN CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2cnccc2OC)CCN1CCOC ZINC001294082432 1066551439 /nfs/dbraw/zinc/55/14/39/1066551439.db2.gz REKFVFBIBVNCHH-TZIWHRDSSA-N 0 3 458.607 2.561 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2nnc(C)s2)CCN1CCOC ZINC001294082497 1066551478 /nfs/dbraw/zinc/55/14/78/1066551478.db2.gz KSFGXINHVVHRIU-GOSISDBHSA-N 0 3 456.620 2.794 20 0 JFADHN CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCOC[C@H]2OC)CCN1CCOC ZINC001294087544 1066559486 /nfs/dbraw/zinc/55/94/86/1066559486.db2.gz UEYKPINVXBJYOR-NJDAHSKKSA-N 0 3 451.656 2.855 20 0 JFADHN COC(=O)[C@H]1CNCCN1C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccc(Cl)cc1 ZINC001164630246 719134716 /nfs/dbraw/zinc/13/47/16/719134716.db2.gz HVYNMSAOOXXZDH-CQSZACIVSA-N 0 3 475.279 2.637 20 0 JFADHN CN(C)C(=O)CN1CC[C@@]2(CN(c3ccc(CN(C)C4CC4)cn3)C[C@H]2c2ccccc2)C1=O ZINC001164635945 719143911 /nfs/dbraw/zinc/14/39/11/719143911.db2.gz XSEVHCNBKTZTAN-HOFKKMOUSA-N 0 3 461.610 2.587 20 0 JFADHN CN(C)C(=O)CN1CC[C@]2(CN(c3ccc(CN4CCCC4)cn3)C[C@H]2c2ccccc2)C1=O ZINC001164632995 719144076 /nfs/dbraw/zinc/14/40/76/719144076.db2.gz QSNBPZLTWUHUCE-WNCULLNHSA-N 0 3 461.610 2.588 20 0 JFADHN COCCOc1cc2ncnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2cc1OCCOC ZINC001164727774 720350364 /nfs/dbraw/zinc/35/03/64/720350364.db2.gz UNDHFQUMOAEWID-XZOQPEGZSA-N 0 3 479.581 2.928 20 0 JFADHN O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc21 ZINC001164729316 720428028 /nfs/dbraw/zinc/42/80/28/720428028.db2.gz GWQGTYONFRENCA-YADHBBJMSA-N 0 3 460.563 2.917 20 0 JFADHN O=C(NCc1ccccc1)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164745085 720648309 /nfs/dbraw/zinc/64/83/09/720648309.db2.gz UIEONOFOVKDLGE-UXHICEINSA-N 0 3 464.957 2.797 20 0 JFADHN CCOC(=O)c1ccc2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164737481 720752969 /nfs/dbraw/zinc/75/29/69/720752969.db2.gz BVUDTDBCTXSXIA-JKSUJKDBSA-N 0 3 454.918 2.592 20 0 JFADHN CS(=O)(=O)c1nc(Cl)cc(N2CC[C@]3(CN(CC4CC4)C[C@H]3COCc3cccnc3)C2)n1 ZINC001164755732 720868549 /nfs/dbraw/zinc/86/85/49/720868549.db2.gz YJLAIRNQNCEQHL-CVDCTZTESA-N 0 3 492.045 2.684 20 0 JFADHN CS(=O)(=O)c1ccc(N2CC[C@@]3(CN(CC4CC4)C[C@H]3COCc3cccnc3)C2)nc1 ZINC001164752365 720905556 /nfs/dbraw/zinc/90/55/56/720905556.db2.gz NYHWAQQGDJQLJM-XUZZJYLKSA-N 0 3 456.612 2.635 20 0 JFADHN COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867316 721120323 /nfs/dbraw/zinc/12/03/23/721120323.db2.gz XUGCGTYXGXLTTE-RBUKOAKNSA-N 0 3 467.570 2.728 20 0 JFADHN COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867317 721121118 /nfs/dbraw/zinc/12/11/18/721121118.db2.gz XUGCGTYXGXLTTE-RTBURBONSA-N 0 3 467.570 2.728 20 0 JFADHN CN(C)C(=O)c1cc2cnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nc2n1C1CCCC1 ZINC001164764910 721135359 /nfs/dbraw/zinc/13/53/59/721135359.db2.gz ILPXPPMRRVBFMX-PZJWPPBQSA-N 0 3 476.629 2.940 20 0 JFADHN c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CCN3C2)c1 ZINC001164875308 721171207 /nfs/dbraw/zinc/17/12/07/721171207.db2.gz KUBDBZBLSFLAAM-DQEYMECFSA-N 0 3 472.593 2.855 20 0 JFADHN COc1ccc(Cn2cc3[nH]c(N4C[C@H]5CCN(Cc6cnn(C)c6)C[C@H]5C4)ccc-3c2=O)cc1 ZINC001164769342 721190567 /nfs/dbraw/zinc/19/05/67/721190567.db2.gz MCNKAHZHGLGORL-YADHBBJMSA-N 0 3 472.593 2.938 20 0 JFADHN COc1ccc(-c2ccc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)nn2)c(OC)c1OC ZINC001164765539 721227437 /nfs/dbraw/zinc/22/74/37/721227437.db2.gz RWJPBVOTOMPXEZ-RTBURBONSA-N 0 3 464.570 2.861 20 0 JFADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c4ccn5COC(=O)C(C)(C)C)C3)O2)CC1 ZINC001164891988 721412319 /nfs/dbraw/zinc/41/23/19/721412319.db2.gz XUAZNJVZHRVJOF-FNZWTVRRSA-N 0 3 484.645 2.744 20 0 JFADHN c1csc(N2[C@H](Cn3cncn3)C[C@H]3CN(c4ccc(CN5CCCC5)cn4)CC[C@@H]32)n1 ZINC001164899929 721494912 /nfs/dbraw/zinc/49/49/12/721494912.db2.gz MJQDECWAVVZBMU-ACRUOGEOSA-N 0 3 450.616 2.899 20 0 JFADHN CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164904671 721541708 /nfs/dbraw/zinc/54/17/08/721541708.db2.gz FXRNUNGTGPYYSU-DOTOQJQBSA-N 0 3 474.924 2.524 20 0 JFADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CCN3C2)c1 ZINC001164904631 721552759 /nfs/dbraw/zinc/55/27/59/721552759.db2.gz DZJVINFESPGYLA-TZIWHRDSSA-N 0 3 453.566 2.553 20 0 JFADHN CC(C)CCNS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164905312 721555939 /nfs/dbraw/zinc/55/59/39/721555939.db2.gz GPZDICCDHXSRTE-PZJWPPBQSA-N 0 3 462.591 2.887 20 0 JFADHN O=C1CCC(=O)N1Cc1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164908947 721714694 /nfs/dbraw/zinc/71/46/94/721714694.db2.gz ZUORQZXTDOEQHY-HSZRJFAPSA-N 0 3 455.509 2.863 20 0 JFADHN CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983937 722105327 /nfs/dbraw/zinc/10/53/27/722105327.db2.gz RHJUFUFWUZLVCE-DLBZAZTESA-N 0 3 452.937 2.863 20 0 JFADHN Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982701 722125178 /nfs/dbraw/zinc/12/51/78/722125178.db2.gz XSOPVADRLWCLLK-ROUUACIJSA-N 0 3 479.412 2.742 20 0 JFADHN CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164974197 722144166 /nfs/dbraw/zinc/14/41/66/722144166.db2.gz 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CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3Cc3nccc(C(F)F)n3)C[C@@H]2C)CC1 ZINC001286871704 1061274783 /nfs/dbraw/zinc/27/47/83/1061274783.db2.gz PDARXRGLFHPRIW-FXAWDEMLSA-N 0 3 490.603 2.631 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3Cc3nccc(C(F)F)n3)C[C@H]2C)CC1 ZINC001286871707 1061274982 /nfs/dbraw/zinc/27/49/82/1061274982.db2.gz PDARXRGLFHPRIW-YLJYHZDGSA-N 0 3 490.603 2.631 20 0 JFADHN CC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001286872827 1061281992 /nfs/dbraw/zinc/28/19/92/1061281992.db2.gz ULQJOFREDPUQSU-JYFHCDHNSA-N 0 3 484.645 2.599 20 0 JFADHN Cc1ccc(CNC(=O)C2CCN(c3nnc(C(=O)NC(C)C)n3CCN3CCC[C@H]3C)CC2)cc1 ZINC001289700604 1061312704 /nfs/dbraw/zinc/31/27/04/1061312704.db2.gz VWGCFOOFDYROOJ-OAQYLSRUSA-N 0 3 495.672 2.742 20 0 JFADHN Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3(N(C)C)CCSC3)CC2)cc1C ZINC001289714919 1061322561 /nfs/dbraw/zinc/32/25/61/1061322561.db2.gz LWVCEEDKNOIRHU-RUZDIDTESA-N 0 3 485.702 2.797 20 0 JFADHN CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)cc1 ZINC001286895678 1061376128 /nfs/dbraw/zinc/37/61/28/1061376128.db2.gz YOGBNEQFVULYNB-CPJSRVTESA-N 0 3 495.672 2.862 20 0 JFADHN Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C(C)C)N2CCCC2)cc1 ZINC001289809197 1061452469 /nfs/dbraw/zinc/45/24/69/1061452469.db2.gz OJSHWMHJQRYXHU-FGZHOGPDSA-N 0 3 475.659 2.909 20 0 JFADHN Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC(C)(C)CN(C)C)cc1 ZINC001289817672 1061472105 /nfs/dbraw/zinc/47/21/05/1061472105.db2.gz CBHUJORIHILZNX-FQEVSTJZSA-N 0 3 463.648 2.767 20 0 JFADHN CC(=O)NC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN(C)Cc2ccccc2)CC1 ZINC001286916669 1061500889 /nfs/dbraw/zinc/50/08/89/1061500889.db2.gz PVDGEKIPWYHRPI-AREMUKBSSA-N 0 3 484.645 2.556 20 0 JFADHN CC(=O)NC[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC001286921670 1061518846 /nfs/dbraw/zinc/51/88/46/1061518846.db2.gz IQMLTNFUGYSENQ-VWNXMTODSA-N 0 3 495.672 2.914 20 0 JFADHN CC(=O)NC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001286928088 1061546245 /nfs/dbraw/zinc/54/62/45/1061546245.db2.gz KTEVNGNVVAVXAT-QPPBQGQZSA-N 0 3 496.635 2.934 20 0 JFADHN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC001294100815 1061581237 /nfs/dbraw/zinc/58/12/37/1061581237.db2.gz FKBGURPMFYQKBQ-DEOSSOPVSA-N 0 3 452.530 2.950 20 0 JFADHN CC(=O)Nc1ccc(F)c(C(=O)N2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)c1 ZINC001294104065 1061583888 /nfs/dbraw/zinc/58/38/88/1061583888.db2.gz YUOQCXVIFFSWSN-UHFFFAOYSA-N 0 3 454.546 2.885 20 0 JFADHN Cc1cccc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@H](C)N2CCN(c3ccccc3)CC2)n1 ZINC001289908206 1061596942 /nfs/dbraw/zinc/59/69/42/1061596942.db2.gz FAGUBMDVMHPUCF-SFTDATJTSA-N 0 3 476.629 2.559 20 0 JFADHN CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001294121418 1061602409 /nfs/dbraw/zinc/60/24/09/1061602409.db2.gz WSXCQPDHNFLRIE-QFIPXVFZSA-N 0 3 470.618 2.895 20 0 JFADHN CC(=O)NCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001286947511 1061647772 /nfs/dbraw/zinc/64/77/72/1061647772.db2.gz ZAJUDVIRMIXSMY-FYYLOGMGSA-N 0 3 484.645 2.720 20 0 JFADHN Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H](c2cccc(F)c2)N(C)C)n1 ZINC001289965830 1061671791 /nfs/dbraw/zinc/67/17/91/1061671791.db2.gz UFPABOSJFVLDQP-NQIIRXRSSA-N 0 3 451.550 2.792 20 0 JFADHN Cc1cccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2CCSC(F)(F)F)n1 ZINC001289980354 1061701718 /nfs/dbraw/zinc/70/17/18/1061701718.db2.gz WKQQDZHWIGNICX-KRWDZBQOSA-N 0 3 483.564 2.644 20 0 JFADHN Cc1nccn1CCCn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC(C)C)CC1 ZINC001289985407 1061709832 /nfs/dbraw/zinc/70/98/32/1061709832.db2.gz KRJXICRQTODLSS-UHFFFAOYSA-N 0 3 452.607 2.791 20 0 JFADHN CCCCN(C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001294213995 1061721701 /nfs/dbraw/zinc/72/17/01/1061721701.db2.gz FJWNOUZBGWFDMP-MRXNPFEDSA-N 0 3 487.468 2.781 20 0 JFADHN CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@H](C(N)=O)C2)CCN(Cc2ccccc2)CC1 ZINC001290051442 1061769049 /nfs/dbraw/zinc/76/90/49/1061769049.db2.gz VHWARFLMEHBLLW-FQEVSTJZSA-N 0 3 458.603 2.660 20 0 JFADHN CC(C)(C)C(=O)NCCn1c(CCOc2ccccc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001286986652 1061864858 /nfs/dbraw/zinc/86/48/58/1061864858.db2.gz RXYTUVAXGVXVDP-UHFFFAOYSA-N 0 3 456.635 2.982 20 0 JFADHN Cc1ccccc1Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1CCCNC(=O)C(C)C ZINC001290177105 1061925936 /nfs/dbraw/zinc/92/59/36/1061925936.db2.gz SJTJVSATUJLCDZ-UHFFFAOYSA-N 0 3 482.673 2.888 20 0 JFADHN CC(C)(C)c1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1CCN1CCSCC1 ZINC001287010569 1061941608 /nfs/dbraw/zinc/94/16/08/1061941608.db2.gz MLRZQYVIZKNKHQ-UHFFFAOYSA-N 0 3 478.629 2.715 20 0 JFADHN CCCCOc1ccc(Cn2c(C)nnc2N2CCN(C(=O)CN3CCCC3)CC2)cc1OC ZINC001294374714 1061948411 /nfs/dbraw/zinc/94/84/11/1061948411.db2.gz SFEYZASHUDVROX-UHFFFAOYSA-N 0 3 470.618 2.567 20 0 JFADHN CCCCOc1ncccc1Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001294377476 1061950908 /nfs/dbraw/zinc/95/09/08/1061950908.db2.gz RTZMNQZEQQAYNS-NRFANRHFSA-N 0 3 469.634 2.767 20 0 JFADHN CCCCOc1ncccc1Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001294377479 1061951110 /nfs/dbraw/zinc/95/11/10/1061951110.db2.gz RTZMNQZEQQAYNS-OAQYLSRUSA-N 0 3 469.634 2.767 20 0 JFADHN CCCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001294382619 1061955738 /nfs/dbraw/zinc/95/57/38/1061955738.db2.gz PKSDOCYOPCEKMJ-IBGZPJMESA-N 0 3 455.607 2.772 20 0 JFADHN CC(C)(C)Cc1nnc(N2CCC(CN3CCOCC3)CC2)n1CCCNC(=O)c1cccc(O)c1 ZINC001287023578 1061964973 /nfs/dbraw/zinc/96/49/73/1061964973.db2.gz CZKOLXMKSBWGMJ-UHFFFAOYSA-N 0 3 498.672 2.941 20 0 JFADHN CC(C)(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001287030065 1061979668 /nfs/dbraw/zinc/97/96/68/1061979668.db2.gz IPAMUMXJXPSDRF-FCHUYYIVSA-N 0 3 468.646 2.860 20 0 JFADHN C[C@@H]1CN(CCCCNC(=O)C2=NO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C[C@H](C)O1 ZINC001294414288 1061979938 /nfs/dbraw/zinc/97/99/38/1061979938.db2.gz JPVZEZIWQKRCTK-IXFSTUDKSA-N 0 3 452.596 2.538 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2ccco2)CC1 ZINC001287041187 1062008106 /nfs/dbraw/zinc/00/81/06/1062008106.db2.gz HDTPIKZIAQYBJR-UHFFFAOYSA-N 0 3 465.602 2.845 20 0 JFADHN CC(C)(C)CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)C2CC2)CC1 ZINC001287041121 1062008155 /nfs/dbraw/zinc/00/81/55/1062008155.db2.gz FJNJGKPVQBAIHN-XMMPIXPASA-N 0 3 474.675 2.989 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(-c3ccccn3)n2CCn2cc(Br)cn2)CC1 ZINC001287043283 1062014546 /nfs/dbraw/zinc/01/45/46/1062014546.db2.gz WTJZHXFFRMJWAL-UHFFFAOYSA-N 0 3 459.396 2.920 20 0 JFADHN CC(C)(C)N1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001287043464 1062015405 /nfs/dbraw/zinc/01/54/05/1062015405.db2.gz DQDOLJROFOXUAQ-FQEVSTJZSA-N 0 3 475.659 2.739 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCOCC2(C)C)CC1 ZINC001287043795 1062016496 /nfs/dbraw/zinc/01/64/96/1062016496.db2.gz LVTUWKBAYAOPER-UHFFFAOYSA-N 0 3 470.662 2.931 20 0 JFADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)NCc2ccccc2)CC1 ZINC001287043576 1062016542 /nfs/dbraw/zinc/01/65/42/1062016542.db2.gz IEZXJRIPCOTLTP-OAQYLSRUSA-N 0 3 454.619 2.799 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)N2CCCCCC2)CC1 ZINC001287044130 1062018290 /nfs/dbraw/zinc/01/82/90/1062018290.db2.gz QRQXHQAVCFDMMK-UHFFFAOYSA-N 0 3 453.635 2.977 20 0 JFADHN COC(=O)c1ccsc1N1CC[C@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1=O ZINC001294480490 1062030923 /nfs/dbraw/zinc/03/09/23/1062030923.db2.gz FXWTVGSSCOMSNL-LPHOPBHVSA-N 0 3 459.543 2.808 20 0 JFADHN CC(C)OCCN1CCC(NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC001294503883 1062039480 /nfs/dbraw/zinc/03/94/80/1062039480.db2.gz WPLTUZDRGMDNIJ-QGZVFWFLSA-N 0 3 452.393 2.808 20 0 JFADHN CCCN(CC)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001294521518 1062057328 /nfs/dbraw/zinc/05/73/28/1062057328.db2.gz CRBVLWJTUHRHSA-QHCPKHFHSA-N 0 3 463.623 2.755 20 0 JFADHN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001287052817 1062057297 /nfs/dbraw/zinc/05/72/97/1062057297.db2.gz DRCWJOBSCNJHJX-ZCNNSNEGSA-N 0 3 492.665 2.811 20 0 JFADHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001294523173 1062059554 /nfs/dbraw/zinc/05/95/54/1062059554.db2.gz XIDXTZHSDCLOIJ-VXKWHMMOSA-N 0 3 459.660 2.981 20 0 JFADHN Cc1csc(N2CCN(c3nnc(C(C)(C)C)n3CCCN3CCC[C@@H]3C(=O)N(C)C)CC2)n1 ZINC001290354375 1062066049 /nfs/dbraw/zinc/06/60/49/1062066049.db2.gz RMBGBAYDYIMDOX-LJQANCHMSA-N 0 3 488.706 2.610 20 0 JFADHN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H]2CCC(=O)N2)C1 ZINC001287055821 1062072546 /nfs/dbraw/zinc/07/25/46/1062072546.db2.gz YPTFZEVYXKXUKO-RTBURBONSA-N 0 3 489.665 2.592 20 0 JFADHN CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H]2CCC(=O)N2)C1 ZINC001287055819 1062072681 /nfs/dbraw/zinc/07/26/81/1062072681.db2.gz YPTFZEVYXKXUKO-RBUKOAKNSA-N 0 3 489.665 2.592 20 0 JFADHN CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001294635589 1062147599 /nfs/dbraw/zinc/14/75/99/1062147599.db2.gz BGTXRQNZUBOJED-RBUKOAKNSA-N 0 3 475.638 2.503 20 0 JFADHN Cc1nc(Cc2nnc(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)n2CCOCC(F)F)cs1 ZINC001290417820 1062147419 /nfs/dbraw/zinc/14/74/19/1062147419.db2.gz TXHJJBBVRHOOCI-LJQANCHMSA-N 0 3 483.633 2.520 20 0 JFADHN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN2CC=CCC2)C1 ZINC001287072181 1062206153 /nfs/dbraw/zinc/20/61/53/1062206153.db2.gz SUQHFWIRJCUZLP-HXUWFJFHSA-N 0 3 453.591 2.629 20 0 JFADHN Cc1nc(Cc2nnc(N3CCSC[C@H]3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cs1 ZINC001290440874 1062211077 /nfs/dbraw/zinc/21/10/77/1062211077.db2.gz YMRCIEVLQUABKZ-VQIMIIECSA-N 0 3 477.704 2.518 20 0 JFADHN Cc1nc(Cc2nnc(N3CCSC[C@@H]3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)cs1 ZINC001290440870 1062211262 /nfs/dbraw/zinc/21/12/62/1062211262.db2.gz YMRCIEVLQUABKZ-LPHOPBHVSA-N 0 3 477.704 2.518 20 0 JFADHN CCCN1CC[C@@H](Cn2c(COc3cc(C)ccc3C)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001294670351 1062227823 /nfs/dbraw/zinc/22/78/23/1062227823.db2.gz SMKLCANDIYSGOB-RTWAWAEBSA-N 0 3 475.659 2.829 20 0 JFADHN CCCN1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([S@](C)=O)CCC2)CC1 ZINC001294675014 1062235833 /nfs/dbraw/zinc/23/58/33/1062235833.db2.gz DJSGGMNGXZMRAG-RBBQXQBVSA-N 0 3 481.707 2.931 20 0 JFADHN CCCN1CCC(N(C)c2nnc([C@@H]3COc4ccccc4O3)n2CC[S@](=O)CC)CC1 ZINC001294684167 1062243908 /nfs/dbraw/zinc/24/39/08/1062243908.db2.gz SWQNNHOTLCGXCG-GFJKYASSSA-N 0 3 461.632 2.870 20 0 JFADHN CCCN1CCCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)CCS(C)(=O)=O ZINC001294695883 1062257150 /nfs/dbraw/zinc/25/71/50/1062257150.db2.gz ARCKCNGZMRBCBT-FQEVSTJZSA-N 0 3 491.658 2.852 20 0 JFADHN CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCOC3)n2CCN(C)Cc2ccccc2)CC1 ZINC001287108739 1062320496 /nfs/dbraw/zinc/32/04/96/1062320496.db2.gz DKZIIENYHBVRTD-JOCHJYFZSA-N 0 3 454.619 2.609 20 0 JFADHN CCN(CC)[C@H](CNC(=O)C1(O)CN(C(=O)OCc2ccccc2)C1)c1cccc(OC)c1 ZINC001290522777 1062323489 /nfs/dbraw/zinc/32/34/89/1062323489.db2.gz DHLOQJYGWSTOFG-JOCHJYFZSA-N 0 3 455.555 2.578 20 0 JFADHN CC(C)C(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001287114023 1062335199 /nfs/dbraw/zinc/33/51/99/1062335199.db2.gz BJNXVTBPRHKNHX-UHFFFAOYSA-N 0 3 495.716 2.784 20 0 JFADHN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)CN(C)C ZINC001290542748 1062344362 /nfs/dbraw/zinc/34/43/62/1062344362.db2.gz WCNRODWCSKXKSV-UHFFFAOYSA-N 0 3 487.674 2.923 20 0 JFADHN CCCn1nc(-c2nnc(N(C)CC)n2CCN2CCN(C)C(C)(C)C2)c2ccccc2c1=O ZINC001294764492 1062353357 /nfs/dbraw/zinc/35/33/57/1062353357.db2.gz LCCOLTAUNGZDRD-UHFFFAOYSA-N 0 3 466.634 2.547 20 0 JFADHN CCCn1nc(-c2nnc(N3C[C@@H](C)N(CC)C[C@@H]3C)n2CC(=O)NC(C)C)c2ccccc2c1=O ZINC001294768367 1062362770 /nfs/dbraw/zinc/36/27/70/1062362770.db2.gz NPYZCRJTZAWZRN-MOPGFXCFSA-N 0 3 494.644 2.509 20 0 JFADHN CCCNC(=O)c1cccc(Cn2c(N3CCN(C(=O)CN4CCCC4)CC3)nnc2C(C)(C)C)c1 ZINC001294780633 1062384197 /nfs/dbraw/zinc/38/41/97/1062384197.db2.gz NDSHDHDQCWKLNA-UHFFFAOYSA-N 0 3 495.672 2.508 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC2(N(C)C)CCCCC2)n1 ZINC001290586682 1062396930 /nfs/dbraw/zinc/39/69/30/1062396930.db2.gz OSDSAUWBCPMBTN-WOJBJXKFSA-N 0 3 479.695 2.662 20 0 JFADHN CC(C)C(=O)NCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001287129161 1062407201 /nfs/dbraw/zinc/40/72/01/1062407201.db2.gz YUUDTEOJLWHWBS-NRFANRHFSA-N 0 3 470.618 2.873 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CC[C@H](CC(C)C)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)n1 ZINC001290624605 1062490303 /nfs/dbraw/zinc/49/03/03/1062490303.db2.gz CVECDNFYLQFZOI-PKTZIBPZSA-N 0 3 484.693 2.955 20 0 JFADHN CC(C)[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001287146280 1062511804 /nfs/dbraw/zinc/51/18/04/1062511804.db2.gz PWOIOYVNNIDZNL-HRAATJIYSA-N 0 3 481.439 2.601 20 0 JFADHN CC(C)[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(C(C)(C)C)CC1 ZINC001287148336 1062516243 /nfs/dbraw/zinc/51/62/43/1062516243.db2.gz MTXJAUYYZALJEI-RUZDIDTESA-N 0 3 467.618 2.520 20 0 JFADHN CCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC001294829322 1062517172 /nfs/dbraw/zinc/51/71/72/1062517172.db2.gz WFWCKJVFRLFYFH-NRFANRHFSA-N 0 3 475.726 2.883 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@H](C)CN2CCCCC2)n1 ZINC001290638327 1062521365 /nfs/dbraw/zinc/52/13/65/1062521365.db2.gz BICKMAXQZRLMJQ-KNQAVFIVSA-N 0 3 491.706 2.665 20 0 JFADHN CC(C)[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001287153243 1062530945 /nfs/dbraw/zinc/53/09/45/1062530945.db2.gz MCAWMZSMPDWDRS-DVECYGJZSA-N 0 3 461.582 2.562 20 0 JFADHN CCCNC(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001294846685 1062542991 /nfs/dbraw/zinc/54/29/91/1062542991.db2.gz UOGFLTMBMGVLLG-KRWDZBQOSA-N 0 3 479.000 2.812 20 0 JFADHN CCCNC(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001294847680 1062546987 /nfs/dbraw/zinc/54/69/87/1062546987.db2.gz WNAKTHZCTWQYPI-MSOLQXFVSA-N 0 3 456.591 2.552 20 0 JFADHN CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CN2CCOCC2)CC1)N1CCOCC1 ZINC001287157989 1062549125 /nfs/dbraw/zinc/54/91/25/1062549125.db2.gz BHXGEHBEYPNDRR-QHCPKHFHSA-N 0 3 476.710 2.772 20 0 JFADHN CC(C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(C(C)(C)C)CC1)N1CCOCC1 ZINC001287159173 1062554939 /nfs/dbraw/zinc/55/49/39/1062554939.db2.gz BKAJPGMPMDVBSJ-JOCHJYFZSA-N 0 3 455.651 2.541 20 0 JFADHN CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)N1CCCC1 ZINC001287163083 1062567098 /nfs/dbraw/zinc/56/70/98/1062567098.db2.gz UIKGVOJWFVRUSL-ZVDOUQERSA-N 0 3 462.664 2.642 20 0 JFADHN CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001287163636 1062571137 /nfs/dbraw/zinc/57/11/37/1062571137.db2.gz XCPQCDLBZCKPFJ-VXKWHMMOSA-N 0 3 474.675 2.788 20 0 JFADHN CCCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001294886644 1062603322 /nfs/dbraw/zinc/60/33/22/1062603322.db2.gz FBUBGZGSMYNXPF-UHFFFAOYSA-N 0 3 464.973 2.565 20 0 JFADHN CC(C)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CCCN1CCCCCC1=O ZINC001287179744 1062604590 /nfs/dbraw/zinc/60/45/90/1062604590.db2.gz RVDUSAGERRJLAS-UHFFFAOYSA-N 0 3 470.666 2.992 20 0 JFADHN CC(C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1CCN1CCN(Cc2ccccc2)CC1 ZINC001287184521 1062610265 /nfs/dbraw/zinc/61/02/65/1062610265.db2.gz RIHQXJOYQGIWKS-PSWAGMNNSA-N 0 3 483.705 2.765 20 0 JFADHN CN1CCN(CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC1 ZINC001290770357 1062687452 /nfs/dbraw/zinc/68/74/52/1062687452.db2.gz ANDLDHWDIIZVCX-QFIPXVFZSA-N 0 3 457.619 2.748 20 0 JFADHN CCCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2CCn2cncn2)cc1OC ZINC001294922609 1062689944 /nfs/dbraw/zinc/68/99/44/1062689944.db2.gz CVFASOBUKZZCTO-OALUTQOASA-N 0 3 468.606 2.953 20 0 JFADHN Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1Cc1ccc(I)cc1 ZINC001290798059 1062702928 /nfs/dbraw/zinc/70/29/28/1062702928.db2.gz QMLTXAOJESSOAU-FQEVSTJZSA-N 0 3 494.425 2.844 20 0 JFADHN Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCCN1CCN(c2ccccc2)CC1 ZINC001290799742 1062704024 /nfs/dbraw/zinc/70/40/24/1062704024.db2.gz DIWHCAWGTABDFJ-UHFFFAOYSA-N 0 3 452.525 2.692 20 0 JFADHN CC(C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001287220650 1062706122 /nfs/dbraw/zinc/70/61/22/1062706122.db2.gz YMMBOWQDWINNSE-ICSRJNTNSA-N 0 3 472.609 2.574 20 0 JFADHN Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3CN(Cc4ccccc4)CCO3)CC2)c1 ZINC001290806800 1062709433 /nfs/dbraw/zinc/70/94/33/1062709433.db2.gz YEIDRICYCDZZGU-AREMUKBSSA-N 0 3 450.627 2.914 20 0 JFADHN CC(C)c1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1CC1([S@@](C)=O)CCC1 ZINC001287224601 1062712418 /nfs/dbraw/zinc/71/24/18/1062712418.db2.gz UPZIKZUNSIKSDX-MGBGTMOVSA-N 0 3 472.703 2.957 20 0 JFADHN CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC001290820087 1062714391 /nfs/dbraw/zinc/71/43/91/1062714391.db2.gz KTSIDSFYKWMYKN-DNQXCXABSA-N 0 3 452.599 2.839 20 0 JFADHN CN1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@@H](c2ccccc2)C1 ZINC001290819209 1062715190 /nfs/dbraw/zinc/71/51/90/1062715190.db2.gz CWUZEUNSESDFMM-AUSIDOKSSA-N 0 3 456.537 2.813 20 0 JFADHN CN1CCN(CCCNC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)[C@@H](c2ccccc2)C1 ZINC001290821176 1062716420 /nfs/dbraw/zinc/71/64/20/1062716420.db2.gz UGHCLZUESGFDCZ-XMMPIXPASA-N 0 3 455.624 2.979 20 0 JFADHN CCCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)(C)C)CC2)cc1 ZINC001294948644 1062734468 /nfs/dbraw/zinc/73/44/68/1062734468.db2.gz DNKQTKLOENRIEV-SFHVURJKSA-N 0 3 478.663 2.646 20 0 JFADHN CCN1CCN(Cc2ccc(NC(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)cc2)CC1 ZINC001290854819 1062738652 /nfs/dbraw/zinc/73/86/52/1062738652.db2.gz YFWUZYNNDMQERA-RUZDIDTESA-N 0 3 455.603 2.653 20 0 JFADHN Cc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001290866953 1062748675 /nfs/dbraw/zinc/74/86/75/1062748675.db2.gz GHHPEYBRVUETBC-KRWDZBQOSA-N 0 3 458.573 2.940 20 0 JFADHN CCN1CCN(CCCNC(=O)[C@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)CC1 ZINC001290867847 1062750718 /nfs/dbraw/zinc/75/07/18/1062750718.db2.gz DOENWFJECMDKQO-QFIPXVFZSA-N 0 3 457.619 2.748 20 0 JFADHN CCN1CCN(CCCNC(=O)[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001290870447 1062756352 /nfs/dbraw/zinc/75/63/52/1062756352.db2.gz SZGRPGYYRVUUQX-AVRDEDQJSA-N 0 3 453.002 2.921 20 0 JFADHN C[C@H](C(=O)Nc1cccc(CN2CCC(CO)CC2)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001294974124 1062758538 /nfs/dbraw/zinc/75/85/38/1062758538.db2.gz PROLINXOAGUUFF-SFHVURJKSA-N 0 3 459.612 2.883 20 0 JFADHN CC(C)[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(F)cc2)N(C)C)CCO1 ZINC001287296170 1062769150 /nfs/dbraw/zinc/76/91/50/1062769150.db2.gz RBCAGNLINVZSQH-LEWJYISDSA-N 0 3 458.582 2.704 20 0 JFADHN CC(C)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(F)cc2)N(C)C)CCO1 ZINC001287296173 1062769195 /nfs/dbraw/zinc/76/91/95/1062769195.db2.gz RBCAGNLINVZSQH-SFTDATJTSA-N 0 3 458.582 2.704 20 0 JFADHN CCn1c(SCC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)nnc1-c1ccco1 ZINC001290916371 1062791274 /nfs/dbraw/zinc/79/12/74/1062791274.db2.gz OAVRRFFAWIMDKW-UHFFFAOYSA-N 0 3 454.600 2.714 20 0 JFADHN CCCS(=O)(=O)NC1CCN(c2nnc(C3CC3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001295014399 1062803297 /nfs/dbraw/zinc/80/32/97/1062803297.db2.gz CDTZGIILSXWMER-GOSISDBHSA-N 0 3 466.677 2.818 20 0 JFADHN CC(C)Cc1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001287373076 1062832512 /nfs/dbraw/zinc/83/25/12/1062832512.db2.gz VAXRZLSSWIUKFA-RTWAWAEBSA-N 0 3 484.645 2.696 20 0 JFADHN CCN(C)C(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001295054561 1062857936 /nfs/dbraw/zinc/85/79/36/1062857936.db2.gz BDJGQCQNBDCRQM-RBUKOAKNSA-N 0 3 488.608 2.725 20 0 JFADHN C[C@@H]1C[C@H](C)CN(C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001291000594 1062895554 /nfs/dbraw/zinc/89/55/54/1062895554.db2.gz VQXZOERDKZBWQY-CEXWTWQISA-N 0 3 467.680 2.552 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC001287464478 1062908535 /nfs/dbraw/zinc/90/85/35/1062908535.db2.gz CACYZLQFXBAIDC-PMACEKPBSA-N 0 3 460.646 2.743 20 0 JFADHN CCN(C)C(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001295083635 1062915886 /nfs/dbraw/zinc/91/58/86/1062915886.db2.gz JFFOSXLTRXHZHC-GOSISDBHSA-N 0 3 491.036 2.678 20 0 JFADHN CC(C)Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001287474980 1062924332 /nfs/dbraw/zinc/92/43/32/1062924332.db2.gz KVDUZUOBEZYGDQ-UHFFFAOYSA-N 0 3 494.619 2.568 20 0 JFADHN CCN(c1nnc(C(C)C)n1C[C@@H]1CCN(CCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295140645 1062958895 /nfs/dbraw/zinc/95/88/95/1062958895.db2.gz CSBQDOCJQZXAJS-YADHBBJMSA-N 0 3 459.660 2.980 20 0 JFADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1csc(I)c1 ZINC001295145928 1062966840 /nfs/dbraw/zinc/96/68/40/1062966840.db2.gz HRJSYPGARFRYCW-JKSUJKDBSA-N 0 3 456.349 2.966 20 0 JFADHN C[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001291048477 1062977702 /nfs/dbraw/zinc/97/77/02/1062977702.db2.gz RUXXDKCXUDGTQT-NPDDRXJXSA-N 0 3 490.674 2.539 20 0 JFADHN CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295166091 1062990276 /nfs/dbraw/zinc/99/02/76/1062990276.db2.gz DGUSHSKLFREICM-HKUYNNGSSA-N 0 3 482.050 2.961 20 0 JFADHN CC(C)NC(=O)Cn1c(N2CCN(C3CCC(C)CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001291061199 1062996326 /nfs/dbraw/zinc/99/63/26/1062996326.db2.gz CLJLDKROXOEGKY-UXIGSVSMSA-N 0 3 476.666 2.544 20 0 JFADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1)C(C)C ZINC001291061946 1062998778 /nfs/dbraw/zinc/99/87/78/1062998778.db2.gz FFAQJPCANSUIHI-OOMBGRCJSA-N 0 3 494.750 3.000 20 0 JFADHN NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001295182512 1063005269 /nfs/dbraw/zinc/00/52/69/1063005269.db2.gz CDNZTKCVVGICCK-FQEVSTJZSA-N 0 3 458.509 2.718 20 0 JFADHN CC(C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001287623654 1063007303 /nfs/dbraw/zinc/00/73/03/1063007303.db2.gz QXBZEJYNXOOMQV-UHFFFAOYSA-N 0 3 460.648 2.864 20 0 JFADHN CC(C)CCOc1ccc(-c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CC(=O)N(C)C)cc1 ZINC001287635569 1063013606 /nfs/dbraw/zinc/01/36/06/1063013606.db2.gz GTCAHMUDPBQSGW-OAQYLSRUSA-N 0 3 484.645 2.617 20 0 JFADHN CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295195959 1063017152 /nfs/dbraw/zinc/01/71/52/1063017152.db2.gz UFHGCUZHZGQTFW-PMACEKPBSA-N 0 3 460.648 2.782 20 0 JFADHN CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295195962 1063017217 /nfs/dbraw/zinc/01/72/17/1063017217.db2.gz UFHGCUZHZGQTFW-WOJBJXKFSA-N 0 3 460.648 2.782 20 0 JFADHN CC(C)CCOC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(N(C)C)CCSC2)CC1 ZINC001287638497 1063017335 /nfs/dbraw/zinc/01/73/35/1063017335.db2.gz DJQHYCYOWBWFRQ-XMMPIXPASA-N 0 3 478.707 2.983 20 0 JFADHN CCN(c1nnc(Cc2csc(C)n2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295235255 1063055162 /nfs/dbraw/zinc/05/51/62/1063055162.db2.gz LTNNBYKLXTWZAP-XLIONFOSSA-N 0 3 480.704 2.912 20 0 JFADHN CCN(c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295243899 1063062983 /nfs/dbraw/zinc/06/29/83/1063062983.db2.gz ICFZOPHOCCRXNO-HXUWFJFHSA-N 0 3 472.659 2.882 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2CC2)CC1 ZINC001287750810 1063075672 /nfs/dbraw/zinc/07/56/72/1063075672.db2.gz OICFFRTUSALUKN-UHFFFAOYSA-N 0 3 460.648 2.774 20 0 JFADHN C[C@H]1CCCN(C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001291102178 1063075775 /nfs/dbraw/zinc/07/57/75/1063075775.db2.gz IOZUOPSVQKZQOX-RBUKOAKNSA-N 0 3 467.680 2.696 20 0 JFADHN C[C@H]1CCCN(C(C)(C)Cn2c(-c3cnccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001291102821 1063078488 /nfs/dbraw/zinc/07/84/88/1063078488.db2.gz TVASCWJJPTVQGC-OALUTQOASA-N 0 3 475.663 2.649 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001287752255 1063080047 /nfs/dbraw/zinc/08/00/47/1063080047.db2.gz WUBGGFBIAAVXEB-PMACEKPBSA-N 0 3 475.659 2.942 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001287753430 1063082781 /nfs/dbraw/zinc/08/27/81/1063082781.db2.gz XWTAPYGUGUSJLE-UHFFFAOYSA-N 0 3 467.039 2.596 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)N(C)Cc2ccccc2)CC1 ZINC001287766593 1063090008 /nfs/dbraw/zinc/09/00/08/1063090008.db2.gz AFRYBCQGLNMQKL-QFIPXVFZSA-N 0 3 454.619 2.956 20 0 JFADHN CC(C)NC(=O)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCC[C@H](C)C1 ZINC001291125759 1063149778 /nfs/dbraw/zinc/14/97/78/1063149778.db2.gz ASSKDPYSRMNKMB-SFHVURJKSA-N 0 3 490.052 2.554 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCO[C@H](CCc3ccccc3)C2)n1CCN1CCC[C@H](C)C1 ZINC001291126423 1063154547 /nfs/dbraw/zinc/15/45/47/1063154547.db2.gz MEBVPPOJVXTSKF-JTHBVZDNSA-N 0 3 468.646 2.986 20 0 JFADHN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1CCN1CCC[C@H](C)C1 ZINC001291126429 1063155737 /nfs/dbraw/zinc/15/57/37/1063155737.db2.gz MHFPTZOGGLULRT-OALUTQOASA-N 0 3 490.674 2.749 20 0 JFADHN C[C@H]1CCCN(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CCC2CCOCC2)C1 ZINC001291126962 1063157866 /nfs/dbraw/zinc/15/78/66/1063157866.db2.gz WKZHGPLOIVBTIO-IBGZPJMESA-N 0 3 455.607 2.910 20 0 JFADHN CCN(CC)C(=O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)cc1 ZINC001295303093 1063163085 /nfs/dbraw/zinc/16/30/85/1063163085.db2.gz QNXZEDIYVJWZBH-NHCUHLMSSA-N 0 3 495.672 2.963 20 0 JFADHN C[C@@H]1CCCN1c1nnc(CCOc2ccccc2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291134567 1063184546 /nfs/dbraw/zinc/18/45/46/1063184546.db2.gz KVSPENDRVIIPTK-IRLDBZIGSA-N 0 3 454.619 2.831 20 0 JFADHN C[C@@H]1CCCN1CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001291136249 1063192035 /nfs/dbraw/zinc/19/20/35/1063192035.db2.gz SZEOATIPCZRQTG-SJORKVTESA-N 0 3 458.529 2.546 20 0 JFADHN CCN(CC)C(=O)CCCn1c(-c2ccccn2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001295318671 1063198731 /nfs/dbraw/zinc/19/87/31/1063198731.db2.gz MCNFATXTCDBQKJ-UHFFFAOYSA-N 0 3 469.634 2.537 20 0 JFADHN C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)N1CCC(C)CC1 ZINC001291140599 1063210422 /nfs/dbraw/zinc/21/04/22/1063210422.db2.gz AVDWFIXAIDFIJB-UXHICEINSA-N 0 3 489.665 2.738 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCN(C)c3ccccc3C2)n1C[C@H](C)N1CCC(C)CC1 ZINC001291141922 1063217405 /nfs/dbraw/zinc/21/74/05/1063217405.db2.gz VNGSDHZKPWTKGQ-FQEVSTJZSA-N 0 3 453.635 2.993 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCN(C)c3ccccc3C2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001291141923 1063217503 /nfs/dbraw/zinc/21/75/03/1063217503.db2.gz VNGSDHZKPWTKGQ-HXUWFJFHSA-N 0 3 453.635 2.993 20 0 JFADHN C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)N1CCC(C)CC1 ZINC001291142147 1063218897 /nfs/dbraw/zinc/21/88/97/1063218897.db2.gz YWDRLEASWLTBPT-RTBURBONSA-N 0 3 485.599 2.707 20 0 JFADHN C[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCN2CCCO)C1 ZINC001291146525 1063231118 /nfs/dbraw/zinc/23/11/18/1063231118.db2.gz GMDWEWUZZPUMMH-FXAWDEMLSA-N 0 3 461.010 2.555 20 0 JFADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001291147534 1063233665 /nfs/dbraw/zinc/23/36/65/1063233665.db2.gz AASHNASUSVGHRZ-ZACQAIPSSA-N 0 3 452.650 2.633 20 0 JFADHN C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C[C@H]1C ZINC001291171750 1063260411 /nfs/dbraw/zinc/26/04/11/1063260411.db2.gz QFUCIVYNLJJVTM-SJBKTWHCSA-N 0 3 453.635 2.689 20 0 JFADHN C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001291177287 1063264883 /nfs/dbraw/zinc/26/48/83/1063264883.db2.gz PYWLTCAYUKUPFZ-UYAOXDASSA-N 0 3 458.582 2.785 20 0 JFADHN CC1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001291181156 1063274190 /nfs/dbraw/zinc/27/41/90/1063274190.db2.gz ZFYMRHGZEMFSEN-UXHICEINSA-N 0 3 467.680 2.696 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CCN1CCC(C)CC1 ZINC001291183168 1063279710 /nfs/dbraw/zinc/27/97/10/1063279710.db2.gz IHGGIDHKHKLYLB-UHFFFAOYSA-N 0 3 499.635 2.640 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCC(Oc3ncccc3F)CC2)n1CCN1CCC(C)CC1 ZINC001291183556 1063280308 /nfs/dbraw/zinc/28/03/08/1063280308.db2.gz WYPKRDIKMPPCQT-UHFFFAOYSA-N 0 3 473.597 2.730 20 0 JFADHN C[C@@H]1CN(C(C)(C)Cn2c(CC3CC3)nnc2N(C)CC(C)(C)CN2CCOCC2)C[C@@H](C)O1 ZINC001291188102 1063300456 /nfs/dbraw/zinc/30/04/56/1063300456.db2.gz FNIJQIATYOFRKH-NHCUHLMSSA-N 0 3 476.710 2.913 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CCOCC1 ZINC001295365413 1063327882 /nfs/dbraw/zinc/32/78/82/1063327882.db2.gz HWWLBANCDRWYQU-SFHVURJKSA-N 0 3 463.648 2.942 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOCC2(CC2)C1 ZINC001295365664 1063328839 /nfs/dbraw/zinc/32/88/39/1063328839.db2.gz IRBZBKTXTKXJTN-SFHVURJKSA-N 0 3 461.632 2.696 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001295369297 1063334246 /nfs/dbraw/zinc/33/42/46/1063334246.db2.gz CMABGKFYJBIAAH-MBSDFSHPSA-N 0 3 461.632 2.699 20 0 JFADHN C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2N(C)CCCC2(C)C)CCN1CC(F)(F)F ZINC001291195918 1063335916 /nfs/dbraw/zinc/33/59/16/1063335916.db2.gz ANXYNNDLTMFEPC-ROUUACIJSA-N 0 3 485.599 2.707 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)CC1 ZINC001295379477 1063350986 /nfs/dbraw/zinc/35/09/86/1063350986.db2.gz LZWQTRPTBNEMLS-SFTDATJTSA-N 0 3 474.675 2.546 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)CC1 ZINC001295379476 1063351191 /nfs/dbraw/zinc/35/11/91/1063351191.db2.gz LZWQTRPTBNEMLS-RTWAWAEBSA-N 0 3 474.675 2.546 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001295379895 1063352483 /nfs/dbraw/zinc/35/24/83/1063352483.db2.gz NJNNDBLBJRJRQX-WBVHZDCISA-N 0 3 455.575 2.825 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001295380439 1063353265 /nfs/dbraw/zinc/35/32/65/1063353265.db2.gz QDCBJDFKTFVRMA-UTKZUKDTSA-N 0 3 477.631 2.534 20 0 JFADHN C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)C[C@@H](C(F)(F)F)O1 ZINC001291201873 1063357848 /nfs/dbraw/zinc/35/78/48/1063357848.db2.gz CWVXGZIPNBKQRJ-IKGGRYGDSA-N 0 3 474.572 2.674 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001295386728 1063363373 /nfs/dbraw/zinc/36/33/73/1063363373.db2.gz WFAHZVAOMPLONT-CJFMBICVSA-N 0 3 489.686 2.817 20 0 JFADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1C[C@H](c1cccs1)N(C)C ZINC001291205545 1063364733 /nfs/dbraw/zinc/36/47/33/1063364733.db2.gz KKPNANAYKGAHOG-XUWVNRHRSA-N 0 3 472.706 2.583 20 0 JFADHN CCN(CC)[C@@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001295387572 1063364901 /nfs/dbraw/zinc/36/49/01/1063364901.db2.gz GGLSECCOHYPKBE-AZUAARDMSA-N 0 3 463.648 2.621 20 0 JFADHN CCN(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCNC(=O)CC1)c1ccco1 ZINC001295397745 1063384801 /nfs/dbraw/zinc/38/48/01/1063384801.db2.gz QPGWKPKVXAOPOU-FQEVSTJZSA-N 0 3 452.559 2.956 20 0 JFADHN CCN(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(C(=O)NC)C1)c1ccsc1 ZINC001295403893 1063388966 /nfs/dbraw/zinc/38/89/66/1063388966.db2.gz GZJNHKSFDZJHKE-NTKDMRAZSA-N 0 3 487.674 2.508 20 0 JFADHN CCN(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(C(=O)NC)C1)c1ccsc1 ZINC001295403884 1063389063 /nfs/dbraw/zinc/38/90/63/1063389063.db2.gz GZJNHKSFDZJHKE-CYFREDJKSA-N 0 3 487.674 2.508 20 0 JFADHN CCN(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)NC)CC1)c1ccsc1 ZINC001295405038 1063392440 /nfs/dbraw/zinc/39/24/40/1063392440.db2.gz OJDPOGROIKHURC-RBUKOAKNSA-N 0 3 461.636 2.736 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H]1C)c1ccco1 ZINC001295407344 1063398996 /nfs/dbraw/zinc/39/89/96/1063398996.db2.gz SZZOCBKSXWOIKC-XCJLJZCSSA-N 0 3 494.662 2.522 20 0 JFADHN CCN(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccsc1 ZINC001295407560 1063399224 /nfs/dbraw/zinc/39/92/24/1063399224.db2.gz WQKGMOPHDPUQMS-OALUTQOASA-N 0 3 462.664 2.963 20 0 JFADHN C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCOCC2)C[C@H](C)S1 ZINC001291215128 1063421979 /nfs/dbraw/zinc/42/19/79/1063421979.db2.gz KBHCWSREVZMBBT-HDICACEKSA-N 0 3 493.699 2.790 20 0 JFADHN CC(C)N1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C)C2)C1 ZINC001291215769 1063429298 /nfs/dbraw/zinc/42/92/98/1063429298.db2.gz VNKJIZCNAQXBSU-MOPGFXCFSA-N 0 3 461.632 2.694 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2Cc2cccc(Cn3cccn3)c2)CC1 ZINC001295481762 1063493691 /nfs/dbraw/zinc/49/36/91/1063493691.db2.gz XVLCVIMCEDFTQU-UHFFFAOYSA-N 0 3 478.645 2.685 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC[C@H]2CCOC2)CC1 ZINC001295482150 1063495703 /nfs/dbraw/zinc/49/57/03/1063495703.db2.gz DUPBLNMXQOGMNV-NRFANRHFSA-N 0 3 454.619 2.671 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCCS2)CC1 ZINC001295482125 1063495767 /nfs/dbraw/zinc/49/57/67/1063495767.db2.gz DKNVSMTWFLERHV-HXUWFJFHSA-N 0 3 457.648 2.616 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)SC)CC1 ZINC001295482199 1063496787 /nfs/dbraw/zinc/49/67/87/1063496787.db2.gz GAJIPNZDNIUWCH-GOSISDBHSA-N 0 3 460.648 2.696 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCCO2)CC1 ZINC001295482315 1063499704 /nfs/dbraw/zinc/49/97/04/1063499704.db2.gz JTVZMXVRSDABKD-IBGZPJMESA-N 0 3 476.025 2.553 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC001295482405 1063501083 /nfs/dbraw/zinc/50/10/83/1063501083.db2.gz NBJFCOGRFZNINU-QPPBQGQZSA-N 0 3 483.661 2.782 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CC(F)(F)C2)CC1 ZINC001295482416 1063501301 /nfs/dbraw/zinc/50/13/01/1063501301.db2.gz NMQWVJDTWVYQME-UHFFFAOYSA-N 0 3 476.572 2.989 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ccc(Cl)cc2)CC1 ZINC001295483384 1063507043 /nfs/dbraw/zinc/50/70/43/1063507043.db2.gz DAYLBZLKTHVICH-LJQANCHMSA-N 0 3 491.036 2.505 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001295483575 1063508580 /nfs/dbraw/zinc/50/85/80/1063508580.db2.gz HINPUKNTQMTDSH-LJQANCHMSA-N 0 3 491.681 2.791 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)c2cccc(OC)c2)CC1 ZINC001295484322 1063509780 /nfs/dbraw/zinc/50/97/80/1063509780.db2.gz MDTMMYVXLWQTAQ-NRFANRHFSA-N 0 3 498.672 2.759 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CCSCC(F)(F)F)CC1 ZINC001295484341 1063509960 /nfs/dbraw/zinc/50/99/60/1063509960.db2.gz MTIKWOBUKDMZMI-UHFFFAOYSA-N 0 3 499.607 2.934 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)c2c(C)noc2C)CC1 ZINC001295484394 1063510455 /nfs/dbraw/zinc/51/04/55/1063510455.db2.gz NCFIAOWIADGTMR-NQIIRXRSSA-N 0 3 487.649 2.919 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2c(C)coc2C)CC1 ZINC001295484457 1063511287 /nfs/dbraw/zinc/51/12/87/1063511287.db2.gz NWXBHCOIAUFERV-NRFANRHFSA-N 0 3 458.607 2.768 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCCC2(C)C)CC1 ZINC001295484625 1063511953 /nfs/dbraw/zinc/51/19/53/1063511953.db2.gz PPUPLCWNHCVECS-AREMUKBSSA-N 0 3 483.661 2.580 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C)cc2C)CC1 ZINC001295484731 1063512587 /nfs/dbraw/zinc/51/25/87/1063512587.db2.gz QVLZIJJFDOZYGU-HSZRJFAPSA-N 0 3 468.646 2.828 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2Cc2ccc(NC(C)=O)cc2)CC1 ZINC001295484992 1063513707 /nfs/dbraw/zinc/51/37/07/1063513707.db2.gz SEHWLVAIUVVDFB-UHFFFAOYSA-N 0 3 481.645 2.933 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCC(F)(F)CC2)CC1 ZINC001295484981 1063513861 /nfs/dbraw/zinc/51/38/61/1063513861.db2.gz RZQWQQOZWHBYEF-HXUWFJFHSA-N 0 3 482.620 2.988 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CCOc2cccc(F)c2)CC1 ZINC001295485776 1063514400 /nfs/dbraw/zinc/51/44/00/1063514400.db2.gz YNKQKWMQWBFHDR-JOCHJYFZSA-N 0 3 488.608 2.728 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2cccc(F)c2)CC1 ZINC001295485779 1063515064 /nfs/dbraw/zinc/51/50/64/1063515064.db2.gz YNKQKWMQWBFHDR-QFIPXVFZSA-N 0 3 488.608 2.728 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(F)cc2Cl)CC1 ZINC001295485850 1063515119 /nfs/dbraw/zinc/51/51/19/1063515119.db2.gz ZCMILKSKSVZCLI-IBGZPJMESA-N 0 3 493.027 2.808 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OC)cc2)CC1 ZINC001295490912 1063519190 /nfs/dbraw/zinc/51/91/90/1063519190.db2.gz IYNWYSFQZONOEZ-UHFFFAOYSA-N 0 3 482.654 2.978 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2cccnc2)CC1 ZINC001295490911 1063519246 /nfs/dbraw/zinc/51/92/46/1063519246.db2.gz IXQBYEAIHIWOFL-UHFFFAOYSA-N 0 3 497.594 2.775 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CC=CCO2)CC1 ZINC001295491258 1063522552 /nfs/dbraw/zinc/52/25/52/1063522552.db2.gz RAALRSSADFJFNF-QHCPKHFHSA-N 0 3 496.656 2.809 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CCCC2)CC1 ZINC001295491545 1063523164 /nfs/dbraw/zinc/52/31/64/1063523164.db2.gz UBLVYFHWZWNCSS-UHFFFAOYSA-N 0 3 498.672 2.769 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)c2ncc(C)s2)CC1 ZINC001295491618 1063524318 /nfs/dbraw/zinc/52/43/18/1063524318.db2.gz WGEQUPHPTSYXEM-LJQANCHMSA-N 0 3 496.685 2.823 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCCO2)CC1 ZINC001295491632 1063524451 /nfs/dbraw/zinc/52/44/51/1063524451.db2.gz WSUPXFVKZCAWKH-QZNHQXDQSA-N 0 3 490.693 2.756 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001295567262 1063602485 /nfs/dbraw/zinc/60/24/85/1063602485.db2.gz YUGDSEBOUWKCIF-PMPSAXMXSA-N 0 3 451.559 2.689 20 0 JFADHN C[C@@H]1CN(CCCn2c(-c3ccc(Br)cc3)nnc2N2CCS(=O)CC2)CCCO1 ZINC001291289549 1063657483 /nfs/dbraw/zinc/65/74/83/1063657483.db2.gz MDGXKMSTOUPWSY-QGZVFWFLSA-N 0 3 496.475 2.777 20 0 JFADHN C[C@@H]1CSCCN1c1nnc(Cc2ccsc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291314326 1063746638 /nfs/dbraw/zinc/74/66/38/1063746638.db2.gz ZAYLSJPZSSATPE-IEBWSBKVSA-N 0 3 462.689 2.815 20 0 JFADHN C[C@@H]1SCCN(c2nnc(Cc3ccccn3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)[C@H]1C ZINC001291331380 1063787069 /nfs/dbraw/zinc/78/70/69/1063787069.db2.gz IKYPLZSVRCDTDF-IRFCIJBXSA-N 0 3 471.675 2.537 20 0 JFADHN CCN(CCn1c(-c2cccc(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C)CCC(F)(F)F ZINC001295824814 1063832881 /nfs/dbraw/zinc/83/28/81/1063832881.db2.gz IRSICOLEHFKDNK-INIZCTEOSA-N 0 3 468.524 2.895 20 0 JFADHN CCN(CCn1c(-c2ccc(C)o2)nnc1N1CCc2nn(C)c(=O)cc2C1)CCC(F)(F)F ZINC001295830283 1063844058 /nfs/dbraw/zinc/84/40/58/1063844058.db2.gz REFRJYXDUIODNF-UHFFFAOYSA-N 0 3 479.507 2.777 20 0 JFADHN CCN(CCn1c(-c2ccccc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1)CCC(F)(F)F ZINC001295835283 1063851336 /nfs/dbraw/zinc/85/13/36/1063851336.db2.gz AMIJTUBMKXHQKE-OAQYLSRUSA-N 0 3 468.524 2.930 20 0 JFADHN CCN(CCn1c(-c2cccn2C)nnc1N1CCN(CC(C)C)C(=O)C1)CCC(F)(F)F ZINC001295838353 1063856740 /nfs/dbraw/zinc/85/67/40/1063856740.db2.gz WAMPQHHMQGANOK-UHFFFAOYSA-N 0 3 469.556 2.863 20 0 JFADHN CCN(CCn1c(C2CCC2)nnc1N1CC[C@H](CN2CCOCC2)C1)CCC(F)(F)F ZINC001295845144 1063865422 /nfs/dbraw/zinc/86/54/22/1063865422.db2.gz JKPSBEUMKHELAR-GOSISDBHSA-N 0 3 458.573 2.978 20 0 JFADHN CCN(CCn1c(CC2CC2)nnc1N1CCN(C[C@H]2CCOC2)CC1)C(=O)OC(C)(C)C ZINC001295861636 1063894145 /nfs/dbraw/zinc/89/41/45/1063894145.db2.gz FAXCZCOAMXEZAO-HXUWFJFHSA-N 0 3 462.639 2.646 20 0 JFADHN CCN(CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)C(C)C ZINC001295866117 1063899691 /nfs/dbraw/zinc/89/96/91/1063899691.db2.gz UROLUYBSZZBWDD-QHCPKHFHSA-N 0 3 479.622 2.742 20 0 JFADHN CC[C@](C)(O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001291373959 1063902628 /nfs/dbraw/zinc/90/26/28/1063902628.db2.gz ANLHXTVCYCZDDU-BLFHIAQRSA-N 0 3 486.636 2.548 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)CN1CCCCC1 ZINC001295879310 1063922669 /nfs/dbraw/zinc/92/26/69/1063922669.db2.gz YDOWNRVBUXCXCD-IBGZPJMESA-N 0 3 491.658 2.709 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc(-c2cccc3cccnc32)n1CC1(N(C)C)CCC1 ZINC001295879206 1063922739 /nfs/dbraw/zinc/92/27/39/1063922739.db2.gz XQRBHPRMBLUBKG-UHFFFAOYSA-N 0 3 456.616 2.849 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCN(CC(C)C)C1 ZINC001295880417 1063924740 /nfs/dbraw/zinc/92/47/40/1063924740.db2.gz BOLHYNIOYXSXCU-UXHICEINSA-N 0 3 455.669 2.759 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc(Cc2ccncc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 ZINC001295884625 1063931097 /nfs/dbraw/zinc/93/10/97/1063931097.db2.gz ABWIFEBHWBEGSJ-WMZHIEFXSA-N 0 3 462.664 2.645 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN(C(C)C)C1 ZINC001295886413 1063933615 /nfs/dbraw/zinc/93/36/15/1063933615.db2.gz OSAOFFCSHHJMOO-FQEVSTJZSA-N 0 3 465.639 2.999 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc(Cc2ccccc2F)n1CC1(N2CCCC2)CCOCC1 ZINC001295886942 1063934605 /nfs/dbraw/zinc/93/46/05/1063934605.db2.gz RXNLVLJNNLBMCO-UHFFFAOYSA-N 0 3 493.649 2.524 20 0 JFADHN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001291387639 1063935829 /nfs/dbraw/zinc/93/58/29/1063935829.db2.gz NKILHXREVPWBPM-MHECFPHRSA-N 0 3 490.052 2.535 20 0 JFADHN CCn1cc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N2CCC(C)CC2)cn1 ZINC001295901151 1063954490 /nfs/dbraw/zinc/95/44/90/1063954490.db2.gz GLMVDUIWNFYNLX-IBGZPJMESA-N 0 3 465.606 2.899 20 0 JFADHN CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001291403359 1063968638 /nfs/dbraw/zinc/96/86/38/1063968638.db2.gz JZFRESCWWXOAIE-CUNXSJBXSA-N 0 3 498.672 2.707 20 0 JFADHN CC[C@H](C)[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C)OC ZINC001291411745 1063987246 /nfs/dbraw/zinc/98/72/46/1063987246.db2.gz OISVCRNWPRMFAC-VWNVYAMZSA-N 0 3 467.622 2.901 20 0 JFADHN CC[C@H](C)[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1)OC ZINC001291414593 1063991226 /nfs/dbraw/zinc/99/12/26/1063991226.db2.gz ZTUCGUFRAPHLLS-JVODISISSA-N 0 3 485.677 2.724 20 0 JFADHN CC[C@@H](C)c1nnc(N(C)[C@H](C)CS(=O)(=O)CC)n1CC1(N2CCCC2)CCOCC1 ZINC001291430050 1064012506 /nfs/dbraw/zinc/01/25/06/1064012506.db2.gz SHKUOLGKDPCUSZ-RTBURBONSA-N 0 3 455.669 2.696 20 0 JFADHN CC[C@H](C)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1C[C@H]1CCCN(C(C)=O)C1 ZINC001291434184 1064014353 /nfs/dbraw/zinc/01/43/53/1064014353.db2.gz JWNUJFGOCVUPAI-UNMCSNQZSA-N 0 3 470.666 2.847 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)NC(C)C)C[C@@H]1C ZINC001295975150 1064018789 /nfs/dbraw/zinc/01/87/89/1064018789.db2.gz AMSYQGAKMGTKAR-ZWKOTPCHSA-N 0 3 490.052 2.695 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001295975827 1064020278 /nfs/dbraw/zinc/02/02/78/1064020278.db2.gz FJSJUQILEXAQFO-CABCVRRESA-N 0 3 453.513 2.797 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@](C)(O)CCOC)C[C@H]1C ZINC001295975870 1064020793 /nfs/dbraw/zinc/02/07/93/1064020793.db2.gz FSFZAPKZMXKWBY-YTZAWJCFSA-N 0 3 493.052 2.568 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)C[C@@H]1C ZINC001295976069 1064021075 /nfs/dbraw/zinc/02/10/75/1064021075.db2.gz CFEHPRSQROAWOK-UFYCRDLUSA-N 0 3 488.608 2.725 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCC(F)(F)F)C[C@@H]1C ZINC001295976223 1064021586 /nfs/dbraw/zinc/02/15/86/1064021586.db2.gz GRPTZJQMUHAZQP-IRXDYDNUSA-N 0 3 495.550 2.745 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2OCCOC)C[C@H]1C ZINC001295976611 1064022485 /nfs/dbraw/zinc/02/24/85/1064022485.db2.gz HPGSDZJQTCQCLQ-UXHICEINSA-N 0 3 493.612 2.918 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC001295977305 1064023005 /nfs/dbraw/zinc/02/30/05/1064023005.db2.gz KDKZQANHOCOHOM-DLBZAZTESA-N 0 3 480.548 2.622 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(C)nc2)C[C@H]1C ZINC001295977593 1064024204 /nfs/dbraw/zinc/02/42/04/1064024204.db2.gz OTTYQWRDNIKROX-WOJBJXKFSA-N 0 3 497.669 2.866 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C ZINC001295977945 1064024925 /nfs/dbraw/zinc/02/49/25/1064024925.db2.gz MCNSIEKQXGGFFZ-HZPDHXFCSA-N 0 3 477.009 2.808 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCNS(C)(=O)=O)C[C@@H]1C ZINC001295978023 1064025585 /nfs/dbraw/zinc/02/55/85/1064025585.db2.gz JMCMGLMSAQACCB-IRFCIJBXSA-N 0 3 492.690 2.893 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(C)(C)O)C[C@@H]1C ZINC001295978741 1064026150 /nfs/dbraw/zinc/02/61/50/1064026150.db2.gz LAFSFCZCLRCMLX-DLBZAZTESA-N 0 3 477.679 2.627 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC001295978760 1064026422 /nfs/dbraw/zinc/02/64/22/1064026422.db2.gz LAPPRNJWDGJCRV-BERHBOFZSA-N 0 3 498.672 2.976 20 0 JFADHN CCN(CCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)S(C)(=O)=O ZINC001295980398 1064030027 /nfs/dbraw/zinc/03/00/27/1064030027.db2.gz YTDWOUFQPHQFOR-OALUTQOASA-N 0 3 478.663 2.544 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001295980684 1064031133 /nfs/dbraw/zinc/03/11/33/1064031133.db2.gz RAEWKSUZZYNQTC-RTBURBONSA-N 0 3 477.654 2.690 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC1(COC)CCC1 ZINC001291470381 1064031369 /nfs/dbraw/zinc/03/13/69/1064031369.db2.gz PGBPJOQPYUPHOM-TUNNFDKTSA-N 0 3 460.667 2.987 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC(=O)Nc1ccc(F)cc1 ZINC001291470773 1064031959 /nfs/dbraw/zinc/03/19/59/1064031959.db2.gz VDTDPMWOSWCFPN-YDHSSHFGSA-N 0 3 499.635 2.948 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2c(C)cccc2C)C[C@@H]1C ZINC001295981817 1064033267 /nfs/dbraw/zinc/03/32/67/1064033267.db2.gz SAWTXMSGNFUEBT-SLFFLAALSA-N 0 3 478.663 2.503 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCCn2ccnn2)C[C@H]1C ZINC001295983908 1064040246 /nfs/dbraw/zinc/04/02/46/1064040246.db2.gz XQJKZKGGHNPXLG-HZPDHXFCSA-N 0 3 476.427 2.647 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCC(=O)N2)C[C@H]1C ZINC001295984049 1064040789 /nfs/dbraw/zinc/04/07/89/1064040789.db2.gz KIVRTGVDJFGENU-BFYDXBDKSA-N 0 3 491.434 2.914 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@H]2COCCO2)C[C@H]1C ZINC001295987341 1064043543 /nfs/dbraw/zinc/04/35/43/1064043543.db2.gz ZWIONJSETILBRB-HBFSDRIKSA-N 0 3 459.591 2.687 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCNC(=O)c2cccc(OC)c2)C[C@@H]1C ZINC001295989546 1064044488 /nfs/dbraw/zinc/04/44/88/1064044488.db2.gz BNQMJPDCIGJTSF-OALUTQOASA-N 0 3 463.586 2.698 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCOC2)C[C@H]1C ZINC001295993040 1064047856 /nfs/dbraw/zinc/04/78/56/1064047856.db2.gz BUEINEOCDPOXNW-WCIQWLHISA-N 0 3 478.638 2.542 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C[C@H]1C ZINC001295993422 1064048762 /nfs/dbraw/zinc/04/87/62/1064048762.db2.gz SBEYGPXWTRTNJP-LVCYWYKZSA-N 0 3 465.577 2.742 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCCCn2cc(Br)cn2)C[C@H]1C ZINC001295994747 1064050636 /nfs/dbraw/zinc/05/06/36/1064050636.db2.gz JKARCAZWKWBMAT-RYRKJORJSA-N 0 3 493.454 2.588 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC(Cn3cccn3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291501736 1064052015 /nfs/dbraw/zinc/05/20/15/1064052015.db2.gz VCLLCWHIEZSONY-UNMCSNQZSA-N 0 3 470.666 2.847 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cnccn3)n2CCc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC001295996819 1064053253 /nfs/dbraw/zinc/05/32/53/1064053253.db2.gz NSOGWSCBTBSAHP-ROUUACIJSA-N 0 3 481.601 2.923 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccc(COCCOC)cc2)C[C@@H]1C ZINC001295998205 1064055286 /nfs/dbraw/zinc/05/52/86/1064055286.db2.gz TYVOJAYHSXMIKY-PMACEKPBSA-N 0 3 465.602 2.865 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001291504197 1064055897 /nfs/dbraw/zinc/05/58/97/1064055897.db2.gz LZLQOKCFMISCBU-SJLPKXTDSA-N 0 3 468.693 2.922 20 0 JFADHN CCN(CCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)S(C)(=O)=O ZINC001296000356 1064057066 /nfs/dbraw/zinc/05/70/66/1064057066.db2.gz CJKQGEBRDYVRMH-OALUTQOASA-N 0 3 480.654 2.599 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(CC(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001296001468 1064057494 /nfs/dbraw/zinc/05/74/94/1064057494.db2.gz IAFUIZRYGXCVGQ-FGZHOGPDSA-N 0 3 467.662 2.744 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CC2(C(=O)N(C)C)CCCC2)C[C@@H]1C ZINC001296001199 1064057521 /nfs/dbraw/zinc/05/75/21/1064057521.db2.gz GIDYNTAKJWDSMI-VQTJNVASSA-N 0 3 453.635 2.831 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001296003266 1064058554 /nfs/dbraw/zinc/05/85/54/1064058554.db2.gz SKSVJNXYVORHSC-BHIFYINESA-N 0 3 468.646 2.591 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@@H]1C ZINC001296003268 1064058585 /nfs/dbraw/zinc/05/85/85/1064058585.db2.gz SKSVJNXYVORHSC-FKBYEOEOSA-N 0 3 468.646 2.591 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001296003269 1064058615 /nfs/dbraw/zinc/05/86/15/1064058615.db2.gz SKSVJNXYVORHSC-FSSWDIPSSA-N 0 3 468.646 2.591 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccco2)N(C)C)C[C@@H]1C ZINC001296008787 1064061981 /nfs/dbraw/zinc/06/19/81/1064061981.db2.gz BJQUSAMNUZENOB-PCCBWWKXSA-N 0 3 454.623 2.955 20 0 JFADHN CC[C@@H](C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1Cc1ncccc1N(C)C ZINC001291510520 1064062351 /nfs/dbraw/zinc/06/23/51/1064062351.db2.gz XLQUUHJCAXIGBU-NHCUHLMSSA-N 0 3 454.667 2.906 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2ccc(OC)cc2)C[C@@H]1C ZINC001296009326 1064063936 /nfs/dbraw/zinc/06/39/36/1064063936.db2.gz JUGIKQZGTRTXSE-SLFFLAALSA-N 0 3 470.618 2.796 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[C@H]2COCCO2)C[C@@H]1C ZINC001296009564 1064065390 /nfs/dbraw/zinc/06/53/90/1064065390.db2.gz LNYLBQVIKDUMRK-JTAQYXEDSA-N 0 3 457.619 2.796 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2nnc(C)s2)C[C@H]1C ZINC001296009808 1064066942 /nfs/dbraw/zinc/06/69/42/1064066942.db2.gz IHENTXCBQOWWQC-CABCVRRESA-N 0 3 474.660 2.591 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001296009926 1064067597 /nfs/dbraw/zinc/06/75/97/1064067597.db2.gz NVBDUFSHGDYFGY-IPJJNNNSSA-N 0 3 475.707 2.910 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCCN1CCc2ccccc2C1 ZINC001291514488 1064067603 /nfs/dbraw/zinc/06/76/03/1064067603.db2.gz UKGKDHFUHYRHHX-LJQANCHMSA-N 0 3 474.675 2.758 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)NCC2CC2)C[C@@H]1C ZINC001296010375 1064068646 /nfs/dbraw/zinc/06/86/46/1064068646.db2.gz PUHVGICAJYMMSB-OALUTQOASA-N 0 3 454.619 2.517 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CC3CC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C[C@H]1C ZINC001296011249 1064070584 /nfs/dbraw/zinc/07/05/84/1064070584.db2.gz UNQAELYSLMEFDD-ZIFCJYIRSA-N 0 3 458.573 2.803 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2cccnc2)C[C@@H]1C ZINC001296011434 1064071114 /nfs/dbraw/zinc/07/11/14/1064071114.db2.gz OYDDXNGXFQBKCK-ROUUACIJSA-N 0 3 453.616 2.826 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCOC[C@@H]2CCOC2)C[C@@H]1C ZINC001296011683 1064071617 /nfs/dbraw/zinc/07/16/17/1064071617.db2.gz QEZKSDQBFJJOFF-FKBYEOEOSA-N 0 3 459.639 2.502 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001291522060 1064073942 /nfs/dbraw/zinc/07/39/42/1064073942.db2.gz YBUONBCNZWGPFE-NHCUHLMSSA-N 0 3 459.683 2.514 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OCCOC)C[C@H]1C ZINC001296013596 1064074518 /nfs/dbraw/zinc/07/45/18/1064074518.db2.gz WNFFRVOAFFQEFQ-RTWAWAEBSA-N 0 3 482.633 2.527 20 0 JFADHN CC[C@H](C)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291524097 1064074586 /nfs/dbraw/zinc/07/45/86/1064074586.db2.gz GBYKPACWKSLYOR-SIKLNZKXSA-N 0 3 482.677 2.758 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001296015259 1064077160 /nfs/dbraw/zinc/07/71/60/1064077160.db2.gz RKFIVACYSARHNS-ZCNNSNEGSA-N 0 3 492.665 2.811 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2CCN2CCOCC2(C)C)C[C@@H]1C ZINC001296017305 1064079370 /nfs/dbraw/zinc/07/93/70/1064079370.db2.gz XWWIQENSQBOMPE-LEWJYISDSA-N 0 3 486.661 2.895 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001291539735 1064081674 /nfs/dbraw/zinc/08/16/74/1064081674.db2.gz IJQHJWBAQWPOAW-PWIZWCRZSA-N 0 3 483.596 2.766 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001291539734 1064081688 /nfs/dbraw/zinc/08/16/88/1064081688.db2.gz IJQHJWBAQWPOAW-FFZOFVMBSA-N 0 3 483.596 2.766 20 0 JFADHN CC[C@H](C)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001291560272 1064092182 /nfs/dbraw/zinc/09/21/82/1064092182.db2.gz QVNORTLBRZZSIJ-YADHBBJMSA-N 0 3 461.699 2.760 20 0 JFADHN CCN1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)C1 ZINC001296036086 1064095459 /nfs/dbraw/zinc/09/54/59/1064095459.db2.gz HASUNPBRNKHMGF-JKSUJKDBSA-N 0 3 455.028 2.595 20 0 JFADHN CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001296039269 1064099034 /nfs/dbraw/zinc/09/90/34/1064099034.db2.gz SALJFYGBLBJGQP-SJORKVTESA-N 0 3 452.024 2.954 20 0 JFADHN CCN1CC[C@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001296039742 1064099792 /nfs/dbraw/zinc/09/97/92/1064099792.db2.gz SUEVIDSRUWPKNZ-ICSRJNTNSA-N 0 3 491.658 2.706 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1csc([C@@H](C)OC)n1 ZINC001291578582 1064104145 /nfs/dbraw/zinc/10/41/45/1064104145.db2.gz FHJROYUTDQCGJS-YQVWRLOYSA-N 0 3 475.663 2.747 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCc1nc(C)c(C)s1 ZINC001291582172 1064113161 /nfs/dbraw/zinc/11/31/61/1064113161.db2.gz UJSORJMHNGSZCD-VQIMIIECSA-N 0 3 459.664 2.850 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1CCc1ccc2c(c1)OCCO2 ZINC001291583055 1064115433 /nfs/dbraw/zinc/11/54/33/1064115433.db2.gz PGAPYGXMPFUAJD-FQEVSTJZSA-N 0 3 484.645 2.796 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[C@@H](OC)C(F)(F)F ZINC001291583069 1064115470 /nfs/dbraw/zinc/11/54/70/1064115470.db2.gz PKLWOYMBGLASDM-DLBZAZTESA-N 0 3 460.545 2.503 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[C@H](OC)C(F)(F)F ZINC001291583071 1064115476 /nfs/dbraw/zinc/11/54/76/1064115476.db2.gz PKLWOYMBGLASDM-IRXDYDNUSA-N 0 3 460.545 2.503 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)COC)CC2)n1C[C@H](c1ccccc1OC)N1CCCC1 ZINC001291583243 1064116360 /nfs/dbraw/zinc/11/63/60/1064116360.db2.gz QHTXQOVGAHTWIU-RBBKRZOGSA-N 0 3 484.645 2.932 20 0 JFADHN CCN1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccccc1OC ZINC001296056091 1064117242 /nfs/dbraw/zinc/11/72/42/1064117242.db2.gz JOFNMHJUJCZEOX-IBGZPJMESA-N 0 3 456.591 2.522 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001291590367 1064123238 /nfs/dbraw/zinc/12/32/38/1064123238.db2.gz VKPRMZLTOSLWNZ-IRLDBZIGSA-N 0 3 470.618 2.971 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001291594598 1064130792 /nfs/dbraw/zinc/13/07/92/1064130792.db2.gz IPSXJRRVDSQKDC-GBESFXJTSA-N 0 3 459.605 2.890 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001291616036 1064153200 /nfs/dbraw/zinc/15/32/00/1064153200.db2.gz WGZGZFKHACOWSJ-LJQANCHMSA-N 0 3 469.682 2.551 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001291618652 1064155562 /nfs/dbraw/zinc/15/55/62/1064155562.db2.gz HSJQNZMSBZPFJX-HKUYNNGSSA-N 0 3 482.658 2.977 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1C[C@H](C)CN1CCOCC1 ZINC001291632443 1064180697 /nfs/dbraw/zinc/18/06/97/1064180697.db2.gz SYCNOEGJFXAXBK-AOHZBQACSA-N 0 3 470.662 2.616 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296119850 1064206313 /nfs/dbraw/zinc/20/63/13/1064206313.db2.gz BQUJEYTZECZUPF-MSOLQXFVSA-N 0 3 477.451 2.959 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296119854 1064206640 /nfs/dbraw/zinc/20/66/40/1064206640.db2.gz BQUJEYTZECZUPF-ROUUACIJSA-N 0 3 477.451 2.959 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccon2)CC1 ZINC001296120101 1064207875 /nfs/dbraw/zinc/20/78/75/1064207875.db2.gz DRUFOSKHUNXFPW-INIZCTEOSA-N 0 3 491.438 2.697 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001296120119 1064208198 /nfs/dbraw/zinc/20/81/98/1064208198.db2.gz FDPFJNAHVSPNBC-VQTJNVASSA-N 0 3 486.661 2.992 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(C)nnc2N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC001296120254 1064209036 /nfs/dbraw/zinc/20/90/36/1064209036.db2.gz GUPZWNSZTZVUTG-SFHVURJKSA-N 0 3 472.613 2.542 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001296120377 1064209348 /nfs/dbraw/zinc/20/93/48/1064209348.db2.gz IHQDWRANOVPOTE-JOCHJYFZSA-N 0 3 467.662 2.780 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCN(c3ccc(Cl)cn3)CC2)CC1 ZINC001296121519 1064212638 /nfs/dbraw/zinc/21/26/38/1064212638.db2.gz PHRALWJEVPADTB-IBGZPJMESA-N 0 3 461.058 2.803 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(C)nc4ccccc43)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001296122893 1064215813 /nfs/dbraw/zinc/21/58/13/1064215813.db2.gz ZVXRMMPBXQMZEZ-UXHICEINSA-N 0 3 478.645 2.528 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291679980 1064216269 /nfs/dbraw/zinc/21/62/69/1064216269.db2.gz BXPSYUPHPTVQPW-WOJBJXKFSA-N 0 3 478.707 2.837 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001296124803 1064217449 /nfs/dbraw/zinc/21/74/49/1064217449.db2.gz JDFYGJZAXQNPMJ-VQTJNVASSA-N 0 3 486.661 2.992 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N(C)CCc2cnccn2)CC1 ZINC001296124564 1064217543 /nfs/dbraw/zinc/21/75/43/1064217543.db2.gz IHOJCYVXDGDTAH-LJQANCHMSA-N 0 3 452.582 2.579 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001296125299 1064218657 /nfs/dbraw/zinc/21/86/57/1064218657.db2.gz LUCNMUNAFYDOBO-RTBURBONSA-N 0 3 462.042 2.882 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001296125566 1064219265 /nfs/dbraw/zinc/21/92/65/1064219265.db2.gz MTZRCSHKVUREES-SFHVURJKSA-N 0 3 453.591 2.913 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@H](COC)C2)CC1 ZINC001296126073 1064219984 /nfs/dbraw/zinc/21/99/84/1064219984.db2.gz PESCVULLQVOMRF-NHCUHLMSSA-N 0 3 456.635 2.843 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001296127618 1064221663 /nfs/dbraw/zinc/22/16/63/1064221663.db2.gz VODMVGSCBQAWCP-KRWDZBQOSA-N 0 3 494.015 2.652 20 0 JFADHN CC[C@H](C)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCN(C)C(C)(C)C1 ZINC001291704664 1064222327 /nfs/dbraw/zinc/22/23/27/1064222327.db2.gz OBVFUTSISIODEQ-IBGZPJMESA-N 0 3 476.691 2.857 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296129598 1064222845 /nfs/dbraw/zinc/22/28/45/1064222845.db2.gz AWQIGCTWUGXVNN-QZTJIDSGSA-N 0 3 465.046 2.569 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296129853 1064223190 /nfs/dbraw/zinc/22/31/90/1064223190.db2.gz BZNVUJPIVSYGSX-IFMALSPDSA-N 0 3 456.635 2.843 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC(C)C)CC1 ZINC001296131440 1064225901 /nfs/dbraw/zinc/22/59/01/1064225901.db2.gz KQLOVDNSUQPFKG-SFTDATJTSA-N 0 3 493.697 2.705 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001296131799 1064227468 /nfs/dbraw/zinc/22/74/68/1064227468.db2.gz NKZGRKZVXNHHRN-QUCCMNQESA-N 0 3 461.680 2.523 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001296131913 1064227577 /nfs/dbraw/zinc/22/75/77/1064227577.db2.gz NAZGQJGAFHXTEQ-AQNXPRMDSA-N 0 3 488.599 2.746 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296132244 1064228832 /nfs/dbraw/zinc/22/88/32/1064228832.db2.gz AAQWDLWRWQZXBR-LVXARBLLSA-N 0 3 486.661 2.897 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(N(C)C[C@H](C)C(=O)NC)nnc2C2(c3ccccc3)CCC2)CC1 ZINC001296132583 1064230720 /nfs/dbraw/zinc/23/07/20/1064230720.db2.gz BRRZUPZOBFSKFK-VXKWHMMOSA-N 0 3 481.689 2.592 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296132869 1064232328 /nfs/dbraw/zinc/23/23/28/1064232328.db2.gz XDFYJIYBJAKCGP-GBESFXJTSA-N 0 3 462.589 2.787 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC001296133007 1064232661 /nfs/dbraw/zinc/23/26/61/1064232661.db2.gz SGJJUQYUVBUJNV-IBGZPJMESA-N 0 3 453.635 2.568 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(C3CCC3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001296133356 1064233489 /nfs/dbraw/zinc/23/34/89/1064233489.db2.gz TVOKQEGBWGJKPR-PMACEKPBSA-N 0 3 475.682 2.923 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCOC[C@H]2C)CC1 ZINC001296133582 1064234007 /nfs/dbraw/zinc/23/40/07/1064234007.db2.gz JBPJPTNZABPUDU-RTBURBONSA-N 0 3 463.026 2.762 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@H]2CCOC2)CC1 ZINC001296133884 1064234869 /nfs/dbraw/zinc/23/48/69/1064234869.db2.gz LFUIVPHROTZRNH-XZOQPEGZSA-N 0 3 470.662 2.973 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CCOc3ccccc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001296134428 1064236172 /nfs/dbraw/zinc/23/61/72/1064236172.db2.gz OZZDUPWEXLIORH-VXKWHMMOSA-N 0 3 470.662 2.929 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001296134782 1064236646 /nfs/dbraw/zinc/23/66/46/1064236646.db2.gz QIUPWIZVEXXFRY-FCHUYYIVSA-N 0 3 456.635 2.807 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001296134832 1064237074 /nfs/dbraw/zinc/23/70/74/1064237074.db2.gz RATWMNQJDPXHJE-NRFANRHFSA-N 0 3 473.710 2.732 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001296134940 1064237979 /nfs/dbraw/zinc/23/79/79/1064237979.db2.gz TUHQUROUDRTMRG-RDGATRHJSA-N 0 3 472.682 2.561 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(N3CCC(OCCCOC)CC3)nnc2C(C)(C)C)CC1 ZINC001296135481 1064239715 /nfs/dbraw/zinc/23/97/15/1064239715.db2.gz ZGDNZQLOWZQENS-HXUWFJFHSA-N 0 3 450.672 2.624 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001296135725 1064240136 /nfs/dbraw/zinc/24/01/36/1064240136.db2.gz ADMTXKCZSQGAFX-SSTJLMRISA-N 0 3 484.636 2.756 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001296139033 1064246019 /nfs/dbraw/zinc/24/60/19/1064246019.db2.gz ZTTSGQTVQJXNTQ-CMOCDZPBSA-N 0 3 480.723 2.606 20 0 JFADHN CC[C@H](C)N(C)CCn1c(-c2ccccc2Br)nnc1N1CCS(=O)(=O)CC1 ZINC001291768512 1064250646 /nfs/dbraw/zinc/25/06/46/1064250646.db2.gz XAVCXDSLNVRJOP-HNNXBMFYSA-N 0 3 470.437 2.673 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001291775803 1064264980 /nfs/dbraw/zinc/26/49/80/1064264980.db2.gz ZQLPQOSHARDIQV-PGRDOPGGSA-N 0 3 491.658 2.924 20 0 JFADHN CC[C@H](C)N(C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001291782289 1064270443 /nfs/dbraw/zinc/27/04/43/1064270443.db2.gz CKIPCUPATMQJRM-LPHOPBHVSA-N 0 3 470.039 2.864 20 0 JFADHN CC[C@@H](C)N(C)CCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001291783919 1064277736 /nfs/dbraw/zinc/27/77/36/1064277736.db2.gz PITWTXQHMXABGQ-UXHICEINSA-N 0 3 463.648 2.828 20 0 JFADHN CC[C@H](C)[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001291784077 1064278240 /nfs/dbraw/zinc/27/82/40/1064278240.db2.gz QLLDDPPNJIFABM-FQEVSTJZSA-N 0 3 494.644 2.538 20 0 JFADHN CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001291784077 1064278252 /nfs/dbraw/zinc/27/82/52/1064278252.db2.gz QLLDDPPNJIFABM-FQEVSTJZSA-N 0 3 494.644 2.538 20 0 JFADHN CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001296165857 1064286243 /nfs/dbraw/zinc/28/62/43/1064286243.db2.gz BHXYVAANFRTOPQ-VWNXMTODSA-N 0 3 454.663 2.951 20 0 JFADHN CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296167877 1064290838 /nfs/dbraw/zinc/29/08/38/1064290838.db2.gz VHXJMGUGQLQJLQ-LADGPHEKSA-N 0 3 470.662 2.787 20 0 JFADHN CC[C@H](C)NC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@H](C)N(CC)C[C@H]2C)c1 ZINC001291794645 1064296742 /nfs/dbraw/zinc/29/67/42/1064296742.db2.gz VATUACPRXUAXFI-VWNVYAMZSA-N 0 3 481.645 2.725 20 0 JFADHN CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001296174205 1064300757 /nfs/dbraw/zinc/30/07/57/1064300757.db2.gz OJVLUBOLHPVXBZ-RBBKRZOGSA-N 0 3 474.625 2.883 20 0 JFADHN CC[C@H](C)NC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001291796017 1064302324 /nfs/dbraw/zinc/30/23/24/1064302324.db2.gz IRIXMCWVNVZAKG-JTHBVZDNSA-N 0 3 497.688 2.863 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCOCCOC)C2)CC1 ZINC001296179493 1064308781 /nfs/dbraw/zinc/30/87/81/1064308781.db2.gz HKUZWQZEIKMIEA-LJQANCHMSA-N 0 3 481.016 2.617 20 0 JFADHN CC[C@H](C)NC(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC2CC2)CC1 ZINC001291798097 1064308973 /nfs/dbraw/zinc/30/89/73/1064308973.db2.gz SOLGGUBYAXJZMC-HNNXBMFYSA-N 0 3 478.439 2.873 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(OC)c4)n3CCOC(C)(C)C)C2)CC1 ZINC001296180523 1064311573 /nfs/dbraw/zinc/31/15/73/1064311573.db2.gz NUOHPDIEBKCSQC-NRFANRHFSA-N 0 3 456.635 2.985 20 0 JFADHN CC[C@H](C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001291802850 1064313425 /nfs/dbraw/zinc/31/34/25/1064313425.db2.gz GNHANKJLCKWLLQ-ICSRJNTNSA-N 0 3 489.068 2.515 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCNC(=O)c3cccs3)C2)CC1 ZINC001296181394 1064314766 /nfs/dbraw/zinc/31/47/66/1064314766.db2.gz WJHIYLPMFUEJBJ-LJQANCHMSA-N 0 3 473.691 2.574 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(CCCc4ccccc4)n3CCNC(=O)C(C)(C)C)C2)CC1 ZINC001296182147 1064321872 /nfs/dbraw/zinc/32/18/72/1064321872.db2.gz NSQDOWUAMBADPB-XMMPIXPASA-N 0 3 495.716 2.832 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(CCc4ccccc4)n3C[C@@](C)(O)C(C)C)C2)CC1 ZINC001296182362 1064323090 /nfs/dbraw/zinc/32/30/90/1064323090.db2.gz QSDAIWYBLOLOHC-ZEQKJWHPSA-N 0 3 454.663 2.687 20 0 JFADHN CC[C@H](C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001291806044 1064326400 /nfs/dbraw/zinc/32/64/00/1064326400.db2.gz YRFAFVDLSVZWDT-KSZLIROESA-N 0 3 456.591 2.898 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC001296183807 1064329826 /nfs/dbraw/zinc/32/98/26/1064329826.db2.gz GHZRGAXCAGADIE-UXHICEINSA-N 0 3 477.698 2.990 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296190837 1064340534 /nfs/dbraw/zinc/34/05/34/1064340534.db2.gz GCDINCBXVIBEAZ-DHIUTWEWSA-N 0 3 454.663 2.952 20 0 JFADHN CC[C@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001291812973 1064340939 /nfs/dbraw/zinc/34/09/39/1064340939.db2.gz SJQFQXKDBYXAMD-AWRGLXIESA-N 0 3 495.672 2.629 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC(C)(OC)C2)CC1 ZINC001296191181 1064341334 /nfs/dbraw/zinc/34/13/34/1064341334.db2.gz IBHWZMCBKKGPPB-GOSISDBHSA-N 0 3 462.589 2.646 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296192187 1064344648 /nfs/dbraw/zinc/34/46/48/1064344648.db2.gz DLRUUYHKLDZNEE-PKOBYXMFSA-N 0 3 458.573 2.977 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(C3CC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296193151 1064348694 /nfs/dbraw/zinc/34/86/94/1064348694.db2.gz HQCRARZZSUJHMY-CTNGQTDRSA-N 0 3 475.682 2.923 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296193408 1064351154 /nfs/dbraw/zinc/35/11/54/1064351154.db2.gz PDROLAUYWKMQQB-HKUYNNGSSA-N 0 3 486.608 2.972 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296193706 1064351211 /nfs/dbraw/zinc/35/12/11/1064351211.db2.gz PEGUDNNKFUMLNZ-IRLDBZIGSA-N 0 3 489.709 2.998 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296193766 1064353248 /nfs/dbraw/zinc/35/32/48/1064353248.db2.gz QCZHXQSVHGJWQN-OFVILXPXSA-N 0 3 455.651 2.543 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296195332 1064360324 /nfs/dbraw/zinc/36/03/24/1064360324.db2.gz OTBBKGBCJFBJPI-QTZVNIFKSA-N 0 3 492.709 2.671 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001296195331 1064360367 /nfs/dbraw/zinc/36/03/67/1064360367.db2.gz OTBBKGBCJFBJPI-KSZLKVKMSA-N 0 3 492.709 2.671 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001296196106 1064364759 /nfs/dbraw/zinc/36/47/59/1064364759.db2.gz XHAQSBNCWDBTHK-IFMALSPDSA-N 0 3 457.692 2.869 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001296196112 1064364892 /nfs/dbraw/zinc/36/48/92/1064364892.db2.gz XHAQSBNCWDBTHK-UNMCSNQZSA-N 0 3 457.692 2.869 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296196098 1064364930 /nfs/dbraw/zinc/36/49/30/1064364930.db2.gz XCZUZDUEXNWSDH-ZJOUEHCJSA-N 0 3 495.594 2.694 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001296196151 1064365607 /nfs/dbraw/zinc/36/56/07/1064365607.db2.gz XMEJNRLTNVWGFQ-FYYLOGMGSA-N 0 3 469.678 2.789 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(N3CCC[C@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296196369 1064366386 /nfs/dbraw/zinc/36/63/86/1064366386.db2.gz SBIYNAURZJDMHW-UGKGYDQZSA-N 0 3 471.698 2.899 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(N3CCC[C@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296196367 1064366594 /nfs/dbraw/zinc/36/65/94/1064366594.db2.gz SBIYNAURZJDMHW-KNQAVFIVSA-N 0 3 471.698 2.899 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)Cc2cscn2)CC1 ZINC001296196692 1064369588 /nfs/dbraw/zinc/36/95/88/1064369588.db2.gz ZCOUNMMSCQXKSJ-LJQANCHMSA-N 0 3 454.648 2.630 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296196740 1064369776 /nfs/dbraw/zinc/36/97/76/1064369776.db2.gz ZUQZWJSIMAXYLF-JOCHJYFZSA-N 0 3 482.673 2.726 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001296196939 1064370303 /nfs/dbraw/zinc/37/03/03/1064370303.db2.gz WDFBTOIVZZJXNJ-DHIUTWEWSA-N 0 3 498.672 2.829 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296196990 1064371155 /nfs/dbraw/zinc/37/11/55/1064371155.db2.gz XNKBHIKPUKNKEP-UXHICEINSA-N 0 3 475.682 2.875 20 0 JFADHN CCN1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001296202567 1064378651 /nfs/dbraw/zinc/37/86/51/1064378651.db2.gz FXVWPWMLLVNQJI-KDURUIRLSA-N 0 3 490.603 2.681 20 0 JFADHN CCN1CCN(CCCn2c(C)nnc2N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)CC1 ZINC001296203028 1064379286 /nfs/dbraw/zinc/37/92/86/1064379286.db2.gz GZKZNHBGIXHNGJ-NRFANRHFSA-N 0 3 464.561 2.793 20 0 JFADHN CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001296203540 1064381211 /nfs/dbraw/zinc/38/12/11/1064381211.db2.gz AWHLSKHUWRJVFQ-FPOVZHCZSA-N 0 3 492.665 2.544 20 0 JFADHN CCN1CCN(CCCn2c(C(C)C)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296203760 1064382826 /nfs/dbraw/zinc/38/28/26/1064382826.db2.gz PAKJQLHVRVURME-HXUWFJFHSA-N 0 3 463.671 2.875 20 0 JFADHN CCN1CCN(CCCn2c(C)nnc2N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001296203749 1064382961 /nfs/dbraw/zinc/38/29/61/1064382961.db2.gz OTCMEOLLMJGYLR-CBQGHPETSA-N 0 3 475.682 2.981 20 0 JFADHN CCN1CCN(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCCOCC2)CC1 ZINC001296204048 1064384978 /nfs/dbraw/zinc/38/49/78/1064384978.db2.gz QEWWIJVCFCEUPI-HXUWFJFHSA-N 0 3 460.598 2.812 20 0 JFADHN CCN1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001296204243 1064385754 /nfs/dbraw/zinc/38/57/54/1064385754.db2.gz IXMCRPZBFGEPOS-FGZHOGPDSA-N 0 3 462.683 2.984 20 0 JFADHN CCN1CCN(CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC=CCC2)CC1 ZINC001296204620 1064387127 /nfs/dbraw/zinc/38/71/27/1064387127.db2.gz XZPSDJSMBAHSNK-UHFFFAOYSA-N 0 3 472.037 2.655 20 0 JFADHN CCN1CCN(CCCn2c(CCc3ccccc3)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296211303 1064401988 /nfs/dbraw/zinc/40/19/88/1064401988.db2.gz MFMWQTVDVQTIGX-LADGPHEKSA-N 0 3 454.663 2.952 20 0 JFADHN CCN1CCN(CCCn2c(CSc3ccc(Cl)cc3)nnc2N2CCS(=O)CC2)CC1 ZINC001296213299 1064408130 /nfs/dbraw/zinc/40/81/30/1064408130.db2.gz GVBUEBILJOPMHI-UHFFFAOYSA-N 0 3 497.134 2.820 20 0 JFADHN CCN1CCN(CCCn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC001296216028 1064421589 /nfs/dbraw/zinc/42/15/89/1064421589.db2.gz YUYOTRDOGPWQIA-DHYKOVJISA-N 0 3 474.675 2.531 20 0 JFADHN CCn1nc(-c2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CCN(C)CCOC)c2ccccc2c1=O ZINC001296216564 1064424437 /nfs/dbraw/zinc/42/44/37/1064424437.db2.gz PNIUPMJGVUROGZ-QZTJIDSGSA-N 0 3 485.658 2.583 20 0 JFADHN CCn1nc(-c2nnc(N3C[C@H](C)CC[C@H]3C)n2CCN(C)CCOC)c2ccccc2c1=O ZINC001296216755 1064424949 /nfs/dbraw/zinc/42/49/49/1064424949.db2.gz SAMBWUBRILYZKK-RTBURBONSA-N 0 3 467.618 2.878 20 0 JFADHN CCNC(=O)C(C)(C)Cn1c(N2CCN(C3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001296251764 1064515803 /nfs/dbraw/zinc/51/58/03/1064515803.db2.gz UCXVEDCNFXKYAN-VWLOTQADSA-N 0 3 476.666 2.546 20 0 JFADHN CC[C@H](c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCC(=O)N(C)C)c1ccccc1 ZINC001291891083 1064516628 /nfs/dbraw/zinc/51/66/28/1064516628.db2.gz CVNWUZQEUCXKSA-OFNKIYASSA-N 0 3 468.646 2.988 20 0 JFADHN CCCCS(=O)(=O)N1CCC(C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)CC1 ZINC001296256388 1064520310 /nfs/dbraw/zinc/52/03/10/1064520310.db2.gz BIZXHNVWNZNJAL-UHFFFAOYSA-N 0 3 451.633 2.596 20 0 JFADHN CC(C)(O)CN1CCc2c(cccc2NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC001296256936 1064521232 /nfs/dbraw/zinc/52/12/32/1064521232.db2.gz HEHDQAOVABTMTK-UHFFFAOYSA-N 0 3 452.523 2.993 20 0 JFADHN CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001291940745 1064556355 /nfs/dbraw/zinc/55/63/55/1064556355.db2.gz ISFJGDQUFPALJU-ILWGZMRPSA-N 0 3 476.666 2.714 20 0 JFADHN CCN(C(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001291945577 1064560310 /nfs/dbraw/zinc/56/03/10/1064560310.db2.gz MIPQXQPCXAXSDN-CNNODRBYSA-N 0 3 459.612 2.643 20 0 JFADHN CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCNC(=O)[C@@H]1CC)N1CCOCC1 ZINC001291956203 1064571177 /nfs/dbraw/zinc/57/11/77/1064571177.db2.gz ZMPJXWYTGLHIRR-XZOQPEGZSA-N 0 3 484.645 2.806 20 0 JFADHN CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCNC(=O)[C@H]1CC)N1CCOCC1 ZINC001291956198 1064571264 /nfs/dbraw/zinc/57/12/64/1064571264.db2.gz ZMPJXWYTGLHIRR-DHIUTWEWSA-N 0 3 484.645 2.806 20 0 JFADHN CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nccs2)C1)N(C)C ZINC001291970142 1064585977 /nfs/dbraw/zinc/58/59/77/1064585977.db2.gz ZWEYDCMUZVBABI-FHWLQOOXSA-N 0 3 496.703 2.581 20 0 JFADHN CCC(CC)c1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCC3)CC2)on1 ZINC001291979329 1064594396 /nfs/dbraw/zinc/59/43/96/1064594396.db2.gz ZRRBQJKRLJIEPP-KRWDZBQOSA-N 0 3 493.678 2.893 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CCN1CCC[C@@H](C)C1 ZINC001291985583 1064597466 /nfs/dbraw/zinc/59/74/66/1064597466.db2.gz ALKUMYHHBXEDEQ-OSFYOIPJSA-N 0 3 475.682 2.812 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@H](C)N1CCC(C)CC1 ZINC001291987540 1064600978 /nfs/dbraw/zinc/60/09/78/1064600978.db2.gz CMGZJCKJQZRQLQ-SFHVURJKSA-N 0 3 463.671 2.668 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N(C)C2CCN(Cc3ccccc3)CC2)n1C[C@H]1COCCO1 ZINC001291989038 1064603840 /nfs/dbraw/zinc/60/38/40/1064603840.db2.gz LHJZXFIKKCTVPY-QHCPKHFHSA-N 0 3 484.645 2.713 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CC1(OC)CCCC1 ZINC001292055775 1064724929 /nfs/dbraw/zinc/72/49/29/1064724929.db2.gz VRSUYBZZDMHPNT-UHFFFAOYSA-N 0 3 476.666 2.704 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1CCN1CCCC(C)(C)C1 ZINC001292062485 1064732389 /nfs/dbraw/zinc/73/23/89/1064732389.db2.gz UZPQUJKGMASQLK-UHFFFAOYSA-N 0 3 475.682 2.766 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@H]1CC1(C)C ZINC001292063674 1064737902 /nfs/dbraw/zinc/73/79/02/1064737902.db2.gz XKIBCBYLUYIWIQ-TZIWHRDSSA-N 0 3 459.683 2.847 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3ccc(F)cc3)C2)n1CCN1CCC[C@H]1C ZINC001292066079 1064743503 /nfs/dbraw/zinc/74/35/03/1064743503.db2.gz JIVVMJWRBNQYIM-IQGLISFBSA-N 0 3 472.609 2.918 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CCSC3)C2)n1C[C@@]1(N(C)C)CCSC1 ZINC001292077476 1064759676 /nfs/dbraw/zinc/75/96/76/1064759676.db2.gz YLLOODPHRQUYED-VXKWHMMOSA-N 0 3 466.721 2.967 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1C[C@@]1(N(C)C)CCSC1 ZINC001292102465 1064793343 /nfs/dbraw/zinc/79/33/43/1064793343.db2.gz RQAKQQNYBZWSGG-PWHSHALESA-N 0 3 464.680 2.782 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCCN(c3ncccc3F)CC2)n1C[C@@H]1CCCN1CC ZINC001292105504 1064799138 /nfs/dbraw/zinc/79/91/38/1064799138.db2.gz MAANNLFOJKFPDM-FQEVSTJZSA-N 0 3 486.640 2.932 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCc1n[nH]c(C)n1 ZINC001292125472 1064869811 /nfs/dbraw/zinc/86/98/11/1064869811.db2.gz UKVPUPDOENDCJA-GOSISDBHSA-N 0 3 479.633 2.576 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCc1nc(C)n[nH]1 ZINC001292125472 1064869817 /nfs/dbraw/zinc/86/98/17/1064869817.db2.gz UKVPUPDOENDCJA-GOSISDBHSA-N 0 3 479.633 2.576 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1ccsc1 ZINC001292126347 1064873114 /nfs/dbraw/zinc/87/31/14/1064873114.db2.gz NSKHFQSOKLUKGF-QGZVFWFLSA-N 0 3 460.648 2.996 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1csc(C)c1 ZINC001292126377 1064875125 /nfs/dbraw/zinc/87/51/25/1064875125.db2.gz OAVSPDUYCCQWLM-UHFFFAOYSA-N 0 3 460.648 2.916 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@H]2CC)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001292133574 1064888844 /nfs/dbraw/zinc/88/88/44/1064888844.db2.gz IGQGGWUYRAPAAD-RTWAWAEBSA-N 0 3 469.634 2.523 20 0 JFADHN CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1)c1ccc(C(F)(F)F)cc1 ZINC001292142653 1064910235 /nfs/dbraw/zinc/91/02/35/1064910235.db2.gz ZCZHUMULWDQETA-CEXWTWQISA-N 0 3 451.493 2.634 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001292145274 1064919003 /nfs/dbraw/zinc/91/90/03/1064919003.db2.gz SZDFLSSHMZBEIN-HJNYFJLDSA-N 0 3 476.666 2.701 20 0 JFADHN CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)NC(=O)OC(C)(C)C ZINC001292172155 1064958382 /nfs/dbraw/zinc/95/83/82/1064958382.db2.gz JFHVYFAHLLYYCK-XUVXKRRUSA-N 0 3 491.681 2.838 20 0 JFADHN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC001292243901 1065027169 /nfs/dbraw/zinc/02/71/69/1065027169.db2.gz PZXGQVCLKLLXHY-OAQYLSRUSA-N 0 3 499.660 2.868 20 0 JFADHN CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)O1 ZINC001292304936 1065075283 /nfs/dbraw/zinc/07/52/83/1065075283.db2.gz OGDBIVIOSNNDTQ-ZYLNGJIFSA-N 0 3 460.667 2.957 20 0 JFADHN CC[C@@]1(C)CN(c2nnc(-c3ccc(C)o3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001292353532 1065098072 /nfs/dbraw/zinc/09/80/72/1065098072.db2.gz KUSCOEAYVPSCEF-CYFREDJKSA-N 0 3 458.607 2.795 20 0 JFADHN COc1cc2nc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCCC3)c(=O)n(C)c2cc1OC ZINC001292379150 1065122574 /nfs/dbraw/zinc/12/25/74/1065122574.db2.gz ZLSGQTLGPROHEQ-FQEVSTJZSA-N 0 3 450.539 2.826 20 0 JFADHN COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N(CCN(C)C)Cc1ccccc1)CC2 ZINC001292456490 1065177872 /nfs/dbraw/zinc/17/78/72/1065177872.db2.gz QKUVIOWWDWYNBS-UHFFFAOYSA-N 0 3 453.583 2.959 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](COC(C)C)C2)N(C)C)cc1 ZINC001292457272 1065179060 /nfs/dbraw/zinc/17/90/60/1065179060.db2.gz JMECXRLVEIAUOW-ZRBLBEILSA-N 0 3 484.645 2.725 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@H]2CCCOC2)N(C)C)cc1 ZINC001292458325 1065181543 /nfs/dbraw/zinc/18/15/43/1065181543.db2.gz ORTVHVCQHKEMCU-HJNYFJLDSA-N 0 3 454.619 2.957 20 0 JFADHN CCc1ccc([C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(CC)Cc2cnn(C)c2)N(C)C)cc1 ZINC001292458450 1065182358 /nfs/dbraw/zinc/18/23/58/1065182358.db2.gz OYSVKEHNWMLQAQ-FGZHOGPDSA-N 0 3 464.618 2.855 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)N(C)C)cc1 ZINC001292459642 1065185459 /nfs/dbraw/zinc/18/54/59/1065185459.db2.gz DHAHIAOITIEZSO-GGAORHGYSA-N 0 3 454.619 2.752 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(OCC(N)=O)CC2)N(C)C)cc1 ZINC001292460186 1065187123 /nfs/dbraw/zinc/18/71/23/1065187123.db2.gz HIDGOXAOVVCFRX-XZOQPEGZSA-N 0 3 484.645 2.856 20 0 JFADHN CCc1ccc([C@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](C(N)=O)C2)N(C)C)cc1 ZINC001292461528 1065190263 /nfs/dbraw/zinc/19/02/63/1065190263.db2.gz OOLDGPMBFLVCIW-PKTZIBPZSA-N 0 3 461.614 2.831 20 0 JFADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)COCCNC(=O)OC(C)(C)C ZINC001292464657 1065193463 /nfs/dbraw/zinc/19/34/63/1065193463.db2.gz DZNLAXXJMYEYBB-UHFFFAOYSA-N 0 3 458.397 2.881 20 0 JFADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001292469980 1065195975 /nfs/dbraw/zinc/19/59/75/1065195975.db2.gz CKZXMESHGBKHAT-RTBURBONSA-N 0 3 450.461 2.566 20 0 JFADHN CCc1ccc(-c2nnc(N(CC)[C@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)cc1 ZINC001292475793 1065200365 /nfs/dbraw/zinc/20/03/65/1065200365.db2.gz DOEOXKHSDLOMBJ-QFIPXVFZSA-N 0 3 488.702 2.547 20 0 JFADHN CCc1ccc(-c2nnc(N3CCC[C@H](CNC(C)=O)C3)n2C[C@H](C)N2CCN(CC)CC2)cc1 ZINC001292507168 1065225066 /nfs/dbraw/zinc/22/50/66/1065225066.db2.gz IVUKNNNTRXGTFO-XUZZJYLKSA-N 0 3 481.689 2.886 20 0 JFADHN CCc1ccc(-c2nnc(N3CCC[C@H](CNC(C)=O)C3)n2C[C@@H](C)N2CCN(CC)CC2)cc1 ZINC001292507170 1065225102 /nfs/dbraw/zinc/22/51/02/1065225102.db2.gz IVUKNNNTRXGTFO-ZJSXRUAMSA-N 0 3 481.689 2.886 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2C[C@H](CC)OC)cc1 ZINC001292513784 1065234642 /nfs/dbraw/zinc/23/46/42/1065234642.db2.gz NKEUQCILOCOIKB-VXKWHMMOSA-N 0 3 454.619 2.675 20 0 JFADHN CCc1nnc(N2CCO[C@H](c3ccc(CC)cc3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001292542990 1065264742 /nfs/dbraw/zinc/26/47/42/1065264742.db2.gz ZNQDIGKAZDVBEZ-GOTSBHOMSA-N 0 3 468.646 2.924 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CC[C@H](OC)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001292618405 1065353652 /nfs/dbraw/zinc/35/36/52/1065353652.db2.gz AQJPRJYQWFLFGD-NRFANRHFSA-N 0 3 456.635 2.671 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001292619807 1065356642 /nfs/dbraw/zinc/35/66/42/1065356642.db2.gz PMQZGPZAVWCQLO-AKFKNWHVSA-N 0 3 484.689 2.900 20 0 JFADHN CCc1cnc(CCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)s1 ZINC001292626434 1065363357 /nfs/dbraw/zinc/36/33/57/1065363357.db2.gz JFJVTAZSJZYCNF-LJQANCHMSA-N 0 3 473.691 2.871 20 0 JFADHN CCc1nc(CCn2c(COc3ccccc3OC)nnc2N2CCN(C(C)(C)C)CC2)no1 ZINC001292718096 1065474092 /nfs/dbraw/zinc/47/40/92/1065474092.db2.gz LGUIWDJXXUWXOO-UHFFFAOYSA-N 0 3 469.590 2.974 20 0 JFADHN CCc1nc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)cs1 ZINC001292729549 1065490903 /nfs/dbraw/zinc/49/09/03/1065490903.db2.gz UCGVUAOSCKLFBZ-QZTJIDSGSA-N 0 3 480.704 2.956 20 0 JFADHN CCc1nn(C)c(OC)c1Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001292780353 1065539528 /nfs/dbraw/zinc/53/95/28/1065539528.db2.gz BXRQUOGTLVXTNA-MSOLQXFVSA-N 0 3 452.607 2.536 20 0 JFADHN CCc1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1CCN1CCN(C)C(C)(C)C1 ZINC001292876727 1065582735 /nfs/dbraw/zinc/58/27/35/1065582735.db2.gz VCSGZMJWWDKDSX-UHFFFAOYSA-N 0 3 452.607 2.542 20 0 JFADHN CN(C)CCSc1nc(CC(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)cs1 ZINC001292888436 1065585804 /nfs/dbraw/zinc/58/58/04/1065585804.db2.gz LHRGPNZPZWACJD-UHFFFAOYSA-N 0 3 458.606 2.657 20 0 JFADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1C[C@H](C)Oc1ccc(F)cc1 ZINC001292893219 1065593060 /nfs/dbraw/zinc/59/30/60/1065593060.db2.gz MKZGMOZFCNPVTQ-SFYKDHMMSA-N 0 3 472.609 2.826 20 0 JFADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCOc1c(C)cccc1C ZINC001292893428 1065594286 /nfs/dbraw/zinc/59/42/86/1065594286.db2.gz NVGYHGALKQHTGZ-JTHBVZDNSA-N 0 3 468.646 2.915 20 0 JFADHN CCc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001292924618 1065616840 /nfs/dbraw/zinc/61/68/40/1065616840.db2.gz YZBFIOVLDMDKTH-JOCHJYFZSA-N 0 3 473.710 2.589 20 0 JFADHN CCc1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001292925343 1065618443 /nfs/dbraw/zinc/61/84/43/1065618443.db2.gz UVLUANPJXYVYSU-UHFFFAOYSA-N 0 3 499.679 2.847 20 0 JFADHN CCc1nnc(N2CCC(CN3CCOCC3)CC2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001292960662 1065639430 /nfs/dbraw/zinc/63/94/30/1065639430.db2.gz FWOLNHDKQMAIKH-UHFFFAOYSA-N 0 3 468.524 2.882 20 0 JFADHN CCc1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001292961062 1065641164 /nfs/dbraw/zinc/64/11/64/1065641164.db2.gz RUIMDNXBDGXUHN-JOCHJYFZSA-N 0 3 470.666 2.513 20 0 JFADHN CCc1nnc(N2CCC(N(C)S(=O)(=O)CC)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001292969961 1065649494 /nfs/dbraw/zinc/64/94/94/1065649494.db2.gz DDPQWAMEKZXKRW-FQEVSTJZSA-N 0 3 466.627 2.533 20 0 JFADHN CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001292978793 1065659905 /nfs/dbraw/zinc/65/99/05/1065659905.db2.gz XIMLXAVBIVBWDY-LJQANCHMSA-N 0 3 487.718 2.883 20 0 JFADHN CCN1CCN([C@@H](C)CNC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1 ZINC001292985131 1065668834 /nfs/dbraw/zinc/66/88/34/1065668834.db2.gz CLKOTEUBTMJAFV-URXFXBBRSA-N 0 3 452.599 2.666 20 0 JFADHN CCc1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001292986598 1065671843 /nfs/dbraw/zinc/67/18/43/1065671843.db2.gz FAHIHIJFZRYIGW-OFVILXPXSA-N 0 3 489.064 2.621 20 0 JFADHN CCc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001292991108 1065677726 /nfs/dbraw/zinc/67/77/26/1065677726.db2.gz HONPKQZLMACWCE-HSZRJFAPSA-N 0 3 493.612 2.694 20 0 JFADHN CCc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001293027332 1065699740 /nfs/dbraw/zinc/69/97/40/1065699740.db2.gz KUAMWICWYKFPGO-FQEVSTJZSA-N 0 3 488.702 2.785 20 0 JFADHN CCc1nnc(N2CCC[C@H](Nc3ccccc3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001293044508 1065709451 /nfs/dbraw/zinc/70/94/51/1065709451.db2.gz KWPKSZNKTJZGGE-VXKWHMMOSA-N 0 3 453.635 2.864 20 0 JFADHN COC(=O)COc1c(C)cc(C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)cc1C ZINC001293065851 1065717107 /nfs/dbraw/zinc/71/71/07/1065717107.db2.gz NGDREJQPRDUHSR-UHFFFAOYSA-N 0 3 453.583 2.745 20 0 JFADHN CCc1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001293081136 1065730146 /nfs/dbraw/zinc/73/01/46/1065730146.db2.gz FHZDNCLZUULHCY-GOSISDBHSA-N 0 3 492.043 2.621 20 0 JFADHN CCc1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@@H](c1ccsc1)N(CC)CC ZINC001293104796 1065752375 /nfs/dbraw/zinc/75/23/75/1065752375.db2.gz SSFIMQHPXPKNDR-IBGZPJMESA-N 0 3 456.620 2.572 20 0 JFADHN CC(C)CN(CCN(C)C)C(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001293107509 1065753924 /nfs/dbraw/zinc/75/39/24/1065753924.db2.gz MDHATDWDYBNHMD-XMMPIXPASA-N 0 3 453.583 2.932 20 0 JFADHN CCc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001293110917 1065755853 /nfs/dbraw/zinc/75/58/53/1065755853.db2.gz HWKPDBKIVGHDDE-KRWDZBQOSA-N 0 3 481.476 2.895 20 0 JFADHN CCc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001293119613 1065767669 /nfs/dbraw/zinc/76/76/69/1065767669.db2.gz LMICBISDVOIRTL-GMAHTHKFSA-N 0 3 467.662 2.666 20 0 JFADHN CCc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001293121055 1065771075 /nfs/dbraw/zinc/77/10/75/1065771075.db2.gz WCDGLOZBNBZIEH-HSZRJFAPSA-N 0 3 485.652 2.807 20 0 JFADHN COCCN(CCN(C)C)C(=O)c1cc(I)ccc1Br ZINC001293188648 1065813684 /nfs/dbraw/zinc/81/36/84/1065813684.db2.gz REDSYBHJIHIGEM-UHFFFAOYSA-N 0 3 455.134 2.704 20 0 JFADHN CC1(C)CN(C2(CNC(=O)CNS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)CCO1 ZINC001293218300 1065861968 /nfs/dbraw/zinc/86/19/68/1065861968.db2.gz CMWNXWIGPDLGQF-UHFFFAOYSA-N 0 3 458.024 2.548 20 0 JFADHN CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)C1 ZINC001293220039 1065868882 /nfs/dbraw/zinc/86/88/82/1065868882.db2.gz QSTOCENPYLQVLA-IBGZPJMESA-N 0 3 453.624 2.942 20 0 JFADHN CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001293254545 1065918502 /nfs/dbraw/zinc/91/85/02/1065918502.db2.gz ZCGDQCUDSNIEND-RBUKOAKNSA-N 0 3 454.623 2.576 20 0 JFADHN CC[C@@H]1C[C@@H](C)CN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001293298896 1065939690 /nfs/dbraw/zinc/93/96/90/1065939690.db2.gz DCPDTLPFWHZHQP-DNRQZRRGSA-N 0 3 462.683 2.970 20 0 JFADHN O=C(COc1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC001293362923 1065966746 /nfs/dbraw/zinc/96/67/46/1065966746.db2.gz PQFVIOHBZLLFBH-LJQANCHMSA-N 0 3 450.377 2.516 20 0 JFADHN CC[C@@H]1CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001293432596 1066004904 /nfs/dbraw/zinc/00/49/04/1066004904.db2.gz WOIQHISTLUGSBU-YPAWHYETSA-N 0 3 490.674 2.601 20 0 JFADHN CC[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)CN2CCN(CC)CC2)C1 ZINC001293457086 1066013897 /nfs/dbraw/zinc/01/38/97/1066013897.db2.gz SHRCZJWQDJOXJV-RQTOMXEWSA-N 0 3 462.683 2.829 20 0 JFADHN CC(C)N1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)C1 ZINC001293491041 1066025109 /nfs/dbraw/zinc/02/51/09/1066025109.db2.gz IBPURGQOKTZVAZ-INIZCTEOSA-N 0 3 457.604 2.784 20 0 JFADHN CC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCN2CCN(CC)CC2)CCO1 ZINC001293511508 1066037876 /nfs/dbraw/zinc/03/78/76/1066037876.db2.gz WRSJLMVENCOANL-QHCPKHFHSA-N 0 3 483.661 2.790 20 0 JFADHN CC[C@@H]1CN(c2nnc(C3CCCC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CCN1CCOC ZINC001293588196 1066096766 /nfs/dbraw/zinc/09/67/66/1066096766.db2.gz USFTYVHLSULDRO-QNWVGRARSA-N 0 3 462.683 2.982 20 0 JFADHN CC/C=C/Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001293712435 1066180220 /nfs/dbraw/zinc/18/02/20/1066180220.db2.gz RBPLQUWBAWRZNE-FERLCFGISA-N 0 3 452.603 2.587 20 0 JFADHN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CCN1CCCC1)c1ccccc1 ZINC001293770107 1066259738 /nfs/dbraw/zinc/25/97/38/1066259738.db2.gz HFLYNNRMIBRRDC-UHFFFAOYSA-N 0 3 457.596 2.759 20 0 JFADHN CCC[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001293798256 1066309123 /nfs/dbraw/zinc/30/91/23/1066309123.db2.gz QLHAORSXFRKGTR-SANMLTNESA-N 0 3 484.645 2.999 20 0 JFADHN CCC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001293804349 1066313514 /nfs/dbraw/zinc/31/35/14/1066313514.db2.gz BIOIRQNHERGLEL-CVDCTZTESA-N 0 3 462.042 2.761 20 0 JFADHN CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001293804348 1066313696 /nfs/dbraw/zinc/31/36/96/1066313696.db2.gz BIOIRQNHERGLEL-AUSIDOKSSA-N 0 3 462.042 2.761 20 0 JFADHN CCC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001293817571 1066324970 /nfs/dbraw/zinc/32/49/70/1066324970.db2.gz ISCIPWINULAEFB-SQJMNOBHSA-N 0 3 455.651 2.804 20 0 JFADHN CCC[C@@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001293835507 1066339782 /nfs/dbraw/zinc/33/97/82/1066339782.db2.gz KXAOJVILEAJDPY-WXVAWEFUSA-N 0 3 498.672 2.768 20 0 JFADHN CCC[C@H](C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001293866128 1066376542 /nfs/dbraw/zinc/37/65/42/1066376542.db2.gz XBEIRFCXDUVNJS-JAXLGGSGSA-N 0 3 476.666 2.762 20 0 JFADHN CC(C)(C)C(=O)N1CCO[C@H](C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC001293912889 1066398324 /nfs/dbraw/zinc/39/83/24/1066398324.db2.gz WGLZSTYGFJYWFJ-FQEVSTJZSA-N 0 3 451.995 2.573 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2Cc2cc(C)nn2C)CCN1CCOC ZINC001294066799 1066536737 /nfs/dbraw/zinc/53/67/37/1066536737.db2.gz JSFDLQZVJKWLLH-OAQYLSRUSA-N 0 3 467.618 2.981 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN2CCOC(C)(C)C2)CCN1CCOC ZINC001294066947 1066537269 /nfs/dbraw/zinc/53/72/69/1066537269.db2.gz JAFXMSSVBOEPPH-OAQYLSRUSA-N 0 3 474.650 2.894 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2Cc2cnn(C)c2C)CCN1CCOC ZINC001294067281 1066537747 /nfs/dbraw/zinc/53/77/47/1066537747.db2.gz HJLQMVNLGKUJCX-QFIPXVFZSA-N 0 3 467.618 2.981 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC)CCN1CCOC ZINC001294076109 1066545070 /nfs/dbraw/zinc/54/50/70/1066545070.db2.gz FPSGDPSQLHOYBY-GOSISDBHSA-N 0 3 463.652 2.585 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[C@H]2CCO[C@H](C)C2)CCN1CCOC ZINC001294077860 1066546924 /nfs/dbraw/zinc/54/69/24/1066546924.db2.gz STZJCDTUURTQON-RZUBCFFCSA-N 0 3 459.639 2.821 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCCC2(C)C)CCN1CCOC ZINC001294077884 1066547366 /nfs/dbraw/zinc/54/73/66/1066547366.db2.gz TYQRNSJPIILTTC-CYFREDJKSA-N 0 3 457.623 2.613 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[C@@H]2CCO[C@@H](C)C2)CCN1CCOC ZINC001294077861 1066547510 /nfs/dbraw/zinc/54/75/10/1066547510.db2.gz STZJCDTUURTQON-TUNNFDKTSA-N 0 3 459.639 2.821 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2ccccc2)CCN1CCOC ZINC001294078067 1066547866 /nfs/dbraw/zinc/54/78/66/1066547866.db2.gz VKJPLQFAAIMWPR-SQJMNOBHSA-N 0 3 465.602 2.580 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(O)cc2)CCN1CCOC ZINC001294078317 1066547972 /nfs/dbraw/zinc/54/79/72/1066547972.db2.gz YJKDNYUXVBXIHB-OAQYLSRUSA-N 0 3 453.591 2.564 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCc2ccn(C)n2)CCN1CCOC ZINC001294080903 1066549290 /nfs/dbraw/zinc/54/92/90/1066549290.db2.gz GRWKEYSSGSESRS-OAQYLSRUSA-N 0 3 452.607 2.562 20 0 JFADHN C[C@H]1CCN(C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CCN1Cc1ccccc1 ZINC001294090865 1066561364 /nfs/dbraw/zinc/56/13/64/1066561364.db2.gz WPNSWJZNMLDQMV-NRFANRHFSA-N 0 3 455.624 2.654 20 0 JFADHN COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCCN(CCNC(=O)c3ccc(F)cc3)C1)CC2 ZINC000033972467 569639440 /nfs/dbraw/zinc/63/94/40/569639440.db2.gz MWLKUSHZNSYRKK-HXUWFJFHSA-N 0 3 469.557 2.870 20 0 in-vitro JFADHN c1sc2nc(CN3CCOCC3)nc(N3CC[C@@H]4NCCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164391432 718824446 /nfs/dbraw/zinc/82/44/46/718824446.db2.gz VUNPXUHOBIBKQM-PMACEKPBSA-N 0 3 451.596 2.758 20 0 JFADHN CC(C)(c1ccnc(Cl)c1)N1CCC[C@@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001164430042 718956667 /nfs/dbraw/zinc/95/66/67/718956667.db2.gz UDOCOQWAPRACHB-CJFMBICVSA-N 0 3 485.032 2.838 20 0 JFADHN O=C(NCc1ccccc1)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164745089 720646759 /nfs/dbraw/zinc/64/67/59/720646759.db2.gz UIEONOFOVKDLGE-WOJBJXKFSA-N 0 3 464.957 2.797 20 0 JFADHN Clc1nc(Cl)c2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2n1 ZINC001164740065 720656052 /nfs/dbraw/zinc/65/60/52/720656052.db2.gz PLIGXQOEAMXGNL-ZJUUUORDSA-N 0 3 453.721 2.512 20 0 JFADHN FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741219 720841533 /nfs/dbraw/zinc/84/15/33/720841533.db2.gz DUCLNVFEOASIEP-RBSFLKMASA-N 0 3 455.966 2.935 20 0 JFADHN FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741219 720841536 /nfs/dbraw/zinc/84/15/36/720841536.db2.gz DUCLNVFEOASIEP-RBSFLKMASA-N 0 3 455.966 2.935 20 0 JFADHN c1ccc(CN2CCc3ncnc(N4CCN5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c3C2)cc1 ZINC001164868630 721059243 /nfs/dbraw/zinc/05/92/43/721059243.db2.gz OVAJASQLBKQOJP-RPWUZVMVSA-N 0 3 456.594 2.910 20 0 JFADHN Fc1ccccc1Cn1cnc2c1ncnc2N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865383 721106816 /nfs/dbraw/zinc/10/68/16/721106816.db2.gz KRBVUCUKZKCINK-NHCUHLMSSA-N 0 3 459.529 2.888 20 0 JFADHN Fc1ccccc1Cn1cnc2c1ncnc2N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865385 721107498 /nfs/dbraw/zinc/10/74/98/721107498.db2.gz KRBVUCUKZKCINK-SFTDATJTSA-N 0 3 459.529 2.888 20 0 JFADHN c1cncc(CO[C@H]2C[C@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CCN3C2)c1 ZINC001164865371 721107811 /nfs/dbraw/zinc/10/78/11/721107811.db2.gz KLTUOJGNCIRVCI-GOTSBHOMSA-N 0 3 472.597 2.799 20 0 JFADHN Cc1cc2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164863528 721109145 /nfs/dbraw/zinc/10/91/45/721109145.db2.gz CSMQYVTVBKJYPV-PMACEKPBSA-N 0 3 466.611 2.711 20 0 JFADHN COc1ccc(CN(C)c2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164879863 721176177 /nfs/dbraw/zinc/17/61/77/721176177.db2.gz UUDZPRNOMXUTRG-UPVQGACJSA-N 0 3 460.582 2.996 20 0 JFADHN Cn1cc(CN2CC[C@H]3CN(c4ncc(NC(=O)OC(C)(C)C)c5nc[nH]c54)C[C@H]3C2)cn1 ZINC001164770942 721188552 /nfs/dbraw/zinc/18/85/52/721188552.db2.gz PGMIKCRWHGRZGT-DLBZAZTESA-N 0 3 452.563 2.997 20 0 JFADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)ncn4)C[C@@H]3C2)cn1 ZINC001164773397 721212382 /nfs/dbraw/zinc/21/23/82/721212382.db2.gz WYKGXPNLFISIFE-YADHBBJMSA-N 0 3 476.604 2.634 20 0 JFADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164761087 721227164 /nfs/dbraw/zinc/22/71/64/721227164.db2.gz HHSYXGNESNCZPK-PKTZIBPZSA-N 0 3 459.598 2.672 20 0 JFADHN CN(C)C(=O)CN1CCOCC2(CCN(c3nc(N4CCCC4)cc4ccccc43)CC2)C1 ZINC001164875786 721287312 /nfs/dbraw/zinc/28/73/12/721287312.db2.gz GSYYJXWEDWKFMW-UHFFFAOYSA-N 0 3 451.615 2.842 20 0 JFADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5c4ccn5COC(=O)C(C)(C)C)C3)O2)CC1 ZINC001164891989 721411776 /nfs/dbraw/zinc/41/17/76/721411776.db2.gz XUAZNJVZHRVJOF-FQRUVTKNSA-N 0 3 484.645 2.744 20 0 JFADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C3)O2)CC1 ZINC001164888683 721438811 /nfs/dbraw/zinc/43/88/11/721438811.db2.gz AIQGILWBPIBQFN-MGPUTAFESA-N 0 3 454.953 2.922 20 0 JFADHN c1ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c(N3CCOCC3)nc2c1 ZINC001164982506 722115882 /nfs/dbraw/zinc/11/58/82/722115882.db2.gz WUFFTLFVMBLEJR-URXFXBBRSA-N 0 3 460.582 2.589 20 0 JFADHN Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982704 722125077 /nfs/dbraw/zinc/12/50/77/722125077.db2.gz XSOPVADRLWCLLK-ZWKOTPCHSA-N 0 3 479.412 2.742 20 0 JFADHN COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164981891 722127009 /nfs/dbraw/zinc/12/70/09/722127009.db2.gz VKDMSFJGAZIKDA-MAUKXSAKSA-N 0 3 456.934 2.520 20 0 JFADHN CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164974190 722144080 /nfs/dbraw/zinc/14/40/80/722144080.db2.gz CMNUEPWHSCHMKL-FYYLOGMGSA-N 0 3 473.643 2.528 20 0 JFADHN CN(C(=O)c1ccc(NC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)cc1)[C@H]1CCCN(C)C1 ZINC001265246724 1059805014 /nfs/dbraw/zinc/80/50/14/1059805014.db2.gz DECHTXLXYZGQEH-SFHVURJKSA-N 0 3 453.543 2.850 20 0 JFADHN CO[C@@]1(C)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCC2)C1 ZINC001299748514 1059974369 /nfs/dbraw/zinc/97/43/69/1059974369.db2.gz DJIJLAPAUIIONB-QHCPKHFHSA-N 0 3 461.632 2.840 20 0 JFADHN CC(=O)N1CCCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001286865032 1061245200 /nfs/dbraw/zinc/24/52/00/1061245200.db2.gz RASCFUWKKKPZNT-JOCHJYFZSA-N 0 3 451.550 2.841 20 0 JFADHN Cc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCc2ccc(S(N)(=O)=O)cc2)o1 ZINC001289600703 1061245241 /nfs/dbraw/zinc/24/52/41/1061245241.db2.gz NKNIWZIDPMPUKE-UHFFFAOYSA-N 0 3 472.615 2.515 20 0 JFADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3Cc3ccc(OC(F)(F)F)cc3)C[C@H]2C)CC1 ZINC001286868932 1061259396 /nfs/dbraw/zinc/25/93/96/1061259396.db2.gz CRFXISLRXZZIMV-IERDGZPVSA-N 0 3 480.535 2.912 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccn4C)n3C[C@](C)(O)CCC(C)C)C[C@@H]2C)CC1 ZINC001286871194 1061270901 /nfs/dbraw/zinc/27/09/01/1061270901.db2.gz MREQZFMAEKBXCG-YEEURNOCSA-N 0 3 499.704 2.850 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CCCOCC3CCOCC3)C[C@H]2C)CC1 ZINC001286872201 1061277537 /nfs/dbraw/zinc/27/75/37/1061277537.db2.gz TXBPHQFIAZWGPN-ZJSXRUAMSA-N 0 3 490.693 2.614 20 0 JFADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccccn4)n3CCSC(C)C)C[C@@H]2C)CC1 ZINC001286872970 1061284002 /nfs/dbraw/zinc/28/40/02/1061284002.db2.gz ZLBVUXLEZNYKJX-SIKLNZKXSA-N 0 3 471.675 2.861 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H](C)N2CCC(C)CC2)cc1C ZINC001289728898 1061338664 /nfs/dbraw/zinc/33/86/64/1061338664.db2.gz JUZURIJJILMMMJ-PMACEKPBSA-N 0 3 467.618 2.579 20 0 JFADHN Cc1ccc(NC(=O)c2nnc(N3CCN(C(C)C)CC3)n2CCN2CCSCC2)cc1C ZINC001289741228 1061356371 /nfs/dbraw/zinc/35/63/71/1061356371.db2.gz TZFBKPCWYRCUPP-UHFFFAOYSA-N 0 3 471.675 2.726 20 0 JFADHN CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)cc1 ZINC001286895675 1061376066 /nfs/dbraw/zinc/37/60/66/1061376066.db2.gz YOGBNEQFVULYNB-CJFMBICVSA-N 0 3 495.672 2.862 20 0 JFADHN Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2CCN2CCN(C)C(C)(C)C2)cc1C ZINC001289804634 1061440896 /nfs/dbraw/zinc/44/08/96/1061440896.db2.gz BFFLFVNVSWWGRY-UHFFFAOYSA-N 0 3 470.662 2.709 20 0 JFADHN Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC(C)(C)CN(C)C)cc1C ZINC001289808601 1061451629 /nfs/dbraw/zinc/45/16/29/1061451629.db2.gz KADXOZGYXMZROL-FQEVSTJZSA-N 0 3 463.648 2.685 20 0 JFADHN CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001286910999 1061460233 /nfs/dbraw/zinc/46/02/33/1061460233.db2.gz DXFPYKPTXVJJFL-VQTJNVASSA-N 0 3 453.616 2.733 20 0 JFADHN Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC(C)(C)CN(C)C)cc1 ZINC001289817674 1061472156 /nfs/dbraw/zinc/47/21/56/1061472156.db2.gz CBHUJORIHILZNX-HXUWFJFHSA-N 0 3 463.648 2.767 20 0 JFADHN CC(=O)NC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCCCC2)CC1 ZINC001286915250 1061492052 /nfs/dbraw/zinc/49/20/52/1061492052.db2.gz NEOBSJNBEIMIDN-UHFFFAOYSA-N 0 3 467.618 2.738 20 0 JFADHN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CC2(C(N)=O)CCCC2)cc1 ZINC001289825509 1061496707 /nfs/dbraw/zinc/49/67/07/1061496707.db2.gz AWKAGOKSZJPBSN-UHFFFAOYSA-N 0 3 454.619 2.989 20 0 JFADHN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CCCc2cnn(C)n2)cc1 ZINC001289825691 1061498679 /nfs/dbraw/zinc/49/86/79/1061498679.db2.gz GPJCDZMYMCOSHM-UHFFFAOYSA-N 0 3 452.607 2.705 20 0 JFADHN Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CCN2CCN(C)C(C)(C)C2)cc1 ZINC001289826303 1061501697 /nfs/dbraw/zinc/50/16/97/1061501697.db2.gz SWPJVWUWUUIZSY-UHFFFAOYSA-N 0 3 491.631 2.579 20 0 JFADHN Cc1ccc(OCCCn2c(C(=O)NC(C)C)nnc2N2CCC(CN3CCOCC3)CC2)cc1 ZINC001289842517 1061517377 /nfs/dbraw/zinc/51/73/77/1061517377.db2.gz SCXBXCTVRQFNON-UHFFFAOYSA-N 0 3 484.645 2.742 20 0 JFADHN CC(=O)NC[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CC=CCC2)C1 ZINC001286922314 1061521989 /nfs/dbraw/zinc/52/19/89/1061521989.db2.gz SFZICDVEKOCXLD-QGZVFWFLSA-N 0 3 476.423 2.650 20 0 JFADHN CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001286923658 1061527312 /nfs/dbraw/zinc/52/73/12/1061527312.db2.gz PGPLGAZPGGUPAC-NRFANRHFSA-N 0 3 465.577 2.964 20 0 JFADHN CC(=O)NC[C@@H]1CN(c2nnc(C(C)C)n2CC(C)(C)N2CCc3ccccc3C2)CCO1 ZINC001286937205 1061579753 /nfs/dbraw/zinc/57/97/53/1061579753.db2.gz NWMJILCPGMXVBU-JOCHJYFZSA-N 0 3 454.619 2.580 20 0 JFADHN CN1CCC(N(Cc2ccccc2)C(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)CC1 ZINC001294100823 1061581192 /nfs/dbraw/zinc/58/11/92/1061581192.db2.gz FUOVJMBZTWADQD-UHFFFAOYSA-N 0 3 456.591 2.930 20 0 JFADHN CNC(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)cc1 ZINC001294110206 1061593855 /nfs/dbraw/zinc/59/38/55/1061593855.db2.gz JHFHEAKEAKGXJW-UHFFFAOYSA-N 0 3 451.571 2.538 20 0 JFADHN Cc1cccc(-c2nnc(N(C)CCN3CCOCC3)n2C[C@H](c2ccc(F)cc2)N(C)C)n1 ZINC001289932200 1061625844 /nfs/dbraw/zinc/62/58/44/1061625844.db2.gz SCFQRTJCMMHZSH-HSZRJFAPSA-N 0 3 467.593 2.859 20 0 JFADHN CC(=O)NCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001286947514 1061647648 /nfs/dbraw/zinc/64/76/48/1061647648.db2.gz ZAJUDVIRMIXSMY-JTHBVZDNSA-N 0 3 484.645 2.720 20 0 JFADHN CC(=O)NCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001286947512 1061647703 /nfs/dbraw/zinc/64/77/03/1061647703.db2.gz ZAJUDVIRMIXSMY-GGAORHGYSA-N 0 3 484.645 2.720 20 0 JFADHN CC(=O)NCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001286950423 1061680982 /nfs/dbraw/zinc/68/09/82/1061680982.db2.gz ZXKQJLNZXFQAFX-UHFFFAOYSA-N 0 3 491.434 2.535 20 0 JFADHN Cc1cccc(-c2nnc(N3CCN(CC(C)C)CC3)n2Cc2ccc(S(C)(=O)=O)cc2)n1 ZINC001289983272 1061705510 /nfs/dbraw/zinc/70/55/10/1061705510.db2.gz MEAGALAGEAMOSH-UHFFFAOYSA-N 0 3 468.627 2.878 20 0 JFADHN Cc1cccc([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCCN3CCC[C@H]3C(=O)N(C)C)C2)c1 ZINC001290000637 1061724156 /nfs/dbraw/zinc/72/41/56/1061724156.db2.gz GDCCJYRKEHUVHK-GOTSBHOMSA-N 0 3 495.672 2.661 20 0 JFADHN CCCCN(C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001294217700 1061728594 /nfs/dbraw/zinc/72/85/94/1061728594.db2.gz JZOGOFCLXVFWMV-XMMPIXPASA-N 0 3 491.658 2.709 20 0 JFADHN CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001294297057 1061785139 /nfs/dbraw/zinc/78/51/39/1061785139.db2.gz QISLSZKJADAOCY-PMACEKPBSA-N 0 3 489.665 2.893 20 0 JFADHN Cc1cccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CC2CCS(=O)(=O)CC2)c1 ZINC001290072540 1061800826 /nfs/dbraw/zinc/80/08/26/1061800826.db2.gz BNCHFTHKYNVSOD-UHFFFAOYSA-N 0 3 475.659 2.768 20 0 JFADHN Cc1cccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001290075239 1061804037 /nfs/dbraw/zinc/80/40/37/1061804037.db2.gz UKXYUBGZIXNKDB-UHFFFAOYSA-N 0 3 464.614 2.999 20 0 JFADHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCC2)C1 ZINC001294318751 1061819379 /nfs/dbraw/zinc/81/93/79/1061819379.db2.gz WOLVERNVMQHRCW-WOJBJXKFSA-N 0 3 482.633 2.542 20 0 JFADHN CC(C)(C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001286986978 1061867092 /nfs/dbraw/zinc/86/70/92/1061867092.db2.gz ZGVSMRCXUHLYHL-UHFFFAOYSA-N 0 3 486.636 2.719 20 0 JFADHN CC(C)(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O ZINC001287007870 1061932963 /nfs/dbraw/zinc/93/29/63/1061932963.db2.gz KBGSHVBMWNLLCY-MOPGFXCFSA-N 0 3 466.696 2.700 20 0 JFADHN Cc1ccccc1O[C@@H](C)Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001290198534 1061940140 /nfs/dbraw/zinc/94/01/40/1061940140.db2.gz CGSSBWVIAQPLRE-SFTDATJTSA-N 0 3 454.619 2.920 20 0 JFADHN CCN1CCN(c2ccc(NC(=O)Cc3sc(CS(C)(=O)=O)nc3C)c(C)c2)CC1 ZINC001290219026 1061967370 /nfs/dbraw/zinc/96/73/70/1061967370.db2.gz BCEBZHQUOQCJEK-UHFFFAOYSA-N 0 3 450.630 2.628 20 0 JFADHN C[C@@H]1CN(CCCCNC(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC001294413980 1061979182 /nfs/dbraw/zinc/97/91/82/1061979182.db2.gz GIYGWWJBKKEDEX-KNKQGSTJSA-N 0 3 458.603 2.969 20 0 JFADHN CC(C)(C)Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCOCC(F)(F)C(F)F ZINC001287036244 1062002372 /nfs/dbraw/zinc/00/23/72/1062002372.db2.gz VCPVEJPMBDKESW-MRXNPFEDSA-N 0 3 465.536 2.942 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001287042538 1062012974 /nfs/dbraw/zinc/01/29/74/1062012974.db2.gz CDTLDPQXVDQGAI-UHFFFAOYSA-N 0 3 459.904 2.593 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCOCCCO)CC1 ZINC001287042738 1062013421 /nfs/dbraw/zinc/01/34/21/1062013421.db2.gz FOFWZOHJPUYIHA-UHFFFAOYSA-N 0 3 454.575 2.920 20 0 JFADHN CC(C)(C)N1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CCC2)CC1 ZINC001287043217 1062014735 /nfs/dbraw/zinc/01/47/35/1062014735.db2.gz UHPGQOLAKKMXCK-UHFFFAOYSA-N 0 3 461.010 2.697 20 0 JFADHN CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)c1 ZINC001290298580 1062028030 /nfs/dbraw/zinc/02/80/30/1062028030.db2.gz NMQQENQUAPKGMK-UHFFFAOYSA-N 0 3 459.572 2.634 20 0 JFADHN CCCN(CC)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001294518943 1062054891 /nfs/dbraw/zinc/05/48/91/1062054891.db2.gz CNAIPZZOCPPQCB-QFIPXVFZSA-N 0 3 491.658 2.926 20 0 JFADHN CCCN(CC)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294527847 1062063887 /nfs/dbraw/zinc/06/38/87/1062063887.db2.gz QBKUJRYDMVXQAA-FQEVSTJZSA-N 0 3 458.632 2.636 20 0 JFADHN Cc1nc(Cc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)cs1 ZINC001290385838 1062089905 /nfs/dbraw/zinc/08/99/05/1062089905.db2.gz MIHUEQHOTIZMJE-GOSISDBHSA-N 0 3 466.677 2.522 20 0 JFADHN Cc1nc(Cc2nnc(N(C)CCN3CCOCC3)n2C[C@H](c2cccc(F)c2)N(C)C)cs1 ZINC001290402496 1062107780 /nfs/dbraw/zinc/10/77/80/1062107780.db2.gz YQCSQENYAHBUAP-JOCHJYFZSA-N 0 3 487.649 2.844 20 0 JFADHN CCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001294603275 1062113335 /nfs/dbraw/zinc/11/33/35/1062113335.db2.gz VYWVIICBUOTKPT-XMSQKQJNSA-N 0 3 470.618 2.751 20 0 JFADHN Cc1nc(Cc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CCN(C)Cc2ccc(F)cc2)cs1 ZINC001290416162 1062137712 /nfs/dbraw/zinc/13/77/12/1062137712.db2.gz ZHAKZKRIVPGLRO-HSZRJFAPSA-N 0 3 471.606 2.607 20 0 JFADHN Cc1nc(Cc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCN(C)Cc2ccc(F)cc2)cs1 ZINC001290416163 1062137769 /nfs/dbraw/zinc/13/77/69/1062137769.db2.gz ZHAKZKRIVPGLRO-QHCPKHFHSA-N 0 3 471.606 2.607 20 0 JFADHN Cc1nc(Cc2nnc(N3CCN(C(C)C)CC3)n2C[C@@H](C(C)C)N2CCOCC2)cs1 ZINC001290430952 1062188733 /nfs/dbraw/zinc/18/87/33/1062188733.db2.gz FGXBZUHTSZXFAI-NRFANRHFSA-N 0 3 461.680 2.521 20 0 JFADHN CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CC)Cc2ccc(OC)cc2)C1 ZINC001294655714 1062200407 /nfs/dbraw/zinc/20/04/07/1062200407.db2.gz BZCSKJPMMLXXJV-LEWJYISDSA-N 0 3 475.659 2.947 20 0 JFADHN CCCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)c2nccs2)C1 ZINC001294655886 1062200856 /nfs/dbraw/zinc/20/08/56/1062200856.db2.gz DDXDKLJRJYEYNK-SQNIBIBYSA-N 0 3 466.677 2.609 20 0 JFADHN CCCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CC)Cc2ccc(OC)cc2)C1 ZINC001294655722 1062201303 /nfs/dbraw/zinc/20/13/03/1062201303.db2.gz BZCSKJPMMLXXJV-SFTDATJTSA-N 0 3 475.659 2.947 20 0 JFADHN CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001294658404 1062204609 /nfs/dbraw/zinc/20/46/09/1062204609.db2.gz PNLYHGDZDBGVFY-JENIJYKNSA-N 0 3 455.694 2.632 20 0 JFADHN CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001294658408 1062204718 /nfs/dbraw/zinc/20/47/18/1062204718.db2.gz PNLYHGDZDBGVFY-ZHALLVOQSA-N 0 3 455.694 2.632 20 0 JFADHN CCCN1CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294661007 1062211684 /nfs/dbraw/zinc/21/16/84/1062211684.db2.gz HYNDZBPVBGOQNG-TZIWHRDSSA-N 0 3 463.623 2.753 20 0 JFADHN CCCN1CC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001294667539 1062222200 /nfs/dbraw/zinc/22/22/00/1062222200.db2.gz APCIEFTWTNFPNS-VXKWHMMOSA-N 0 3 459.660 2.809 20 0 JFADHN CCCN1CC[C@H](Cn2c(COc3cc(C)ccc3C)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294670349 1062228045 /nfs/dbraw/zinc/22/80/45/1062228045.db2.gz SMKLCANDIYSGOB-LEWJYISDSA-N 0 3 475.659 2.829 20 0 JFADHN CCCN1CC[C@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294672107 1062231026 /nfs/dbraw/zinc/23/10/26/1062231026.db2.gz YJLJFYLCASGMGE-UNMCSNQZSA-N 0 3 475.659 2.911 20 0 JFADHN CCCN1CCC(N(C)c2nnc([C@H]3COc4ccccc4O3)n2CC[S@@](=O)CC)CC1 ZINC001294684178 1062244091 /nfs/dbraw/zinc/24/40/91/1062244091.db2.gz SWQNNHOTLCGXCG-KTBRYMIGSA-N 0 3 461.632 2.870 20 0 JFADHN CN(C)Cc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)c1 ZINC001290472951 1062262748 /nfs/dbraw/zinc/26/27/48/1062262748.db2.gz JHLFBPFLEYQAFE-NRFANRHFSA-N 0 3 459.344 2.916 20 0 JFADHN CC(C)(CN1CCCC1)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001287094061 1062294008 /nfs/dbraw/zinc/29/40/08/1062294008.db2.gz HGLVBIKCSCCASS-FQEVSTJZSA-N 0 3 463.623 2.753 20 0 JFADHN CCCN1CCCN(c2nnc(COc3ccccc3OC)n2CCN2CCCCC2)CC1=O ZINC001294743915 1062333847 /nfs/dbraw/zinc/33/38/47/1062333847.db2.gz ZOBJFMARWMKQPF-UHFFFAOYSA-N 0 3 470.618 2.800 20 0 JFADHN CC(C)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001287114861 1062339481 /nfs/dbraw/zinc/33/94/81/1062339481.db2.gz TZFJKPOUWFDLQA-QHCPKHFHSA-N 0 3 461.614 2.871 20 0 JFADHN CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001287124857 1062384425 /nfs/dbraw/zinc/38/44/25/1062384425.db2.gz WDNUZLATQPEOEZ-HKUYNNGSSA-N 0 3 460.648 2.887 20 0 JFADHN CC(C)C(=O)NCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001287137116 1062476001 /nfs/dbraw/zinc/47/60/01/1062476001.db2.gz UDTKEMQKINIQBQ-QGZVFWFLSA-N 0 3 479.000 2.668 20 0 JFADHN CCCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N2CCC(C)CC2)CC1 ZINC001294811802 1062480213 /nfs/dbraw/zinc/48/02/13/1062480213.db2.gz PSYFMLJEHDGRCK-FQEVSTJZSA-N 0 3 496.660 2.788 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CCN(C)Cc2ccccc2)n1 ZINC001290626077 1062498328 /nfs/dbraw/zinc/49/83/28/1062498328.db2.gz UGYYWKKBWOWUIW-UHFFFAOYSA-N 0 3 492.672 2.966 20 0 JFADHN Cc1cc(C)n(Cc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H](c2cccs2)N(C)C)n1 ZINC001290636172 1062518190 /nfs/dbraw/zinc/51/81/90/1062518190.db2.gz UKZWWWPYKOSVTH-RTBURBONSA-N 0 3 470.647 2.596 20 0 JFADHN CCCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001294833340 1062522313 /nfs/dbraw/zinc/52/23/13/1062522313.db2.gz YYXJNKWNVBDSIJ-QHCPKHFHSA-N 0 3 495.672 2.754 20 0 JFADHN CC(C)[C@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001287153245 1062530744 /nfs/dbraw/zinc/53/07/44/1062530744.db2.gz MCAWMZSMPDWDRS-YADARESESA-N 0 3 461.582 2.562 20 0 JFADHN CC(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCOC1)N1CCCC1 ZINC001287156349 1062543116 /nfs/dbraw/zinc/54/31/16/1062543116.db2.gz INVNZXLJVZWUNL-UGKGYDQZSA-N 0 3 475.659 2.942 20 0 JFADHN CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001287156924 1062545798 /nfs/dbraw/zinc/54/57/98/1062545798.db2.gz RVEYFBMEJANXBH-PZJWPPBQSA-N 0 3 460.648 2.864 20 0 JFADHN CC(C)c1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001287191200 1062616727 /nfs/dbraw/zinc/61/67/27/1062616727.db2.gz AERDDNBXPOBUIG-OPAMFIHVSA-N 0 3 459.620 2.580 20 0 JFADHN CC(C)c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001287191710 1062618155 /nfs/dbraw/zinc/61/81/55/1062618155.db2.gz KZCKPINBFNTGKW-JOCHJYFZSA-N 0 3 472.609 2.919 20 0 JFADHN CC(C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCCNC(=O)c1cccc(O)c1 ZINC001287200575 1062639245 /nfs/dbraw/zinc/63/92/45/1062639245.db2.gz GAXPVLODIOYFRO-QFIPXVFZSA-N 0 3 483.661 2.532 20 0 JFADHN CC(C)c1nnc(N2CCC(O)(c3ccccc3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001287203852 1062647930 /nfs/dbraw/zinc/64/79/30/1062647930.db2.gz ZXTAAAUUJQHESH-QFIPXVFZSA-N 0 3 468.646 2.832 20 0 JFADHN CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001287215393 1062685172 /nfs/dbraw/zinc/68/51/72/1062685172.db2.gz BHZXZTKUQXRFGE-LJQANCHMSA-N 0 3 463.671 2.873 20 0 JFADHN CCCOc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@H]3C)n2CCn2cncn2)cc1OC ZINC001294922620 1062689855 /nfs/dbraw/zinc/68/98/55/1062689855.db2.gz CVFASOBUKZZCTO-RTBURBONSA-N 0 3 468.606 2.953 20 0 JFADHN CC(C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001287222427 1062708054 /nfs/dbraw/zinc/70/80/54/1062708054.db2.gz FAMVAIVTZZMQLX-NRFANRHFSA-N 0 3 454.619 2.505 20 0 JFADHN CC(C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1cccnc1OCC(F)F ZINC001287223924 1062710729 /nfs/dbraw/zinc/71/07/29/1062710729.db2.gz PUMHOKSRMNLWNR-KRWDZBQOSA-N 0 3 450.534 2.647 20 0 JFADHN CC(C)c1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@@H](c1ccco1)N(C)C ZINC001287223643 1062710852 /nfs/dbraw/zinc/71/08/52/1062710852.db2.gz OTOGLHAFFPXQQG-YADHBBJMSA-N 0 3 473.666 2.529 20 0 JFADHN CCCOc1ccc(-c2nnc(N3CC[C@H](N4CCN(CC)CC4)C3)n2CC(C)(C)O)cc1OC ZINC001294934276 1062711579 /nfs/dbraw/zinc/71/15/79/1062711579.db2.gz STMFGWNKAAOZAN-NRFANRHFSA-N 0 3 486.661 2.730 20 0 JFADHN CC(C)c1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1CC1([S@](C)=O)CCC1 ZINC001287224602 1062712528 /nfs/dbraw/zinc/71/25/28/1062712528.db2.gz UPZIKZUNSIKSDX-XIFFEERXSA-N 0 3 472.703 2.957 20 0 JFADHN O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H]1CCCn2ncnc21 ZINC001290846217 1062732342 /nfs/dbraw/zinc/73/23/42/1062732342.db2.gz CFEQJUFHZWQCIS-IBGZPJMESA-N 0 3 450.509 2.893 20 0 JFADHN CC(C)[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2N(C)CCCC2(C)C)CCO1 ZINC001287273861 1062747451 /nfs/dbraw/zinc/74/74/51/1062747451.db2.gz GJJCBYAQJFUNKN-RBUKOAKNSA-N 0 3 455.607 2.907 20 0 JFADHN CC(C)[C@H]1CN(c2nnc(Cc3ccncc3)n2CCN2CCN(C)C(C)(C)C2)CCS1 ZINC001287292576 1062766302 /nfs/dbraw/zinc/76/63/02/1062766302.db2.gz PTMUJGPUWPJGHE-OAQYLSRUSA-N 0 3 457.692 2.868 20 0 JFADHN CC(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001287306036 1062777064 /nfs/dbraw/zinc/77/70/64/1062777064.db2.gz IPSFEHUBDRDBEE-SJBKTWHCSA-N 0 3 460.667 2.671 20 0 JFADHN CCCO[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CC1 ZINC001295002457 1062789464 /nfs/dbraw/zinc/78/94/64/1062789464.db2.gz OHMYMCKBJUMRAW-RTBURBONSA-N 0 3 455.669 2.554 20 0 JFADHN CC(C)C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O)N(C)C ZINC001287321457 1062798594 /nfs/dbraw/zinc/79/85/94/1062798594.db2.gz HMTHJPYJXPIIJD-XXJJDXCVSA-N 0 3 489.686 2.922 20 0 JFADHN CC(C)C[C@@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001287321693 1062799350 /nfs/dbraw/zinc/79/93/50/1062799350.db2.gz LGAVDKONZXTUFQ-PMACEKPBSA-N 0 3 485.658 2.935 20 0 JFADHN CCCS(=O)(=O)NC1CCN(c2nnc(C3CC3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001295014400 1062803394 /nfs/dbraw/zinc/80/33/94/1062803394.db2.gz CDTZGIILSXWMER-SFHVURJKSA-N 0 3 466.677 2.818 20 0 JFADHN CC(C)N1CCN(c2ccc(C(=O)Nc3ccncc3I)cc2)CC1 ZINC001295020090 1062820083 /nfs/dbraw/zinc/82/00/83/1062820083.db2.gz OIHUMNYFWVIKJI-UHFFFAOYSA-N 0 3 450.324 2.891 20 0 JFADHN CC(C)Cc1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001287363997 1062829566 /nfs/dbraw/zinc/82/95/66/1062829566.db2.gz PJDAWVDZDQTGJW-NRFANRHFSA-N 0 3 484.645 2.827 20 0 JFADHN Cc1noc(CCCn2c(CNC(=O)c3cccs3)nnc2N2CCN(C(C)(C)C)CC2)n1 ZINC001290958300 1062834743 /nfs/dbraw/zinc/83/47/43/1062834743.db2.gz NLOQXMONYQODPC-UHFFFAOYSA-N 0 3 472.619 2.514 20 0 JFADHN CCN(C)C(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001295068602 1062889422 /nfs/dbraw/zinc/88/94/22/1062889422.db2.gz ZMAMCTKLSHRCPH-LJQANCHMSA-N 0 3 474.053 2.682 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1CCN1CC=CCC1 ZINC001287462576 1062903355 /nfs/dbraw/zinc/90/33/55/1062903355.db2.gz PEWICQHBTMQIHX-UHFFFAOYSA-N 0 3 458.557 2.979 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCOc1ccc(F)c(F)c1 ZINC001287464312 1062907783 /nfs/dbraw/zinc/90/77/83/1062907783.db2.gz NBUKFPVTVXKVHH-UHFFFAOYSA-N 0 3 476.572 2.578 20 0 JFADHN C[C@@H]1C[C@H](C)CN(CCCn2c([C@H]3CCCOC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001291013141 1062919372 /nfs/dbraw/zinc/91/93/72/1062919372.db2.gz JPASYQQZQVQULV-LRSLUSHPSA-N 0 3 481.707 2.944 20 0 JFADHN C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1CCCN1C[C@H](C)C[C@H](C)C1 ZINC001291013613 1062921075 /nfs/dbraw/zinc/92/10/75/1062921075.db2.gz PJWDCULWRZTYTO-YRPNKDGESA-N 0 3 455.669 2.757 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001287476331 1062928745 /nfs/dbraw/zinc/92/87/45/1062928745.db2.gz ISRJRTDDAPPIHU-TZIWHRDSSA-N 0 3 486.636 2.649 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCCN1CCCCCC1=O ZINC001287476767 1062932159 /nfs/dbraw/zinc/93/21/59/1062932159.db2.gz PGIIQLFHOLYQIE-NRFANRHFSA-N 0 3 460.667 2.959 20 0 JFADHN CC(C)Cc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001287477040 1062932776 /nfs/dbraw/zinc/93/27/76/1062932776.db2.gz SVKWZJGRSKEYBD-OAQYLSRUSA-N 0 3 498.672 2.681 20 0 JFADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001291022731 1062942183 /nfs/dbraw/zinc/94/21/83/1062942183.db2.gz KXAOQIMLTGVQSM-YRPNKDGESA-N 0 3 482.695 2.547 20 0 JFADHN CCN(c1nnc(C(C)C)n1C[C@H]1CCN(CCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295140644 1062958840 /nfs/dbraw/zinc/95/88/40/1062958840.db2.gz CSBQDOCJQZXAJS-VXKWHMMOSA-N 0 3 459.660 2.980 20 0 JFADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1csc(I)c1 ZINC001295145926 1062966662 /nfs/dbraw/zinc/96/66/62/1062966662.db2.gz HRJSYPGARFRYCW-HZPDHXFCSA-N 0 3 456.349 2.966 20 0 JFADHN CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001295152829 1062973456 /nfs/dbraw/zinc/97/34/56/1062973456.db2.gz SPFBHDASSZMGBN-DPLHUUCSSA-N 0 3 497.706 2.597 20 0 JFADHN CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295157328 1062980836 /nfs/dbraw/zinc/98/08/36/1062980836.db2.gz ZNUCRPNYJAJMSO-PMACEKPBSA-N 0 3 463.648 2.943 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001291061291 1062997079 /nfs/dbraw/zinc/99/70/79/1062997079.db2.gz GECIOHHLXRKEST-RGELYXPASA-N 0 3 458.607 2.618 20 0 JFADHN C[C@@H]1CCC[C@](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CC(F)C2)(N(C)C)C1 ZINC001291069175 1063017895 /nfs/dbraw/zinc/01/78/95/1063017895.db2.gz XXBSBCNJHWYMDF-MLXWVVACSA-N 0 3 455.644 2.875 20 0 JFADHN CC(C)CCOCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001287646971 1063021952 /nfs/dbraw/zinc/02/19/52/1063021952.db2.gz JNTAPXMZCIULJJ-QFIPXVFZSA-N 0 3 469.634 2.536 20 0 JFADHN CC(C)CCOCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001287646970 1063022082 /nfs/dbraw/zinc/02/20/82/1063022082.db2.gz JNTAPXMZCIULJJ-JOCHJYFZSA-N 0 3 469.634 2.536 20 0 JFADHN CC(C)CN(c1nnc(C(=O)N2CCCC2)n1CCCN1CCC[C@H]1C(=O)N(C)C)C1CCCC1 ZINC001287692153 1063039438 /nfs/dbraw/zinc/03/94/38/1063039438.db2.gz PEBANTSWRDKOSI-QFIPXVFZSA-N 0 3 487.693 2.862 20 0 JFADHN CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295236196 1063057057 /nfs/dbraw/zinc/05/70/57/1063057057.db2.gz HKKZTLJNFNWPBF-HKUYNNGSSA-N 0 3 451.662 2.676 20 0 JFADHN CC(C)CN1CCC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001287739965 1063064146 /nfs/dbraw/zinc/06/41/46/1063064146.db2.gz BYQWMMOACFNWCA-DENIHFKCSA-N 0 3 493.649 2.988 20 0 JFADHN CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)c(F)c2F)CC1 ZINC001287742818 1063070369 /nfs/dbraw/zinc/07/03/69/1063070369.db2.gz YIIXEGFNNPPBHT-UHFFFAOYSA-N 0 3 464.536 2.952 20 0 JFADHN CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295256579 1063072531 /nfs/dbraw/zinc/07/25/31/1063072531.db2.gz NTNVDWVMTJWUFT-AZUAARDMSA-N 0 3 479.622 2.742 20 0 JFADHN CC(C)CN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCSCCCO)CC1 ZINC001287749249 1063073985 /nfs/dbraw/zinc/07/39/85/1063073985.db2.gz GFEBOMAZGIDZPQ-UHFFFAOYSA-N 0 3 485.496 2.940 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)cc2)CC1 ZINC001287749609 1063074081 /nfs/dbraw/zinc/07/40/81/1063074081.db2.gz ORZMDJDCFKGONL-QGZVFWFLSA-N 0 3 469.055 2.562 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001287749845 1063074756 /nfs/dbraw/zinc/07/47/56/1063074756.db2.gz QKJKRRDVPLUQBS-HDYDNRTBSA-N 0 3 484.711 2.650 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001287751656 1063079059 /nfs/dbraw/zinc/07/90/59/1063079059.db2.gz YCRPHENRZOLGSR-MHECFPHRSA-N 0 3 458.582 2.814 20 0 JFADHN CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295264973 1063080971 /nfs/dbraw/zinc/08/09/71/1063080971.db2.gz ZWEMKXXJEIGICW-DOIPELPJSA-N 0 3 481.707 2.942 20 0 JFADHN CC(C)CN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCCO2)CC1 ZINC001287768882 1063095083 /nfs/dbraw/zinc/09/50/83/1063095083.db2.gz LKUMTHSRCCBSFR-LEWJYISDSA-N 0 3 492.665 2.934 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCO[C@H](CCc3ccccc3)C2)n1CCN1CCC[C@@H](C)C1 ZINC001291126420 1063154678 /nfs/dbraw/zinc/15/46/78/1063154678.db2.gz MEBVPPOJVXTSKF-FYYLOGMGSA-N 0 3 468.646 2.986 20 0 JFADHN CCN(CC)C(=O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)cc1 ZINC001295303094 1063163033 /nfs/dbraw/zinc/16/30/33/1063163033.db2.gz QNXZEDIYVJWZBH-RTWAWAEBSA-N 0 3 495.672 2.963 20 0 JFADHN CCN(CC)C(=O)CCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001295308209 1063178519 /nfs/dbraw/zinc/17/85/19/1063178519.db2.gz WAVRRUCQKLUMCV-UHFFFAOYSA-N 0 3 475.682 2.766 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCO[C@@H](COc3ccccc3)C2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001291140958 1063212416 /nfs/dbraw/zinc/21/24/16/1063212416.db2.gz HANNVJOSHSELOE-FYYLOGMGSA-N 0 3 484.645 2.821 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001291142115 1063218542 /nfs/dbraw/zinc/21/85/42/1063218542.db2.gz YGWMMFYXCRBEHY-MRXNPFEDSA-N 0 3 482.555 2.772 20 0 JFADHN CCN(CC)C(=O)CN1CCCN(c2nnc(C(C)C)n2C[C@@H](c2ccco2)N(C)C)CC1 ZINC001295328969 1063227962 /nfs/dbraw/zinc/22/79/62/1063227962.db2.gz NQPJLZHRNAIVAG-FQEVSTJZSA-N 0 3 459.639 2.678 20 0 JFADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)CC1 ZINC001295342637 1063270245 /nfs/dbraw/zinc/27/02/45/1063270245.db2.gz QESCPXZAACDSBS-MBSDFSHPSA-N 0 3 452.603 2.754 20 0 JFADHN CC1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001291180393 1063272610 /nfs/dbraw/zinc/27/26/10/1063272610.db2.gz ASANVKKTVRLENW-OALUTQOASA-N 0 3 455.694 2.634 20 0 JFADHN CC1CCN(CCCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001291182522 1063277910 /nfs/dbraw/zinc/27/79/10/1063277910.db2.gz PTLLYUWKLSJXQW-UXHICEINSA-N 0 3 453.653 2.655 20 0 JFADHN CC(C)NC(=O)c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CCN1CCC(C)CC1 ZINC001291183558 1063280549 /nfs/dbraw/zinc/28/05/49/1063280549.db2.gz WZFQBGYLCXPUSI-UHFFFAOYSA-N 0 3 477.654 2.642 20 0 JFADHN C[C@@H]1CN(C(C)(C)Cn2c(CC3CC3)nnc2N(C)CC(C)(C)CN2CCOCC2)C[C@H](C)O1 ZINC001291188103 1063300876 /nfs/dbraw/zinc/30/08/76/1063300876.db2.gz FNIJQIATYOFRKH-OYRHEFFESA-N 0 3 476.710 2.913 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001295366889 1063330811 /nfs/dbraw/zinc/33/08/11/1063330811.db2.gz VNFYICODKAKVEH-MJGOQNOKSA-N 0 3 456.616 2.847 20 0 JFADHN C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@@](=O)C(C)(C)C)CCN(C2CCC2)C1 ZINC001291198060 1063347178 /nfs/dbraw/zinc/34/71/78/1063347178.db2.gz OZTCCGVYZCAVMF-STQSFFJQSA-N 0 3 487.674 2.783 20 0 JFADHN C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@@](=O)C(C)(C)C)CCN(C2CCC2)C1 ZINC001291198061 1063347234 /nfs/dbraw/zinc/34/72/34/1063347234.db2.gz OZTCCGVYZCAVMF-USXNREEHSA-N 0 3 487.674 2.783 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001295378709 1063349062 /nfs/dbraw/zinc/34/90/62/1063349062.db2.gz JAKAUCVAZKFIEE-YFVAEKQCSA-N 0 3 479.622 2.628 20 0 JFADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)C2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001291205979 1063366418 /nfs/dbraw/zinc/36/64/18/1063366418.db2.gz QQBDCRRVVUPLHE-IXDOHACOSA-N 0 3 484.717 2.729 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1)c1ccsc1 ZINC001295390773 1063370664 /nfs/dbraw/zinc/37/06/64/1063370664.db2.gz AKPQZMUKOTXYGQ-FUHWJXTLSA-N 0 3 484.692 2.648 20 0 JFADHN CCN(CC)[C@H](Cn1c(C(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccco1 ZINC001295394090 1063380140 /nfs/dbraw/zinc/38/01/40/1063380140.db2.gz XLQRZIQYMLWCKJ-GOSISDBHSA-N 0 3 452.625 2.596 20 0 JFADHN CCN(CC)[C@@H](Cn1c(C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001295397419 1063384121 /nfs/dbraw/zinc/38/41/21/1063384121.db2.gz MYRNQNMIAINJNW-MOPGFXCFSA-N 0 3 462.595 2.993 20 0 JFADHN CCN(CC)[C@H](Cn1c(C2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccsc1 ZINC001295403587 1063388171 /nfs/dbraw/zinc/38/81/71/1063388171.db2.gz XEOSAHOVGPFXGE-LJQANCHMSA-N 0 3 466.677 2.772 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1C)c1ccco1 ZINC001295407342 1063398577 /nfs/dbraw/zinc/39/85/77/1063398577.db2.gz SZZOCBKSXWOIKC-HUUJSLGLSA-N 0 3 494.662 2.522 20 0 JFADHN CCN(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCNC(=O)CC1)c1ccsc1 ZINC001295407682 1063400016 /nfs/dbraw/zinc/40/00/16/1063400016.db2.gz XMNJUSKMVHOUAP-HXUWFJFHSA-N 0 3 453.616 2.735 20 0 JFADHN CCN(CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccco1 ZINC001295408106 1063401187 /nfs/dbraw/zinc/40/11/87/1063401187.db2.gz YXZJUMGFVRVXQX-IRLDBZIGSA-N 0 3 484.576 2.635 20 0 JFADHN CCN(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001295408133 1063401927 /nfs/dbraw/zinc/40/19/27/1063401927.db2.gz ZDZXXWNYFCAPRG-VQTJNVASSA-N 0 3 458.607 2.763 20 0 JFADHN CC(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C)C1)N1CCCC1 ZINC001291214369 1063413397 /nfs/dbraw/zinc/41/33/97/1063413397.db2.gz VFPJYINZZJTXAY-GHTZIAJQSA-N 0 3 461.632 2.694 20 0 JFADHN CCN(CC)c1ccc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC001295418154 1063423720 /nfs/dbraw/zinc/42/37/20/1063423720.db2.gz AQAOVEFZBAEQOK-UHFFFAOYSA-N 0 3 482.677 2.511 20 0 JFADHN CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001295461452 1063461665 /nfs/dbraw/zinc/46/16/65/1063461665.db2.gz YGKSOUVUQWECKO-KDURUIRLSA-N 0 3 463.671 2.921 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCC(F)(F)C2)CC1 ZINC001295479632 1063488217 /nfs/dbraw/zinc/48/82/17/1063488217.db2.gz HHQIPMPCAPRWTM-IBGZPJMESA-N 0 3 497.635 2.622 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCOc2cccc(F)c2)CC1 ZINC001295480058 1063489622 /nfs/dbraw/zinc/48/96/22/1063489622.db2.gz LFMKXXDYCXHHSO-UHFFFAOYSA-N 0 3 460.598 2.784 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCc2ccccc2OC)CC1 ZINC001295481308 1063492769 /nfs/dbraw/zinc/49/27/69/1063492769.db2.gz UUNHVGVCKOOBJS-UHFFFAOYSA-N 0 3 456.635 2.817 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccncc2Cl)CC1 ZINC001295481807 1063493575 /nfs/dbraw/zinc/49/35/75/1063493575.db2.gz AJUSOQSNFIRKGD-UHFFFAOYSA-N 0 3 471.993 2.934 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 ZINC001295481747 1063493650 /nfs/dbraw/zinc/49/36/50/1063493650.db2.gz XEPXMQLIFDLIHZ-XMMPIXPASA-N 0 3 477.053 2.953 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(O)cc2)CC1 ZINC001295481995 1063495605 /nfs/dbraw/zinc/49/56/05/1063495605.db2.gz DCULJIBEDVOFNV-UHFFFAOYSA-N 0 3 452.559 2.591 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@](C)(O)CC)CC1 ZINC001295482187 1063496754 /nfs/dbraw/zinc/49/67/54/1063496754.db2.gz FUZAJOMVLRYSIK-AREMUKBSSA-N 0 3 479.629 2.645 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCCc2ccccc2)CC1 ZINC001295482241 1063497982 /nfs/dbraw/zinc/49/79/82/1063497982.db2.gz GQHCNHSNMKOUDB-UHFFFAOYSA-N 0 3 461.614 2.963 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(F)c(F)c2)CC1 ZINC001295482335 1063499748 /nfs/dbraw/zinc/49/97/48/1063499748.db2.gz KMEGQKLJALIWOK-UHFFFAOYSA-N 0 3 469.540 2.657 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC001295482406 1063501185 /nfs/dbraw/zinc/50/11/85/1063501185.db2.gz NBJFCOGRFZNINU-URXFXBBRSA-N 0 3 483.661 2.782 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCOC2)CC1 ZINC001295482532 1063502209 /nfs/dbraw/zinc/50/22/09/1063502209.db2.gz RYBLZJOWPPNZCM-OAQYLSRUSA-N 0 3 454.619 2.671 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001295482558 1063502392 /nfs/dbraw/zinc/50/23/92/1063502392.db2.gz SXZPWKCSEYPCMO-QFIPXVFZSA-N 0 3 484.645 2.759 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2csc(C)c2)CC1 ZINC001295483015 1063506217 /nfs/dbraw/zinc/50/62/17/1063506217.db2.gz ARGJICPSKBPBRC-FQEVSTJZSA-N 0 3 460.648 2.928 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001295483050 1063506245 /nfs/dbraw/zinc/50/62/45/1063506245.db2.gz AXDNZLREUOACGA-RTBURBONSA-N 0 3 468.593 2.598 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2cccnc2)C(C)C)CC1 ZINC001295483565 1063507869 /nfs/dbraw/zinc/50/78/69/1063507869.db2.gz GWLVOKFIWKGPMQ-PKTZIBPZSA-N 0 3 483.661 2.607 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@](C)(O)c2ccccc2)CC1 ZINC001295483576 1063508419 /nfs/dbraw/zinc/50/84/19/1063508419.db2.gz HJECACIACFLCSZ-HOFKKMOUSA-N 0 3 498.672 2.808 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2CC(=O)N(C)Cc2ccccc2)CC1 ZINC001295483787 1063508497 /nfs/dbraw/zinc/50/84/97/1063508497.db2.gz HVGVQCDMSCWGGR-UHFFFAOYSA-N 0 3 495.672 2.585 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)c2c(C)noc2C)CC1 ZINC001295484393 1063510778 /nfs/dbraw/zinc/51/07/78/1063510778.db2.gz NCFIAOWIADGTMR-GHTZIAJQSA-N 0 3 487.649 2.919 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001295484506 1063511317 /nfs/dbraw/zinc/51/13/17/1063511317.db2.gz OPQXASUFUFARQC-FUDKSRODSA-N 0 3 476.666 2.571 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2Cc2cccc(OC)c2)CC1 ZINC001295484501 1063511381 /nfs/dbraw/zinc/51/13/81/1063511381.db2.gz OOAPUUHBWHFQJI-UHFFFAOYSA-N 0 3 454.619 2.983 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 ZINC001295484747 1063513180 /nfs/dbraw/zinc/51/31/80/1063513180.db2.gz RAAQKNUQWRLTFX-DVECYGJZSA-N 0 3 457.623 2.611 20 0 JFADHN C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)N(C)C)CCN1CC(F)(F)F ZINC001291241792 1063513765 /nfs/dbraw/zinc/51/37/65/1063513765.db2.gz SPDDECAXAMUECV-QRQLOZEOSA-N 0 3 479.551 2.605 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2sccc2C)CC1 ZINC001295485440 1063514524 /nfs/dbraw/zinc/51/45/24/1063514524.db2.gz WSPGBANWNIPEQR-LJQANCHMSA-N 0 3 460.648 2.581 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2Cl)CC1 ZINC001295490622 1063517166 /nfs/dbraw/zinc/51/71/66/1063517166.db2.gz BJGQMANPUUTKGZ-UHFFFAOYSA-N 0 3 482.032 2.956 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)OC)CC1 ZINC001295490659 1063517829 /nfs/dbraw/zinc/51/78/29/1063517829.db2.gz CWZONRNWXCZNER-UHFFFAOYSA-N 0 3 456.635 2.593 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)SC)CC1 ZINC001295490664 1063517937 /nfs/dbraw/zinc/51/79/37/1063517937.db2.gz CYOIZJVSOSCDIG-SFHVURJKSA-N 0 3 462.639 2.750 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CCc3ccccc3)n2Cc2cnc(C)s2)CC1 ZINC001295490889 1063518552 /nfs/dbraw/zinc/51/85/52/1063518552.db2.gz IJFCXARMSDNSBT-UHFFFAOYSA-N 0 3 481.670 2.867 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2=CCCCC2)CC1 ZINC001295490902 1063519282 /nfs/dbraw/zinc/51/92/82/1063519282.db2.gz IOZUKYUBUHBDPN-UHFFFAOYSA-N 0 3 499.685 2.760 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(F)cn2)CC1 ZINC001295490942 1063520058 /nfs/dbraw/zinc/52/00/58/1063520058.db2.gz KCXBVXIAXVZKGY-UHFFFAOYSA-N 0 3 495.603 2.738 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2Cc2csc(C)c2)CC1 ZINC001295491565 1063522937 /nfs/dbraw/zinc/52/29/37/1063522937.db2.gz URNSZAZIHYYJPW-UHFFFAOYSA-N 0 3 467.643 2.673 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001295491578 1063523088 /nfs/dbraw/zinc/52/30/88/1063523088.db2.gz VEWOWFIVAUGPEX-DHIUTWEWSA-N 0 3 498.672 2.971 20 0 JFADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCCc2cccc(F)c2)CC1 ZINC001295494987 1063530550 /nfs/dbraw/zinc/53/05/50/1063530550.db2.gz WUUUAHKQLHLLSY-JOCHJYFZSA-N 0 3 472.609 2.892 20 0 JFADHN C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001291275766 1063584400 /nfs/dbraw/zinc/58/44/00/1063584400.db2.gz YVOGMUOZLLWWMZ-GMAHTHKFSA-N 0 3 468.646 2.621 20 0 JFADHN CCN(CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001295553099 1063585964 /nfs/dbraw/zinc/58/59/64/1063585964.db2.gz FJHPMLZHJFIPTD-WBVHZDCISA-N 0 3 470.039 2.961 20 0 JFADHN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN(C)Cc2ccccc2)C[C@H](C(F)(F)F)O1 ZINC001291276866 1063588205 /nfs/dbraw/zinc/58/82/05/1063588205.db2.gz TWQBXCMQHKOWDV-IEBWSBKVSA-N 0 3 480.535 2.689 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001295564249 1063597324 /nfs/dbraw/zinc/59/73/24/1063597324.db2.gz SIVOQGMTNYGUEY-MMOPVJDHSA-N 0 3 497.612 2.767 20 0 JFADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1F ZINC001295566518 1063601118 /nfs/dbraw/zinc/60/11/18/1063601118.db2.gz UXCATLOXUHLBOI-IEBWSBKVSA-N 0 3 451.612 2.729 20 0 JFADHN C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN2CCN(C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001291286680 1063633771 /nfs/dbraw/zinc/63/37/71/1063633771.db2.gz NILOQZWZOLUJNA-VQTJNVASSA-N 0 3 491.681 2.601 20 0 JFADHN CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001295595932 1063640771 /nfs/dbraw/zinc/64/07/71/1063640771.db2.gz VZQWKQRONJCHQD-UNMCSNQZSA-N 0 3 472.609 2.890 20 0 JFADHN C[C@@H]1CN(CCCn2c(-c3ccccc3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291290407 1063664041 /nfs/dbraw/zinc/66/40/41/1063664041.db2.gz ZSNFSDAIXBLJQB-MESAYYPLSA-N 0 3 470.662 2.990 20 0 JFADHN CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001295696240 1063724058 /nfs/dbraw/zinc/72/40/58/1063724058.db2.gz PHKXDVCIRRZISW-UHFFFAOYSA-N 0 3 457.021 2.840 20 0 JFADHN C[C@H]1N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCC2)CCOC1(C)C ZINC001291316234 1063750461 /nfs/dbraw/zinc/75/04/61/1063750461.db2.gz PKDSYCWJESTYOB-QGZVFWFLSA-N 0 3 461.632 2.837 20 0 JFADHN C[C@@H]1N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C2CCCCC2)N(C)C)CCOC1(C)C ZINC001291318161 1063754430 /nfs/dbraw/zinc/75/44/30/1063754430.db2.gz DFEQXKIZTNHNNW-DFQSSKMNSA-N 0 3 467.680 2.694 20 0 JFADHN CCCN(CCNC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C)C(=O)OC(C)(C)C ZINC001295821238 1063827368 /nfs/dbraw/zinc/82/73/68/1063827368.db2.gz VZVNQEPQTGQKJS-UHFFFAOYSA-N 0 3 456.591 2.941 20 0 JFADHN CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001295829734 1063842152 /nfs/dbraw/zinc/84/21/52/1063842152.db2.gz JTVPUOJKZWDAMK-QGZVFWFLSA-N 0 3 455.028 2.737 20 0 JFADHN CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N(C)[C@H](C)C1)CCC(F)(F)F ZINC001295829632 1063842297 /nfs/dbraw/zinc/84/22/97/1063842297.db2.gz JALLTETYYSVROT-CQSZACIVSA-N 0 3 473.931 2.935 20 0 JFADHN CCN(CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)NC)CC1)CCC(F)(F)F ZINC001295830650 1063844899 /nfs/dbraw/zinc/84/48/99/1063844899.db2.gz XLSNCKAKHMUJJI-UHFFFAOYSA-N 0 3 457.501 2.582 20 0 JFADHN CCN(CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001295831550 1063847096 /nfs/dbraw/zinc/84/70/96/1063847096.db2.gz ZUXWNMJZFXREEQ-LJQANCHMSA-N 0 3 479.647 2.706 20 0 JFADHN CCN(CCn1c(-c2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1)CCC(F)(F)F ZINC001295834081 1063849998 /nfs/dbraw/zinc/84/99/98/1063849998.db2.gz PGMXSAFWHDDFOA-UHFFFAOYSA-N 0 3 488.580 2.691 20 0 JFADHN CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001291353920 1063859356 /nfs/dbraw/zinc/85/93/56/1063859356.db2.gz CBUXXIWEOPNRRR-LJQANCHMSA-N 0 3 484.711 2.605 20 0 JFADHN CS[C@@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2F)c3=O)C[C@@H]1N(C)C ZINC001295853531 1063880759 /nfs/dbraw/zinc/88/07/59/1063880759.db2.gz YUEJQBQTHSGVHX-RBUKOAKNSA-N 0 3 458.584 2.931 20 0 JFADHN CCN(CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001295859776 1063890778 /nfs/dbraw/zinc/89/07/78/1063890778.db2.gz WVGCFVRGDGMTAY-LJQANCHMSA-N 0 3 451.612 2.752 20 0 JFADHN CCN(CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC001295869295 1063907009 /nfs/dbraw/zinc/90/70/09/1063907009.db2.gz LYLPHHAWJVQLPX-IPMKNSEASA-N 0 3 455.669 2.550 20 0 JFADHN CC[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001291379173 1063913655 /nfs/dbraw/zinc/91/36/55/1063913655.db2.gz VCRZKUBNVIGTBE-PXDATVDWSA-N 0 3 474.625 2.762 20 0 JFADHN CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN(CC(C)C)C1 ZINC001295880416 1063924841 /nfs/dbraw/zinc/92/48/41/1063924841.db2.gz BOLHYNIOYXSXCU-PMACEKPBSA-N 0 3 455.669 2.759 20 0 JFADHN CC[C@@H](C)[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001291396760 1063952283 /nfs/dbraw/zinc/95/22/83/1063952283.db2.gz BWPUHBNHTBTDND-DVECYGJZSA-N 0 3 450.672 2.654 20 0 JFADHN CC[C@@H](C)[C@@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001291400061 1063959911 /nfs/dbraw/zinc/95/99/11/1063959911.db2.gz SRXNHUYDHDZRBJ-IBVKSMDESA-N 0 3 486.636 2.550 20 0 JFADHN CCn1cc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@H](C)C[C@H](C)C2)cn1 ZINC001295915305 1063967671 /nfs/dbraw/zinc/96/76/71/1063967671.db2.gz MTKNBSDCNTYMAX-ZVDOUQERSA-N 0 3 491.706 2.790 20 0 JFADHN CCn1cc(CN(C)c2nnc(CCc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)cn1 ZINC001295918820 1063972915 /nfs/dbraw/zinc/97/29/15/1063972915.db2.gz VRGNMILAJJRWAL-UHFFFAOYSA-N 0 3 464.662 2.942 20 0 JFADHN CC[C@H](C)[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001291414596 1063991275 /nfs/dbraw/zinc/99/12/75/1063991275.db2.gz ZTUCGUFRAPHLLS-TZYAJKAJSA-N 0 3 485.677 2.724 20 0 JFADHN Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)nnn1-c1cccc2c1CCN(C)C2 ZINC001295954869 1064006528 /nfs/dbraw/zinc/00/65/28/1064006528.db2.gz LEUZXPZKJRMGJF-INIZCTEOSA-N 0 3 454.575 2.645 20 0 JFADHN CC[C@H](C)c1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CCCN1CCN(CC)CC1 ZINC001291435255 1064015977 /nfs/dbraw/zinc/01/59/77/1064015977.db2.gz ZXVKRTZHCXXQLO-FCHUYYIVSA-N 0 3 469.682 2.714 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001295975452 1064019300 /nfs/dbraw/zinc/01/93/00/1064019300.db2.gz CAVPGPCRXUKQQO-DLBZAZTESA-N 0 3 495.550 2.817 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001295975456 1064019362 /nfs/dbraw/zinc/01/93/62/1064019362.db2.gz CAVPGPCRXUKQQO-IRXDYDNUSA-N 0 3 495.550 2.817 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@](C)(O)CCOC)C[C@@H]1C ZINC001295975866 1064020760 /nfs/dbraw/zinc/02/07/60/1064020760.db2.gz FSFZAPKZMXKWBY-LLJLJFOGSA-N 0 3 493.052 2.568 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(Br)c3)n2Cc2nncn2C)C[C@@H]1C ZINC001295976073 1064021566 /nfs/dbraw/zinc/02/15/66/1064021566.db2.gz CFQPPBFATWELGK-LSDHHAIUSA-N 0 3 459.396 2.803 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2cccc(F)c2)N(C)C)C[C@@H]1C ZINC001295976264 1064022043 /nfs/dbraw/zinc/02/20/43/1064022043.db2.gz HFBQOMJOAKEVTP-CNNODRBYSA-N 0 3 471.625 2.875 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2cccc(F)c2)N(C)C)C[C@@H]1C ZINC001295976266 1064022147 /nfs/dbraw/zinc/02/21/47/1064022147.db2.gz HFBQOMJOAKEVTP-IPJJNNNSSA-N 0 3 471.625 2.875 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001295976839 1064022928 /nfs/dbraw/zinc/02/29/28/1064022928.db2.gz LOXPUHPNZJBXME-KGLIPLIRSA-N 0 3 472.487 2.847 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](F)COC)C[C@@H]1C ZINC001295977319 1064023306 /nfs/dbraw/zinc/02/33/06/1064023306.db2.gz KERHOWAPXOVGOA-BXWFABGCSA-N 0 3 466.989 2.765 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CSCCS2)C[C@@H]1C ZINC001295977890 1064024398 /nfs/dbraw/zinc/02/43/98/1064024398.db2.gz LYIMZWPFTCGQLR-YESZJQIVSA-N 0 3 461.661 2.693 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCNS(C)(=O)=O)C[C@H]1C ZINC001295978027 1064025507 /nfs/dbraw/zinc/02/55/07/1064025507.db2.gz JMCMGLMSAQACCB-SVFBPWRDSA-N 0 3 492.690 2.893 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2CC2)C[C@@H]1C ZINC001295978831 1064027019 /nfs/dbraw/zinc/02/70/19/1064027019.db2.gz TVPRRBAXDFDIOY-ZWKOTPCHSA-N 0 3 460.648 2.914 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCOCCS(C)(=O)=O)C[C@@H]1C ZINC001295979132 1064027583 /nfs/dbraw/zinc/02/75/83/1064027583.db2.gz UWTSWQJDAISSLK-IRXDYDNUSA-N 0 3 470.039 2.579 20 0 JFADHN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1cnccc1OC ZINC001291470126 1064030183 /nfs/dbraw/zinc/03/01/83/1064030183.db2.gz LTLORUPFHLBZCT-NNMXDRDESA-N 0 3 469.634 2.622 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001295980682 1064031118 /nfs/dbraw/zinc/03/11/18/1064031118.db2.gz RAEWKSUZZYNQTC-RBUKOAKNSA-N 0 3 477.654 2.690 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)c2ccc(C)s2)C[C@H]1C ZINC001295982138 1064033768 /nfs/dbraw/zinc/03/37/68/1064033768.db2.gz WKBPQGSGTJRQHI-CVEARBPZSA-N 0 3 468.693 2.843 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(-c3ccccc3)no2)C[C@H]1C ZINC001295982540 1064035807 /nfs/dbraw/zinc/03/58/07/1064035807.db2.gz URHFAKFQXFHAJW-FGTMMUONSA-N 0 3 487.630 2.511 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cccc(C(=O)NC)c2)C[C@@H]1C ZINC001295983446 1064037920 /nfs/dbraw/zinc/03/79/20/1064037920.db2.gz WEZKMFRZUCDIRN-IZVMNLJQSA-N 0 3 498.672 2.840 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001295983173 1064038401 /nfs/dbraw/zinc/03/84/01/1064038401.db2.gz YOMJFHCIJOADGG-ZLNRFVROSA-N 0 3 496.704 2.546 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)C[C@H]1C ZINC001295984100 1064041148 /nfs/dbraw/zinc/04/11/48/1064041148.db2.gz LCOFTOFIMHDHFX-SJORKVTESA-N 0 3 458.998 2.692 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCOCC2(C)C)C[C@H]1C ZINC001295984126 1064041400 /nfs/dbraw/zinc/04/14/00/1064041400.db2.gz LOBBPFLGIMXOSR-UXHICEINSA-N 0 3 486.661 2.992 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2SC)C[C@@H]1C ZINC001295984243 1064041949 /nfs/dbraw/zinc/04/19/49/1064041949.db2.gz YITHLWMBGBKEHH-OKZBNKHCSA-N 0 3 480.704 2.886 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCOC(C)(C)C)C[C@@H]1C ZINC001295991804 1064046792 /nfs/dbraw/zinc/04/67/92/1064046792.db2.gz BOPKQXZKUCDDQL-ROUUACIJSA-N 0 3 467.618 2.926 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001295993218 1064048329 /nfs/dbraw/zinc/04/83/29/1064048329.db2.gz GYLMURCTDTVQHS-WSTZPKSXSA-N 0 3 472.638 2.997 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)C(C)C)C[C@H]1C ZINC001295993489 1064048938 /nfs/dbraw/zinc/04/89/38/1064048938.db2.gz HVJCVUMMHRLLTK-WOJBJXKFSA-N 0 3 464.618 2.822 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccccc2OCCOC)C[C@@H]1C ZINC001295994071 1064049831 /nfs/dbraw/zinc/04/98/31/1064049831.db2.gz IULLLQRCFDVLGN-OALUTQOASA-N 0 3 451.575 2.728 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)COc2ccccc2OC)C[C@@H]1C ZINC001295997824 1064054234 /nfs/dbraw/zinc/05/42/34/1064054234.db2.gz SJBGHBZIFWDMKT-MUGJNUQGSA-N 0 3 470.618 2.872 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)C[C@H]1C ZINC001295998335 1064055668 /nfs/dbraw/zinc/05/56/68/1064055668.db2.gz VIFUPQCFDDSIHY-DYXWJJEUSA-N 0 3 472.609 2.589 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001291504198 1064055938 /nfs/dbraw/zinc/05/59/38/1064055938.db2.gz LZLQOKCFMISCBU-WMZOPIPTSA-N 0 3 468.693 2.922 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC(F)F)C[C@@H]1C ZINC001295998991 1064056136 /nfs/dbraw/zinc/05/61/36/1064056136.db2.gz YHSDKEMYQPLPBA-ROUUACIJSA-N 0 3 478.592 2.653 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC001296002074 1064057628 /nfs/dbraw/zinc/05/76/28/1064057628.db2.gz KKXLXDSGDFOQBM-IAGOWNOFSA-N 0 3 468.005 2.983 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCc2ccco2)C[C@@H]1C ZINC001296003209 1064058414 /nfs/dbraw/zinc/05/84/14/1064058414.db2.gz SBEYPDWICQOKDO-ZWKOTPCHSA-N 0 3 454.550 2.836 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001296009600 1064065259 /nfs/dbraw/zinc/06/52/59/1064065259.db2.gz HDSIVMFPBWTKHX-PMACEKPBSA-N 0 3 475.659 2.909 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2nnn(C)n2)C[C@@H]1C ZINC001296009662 1064065758 /nfs/dbraw/zinc/06/57/58/1064065758.db2.gz ICJXELNFSJVYDW-RBUKOAKNSA-N 0 3 467.622 2.780 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CC2(C(N)=O)CCOCC2)C[C@H]1C ZINC001296009625 1064065810 /nfs/dbraw/zinc/06/58/10/1064065810.db2.gz HTZORYGPYDWSKW-NHCUHLMSSA-N 0 3 484.645 2.675 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@@H](C)N2CCOCC2)C[C@@H]1C ZINC001296010708 1064069231 /nfs/dbraw/zinc/06/92/31/1064069231.db2.gz CTHCQUOVWYGQQT-HBMCJLEFSA-N 0 3 472.634 2.505 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@H]1C ZINC001296010877 1064070011 /nfs/dbraw/zinc/07/00/11/1064070011.db2.gz MZXMNDBUIYLGBC-UXHICEINSA-N 0 3 496.660 2.898 20 0 JFADHN CC[C@H](C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CCN1CC=CCC1 ZINC001291517698 1064070364 /nfs/dbraw/zinc/07/03/64/1064070364.db2.gz ZPGOQZLEKWGZBW-SFHVURJKSA-N 0 3 453.591 2.595 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCC(=O)N(C)C)c2)C[C@@H]1C ZINC001296012321 1064072661 /nfs/dbraw/zinc/07/26/61/1064072661.db2.gz JTXVYQPSYNTKPF-CNNODRBYSA-N 0 3 470.618 2.564 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OCCOC)C[C@H]1C ZINC001296013593 1064074551 /nfs/dbraw/zinc/07/45/51/1064074551.db2.gz WNFFRVOAFFQEFQ-NHCUHLMSSA-N 0 3 482.633 2.527 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291524095 1064074626 /nfs/dbraw/zinc/07/46/26/1064074626.db2.gz GBYKPACWKSLYOR-DENIHFKCSA-N 0 3 482.677 2.758 20 0 JFADHN CC[C@H](C)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291524098 1064074742 /nfs/dbraw/zinc/07/47/42/1064074742.db2.gz GBYKPACWKSLYOR-UGKGYDQZSA-N 0 3 482.677 2.758 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NCc2ccccc2)C[C@H]1C ZINC001296015214 1064076796 /nfs/dbraw/zinc/07/67/96/1064076796.db2.gz ZVBQFGKTCVSMJK-FGZHOGPDSA-N 0 3 478.645 2.765 20 0 JFADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001296015221 1064077075 /nfs/dbraw/zinc/07/70/75/1064077075.db2.gz ZWFOXICTJOVXIO-DYXWJJEUSA-N 0 3 454.619 2.999 20 0 JFADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCOCC2)C[C@H]1C ZINC001296015256 1064077187 /nfs/dbraw/zinc/07/71/87/1064077187.db2.gz RKFIVACYSARHNS-AABGKKOBSA-N 0 3 492.665 2.811 20 0 JFADHN CCN1C[C@@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCOCC2)C[C@H]1C ZINC001296015257 1064077233 /nfs/dbraw/zinc/07/72/33/1064077233.db2.gz RKFIVACYSARHNS-AQNXPRMDSA-N 0 3 492.665 2.811 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1ccc(OC)cc1F ZINC001291581841 1064112837 /nfs/dbraw/zinc/11/28/37/1064112837.db2.gz GNTFMWALDZRIOB-SFHVURJKSA-N 0 3 460.598 2.978 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1ccc(N(C)C)cc1 ZINC001291582251 1064113640 /nfs/dbraw/zinc/11/36/40/1064113640.db2.gz GZXBIGCGPYBWQK-NRFANRHFSA-N 0 3 467.662 2.845 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1cc(C)cc(OC)c1 ZINC001291582826 1064114841 /nfs/dbraw/zinc/11/48/41/1064114841.db2.gz MOUDJYQMLMIQJN-HXUWFJFHSA-N 0 3 454.619 2.901 20 0 JFADHN CCN1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001296057406 1064119601 /nfs/dbraw/zinc/11/96/01/1064119601.db2.gz XULMUBIVJAGHQJ-FQEVSTJZSA-N 0 3 489.665 2.834 20 0 JFADHN CCN1CCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001296057407 1064119626 /nfs/dbraw/zinc/11/96/26/1064119626.db2.gz XULMUBIVJAGHQJ-HXUWFJFHSA-N 0 3 489.665 2.834 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001291594655 1064130797 /nfs/dbraw/zinc/13/07/97/1064130797.db2.gz IPSXJRRVDSQKDC-IPMKNSEASA-N 0 3 459.605 2.890 20 0 JFADHN COc1cc(C(=O)NC[C@@]2(O)CCN(C)C2)ccc1OCc1ccc(Br)s1 ZINC001296072761 1064137071 /nfs/dbraw/zinc/13/70/71/1064137071.db2.gz LBYFMFSNFOYKGS-IBGZPJMESA-N 0 3 455.374 2.895 20 0 JFADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC001296074620 1064140943 /nfs/dbraw/zinc/14/09/43/1064140943.db2.gz LSQPWSFUWTXTGX-RBBKRZOGSA-N 0 3 483.661 2.947 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2OC)CC1 ZINC001296075213 1064142754 /nfs/dbraw/zinc/14/27/54/1064142754.db2.gz NLZXXVZBSMLAAT-FQEVSTJZSA-N 0 3 469.634 2.626 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001296075709 1064143366 /nfs/dbraw/zinc/14/33/66/1064143366.db2.gz QLEVWUYIKMYERI-PMACEKPBSA-N 0 3 473.666 2.520 20 0 JFADHN CCN1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](OC)C1 ZINC001296079167 1064146122 /nfs/dbraw/zinc/14/61/22/1064146122.db2.gz CMCZYRXCRKAXLA-VQTJNVASSA-N 0 3 461.010 2.961 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCc1cccc(C(N)=O)c1 ZINC001291621870 1064162311 /nfs/dbraw/zinc/16/23/11/1064162311.db2.gz PZDKPSHMYYMIIN-RTBURBONSA-N 0 3 454.619 2.823 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCCNC(=O)c1cccc(O)c1 ZINC001291622141 1064162353 /nfs/dbraw/zinc/16/23/53/1064162353.db2.gz UOEOJFCMDVTLEH-IBGZPJMESA-N 0 3 470.618 2.618 20 0 JFADHN CC[C@H](C)c1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1C[C@@H](C)CN1CCOCC1 ZINC001291632450 1064180643 /nfs/dbraw/zinc/18/06/43/1064180643.db2.gz SYCNOEGJFXAXBK-WPFOTENUSA-N 0 3 470.662 2.616 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC001296120248 1064209059 /nfs/dbraw/zinc/20/90/59/1064209059.db2.gz GUPZWNSZTZVUTG-GOSISDBHSA-N 0 3 472.613 2.542 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC001296120554 1064210556 /nfs/dbraw/zinc/21/05/56/1064210556.db2.gz JLEBYOQEMYQGTA-FGZHOGPDSA-N 0 3 467.662 2.917 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CC[C@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC001296120556 1064210571 /nfs/dbraw/zinc/21/05/71/1064210571.db2.gz JLEBYOQEMYQGTA-YADHBBJMSA-N 0 3 467.662 2.917 20 0 JFADHN CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N1CCN(CC)CC1)C(C)C ZINC001296121343 1064212739 /nfs/dbraw/zinc/21/27/39/1064212739.db2.gz NYFXSPZHPSNMND-IBGZPJMESA-N 0 3 490.722 2.807 20 0 JFADHN CC[C@H](C)c1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001291669991 1064212844 /nfs/dbraw/zinc/21/28/44/1064212844.db2.gz NDIKMFUQZPHRBO-ZCNNSNEGSA-N 0 3 474.654 2.902 20 0 JFADHN CC[C@@H](C)c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCCN1CCN(CC)CC1 ZINC001291672346 1064214047 /nfs/dbraw/zinc/21/40/47/1064214047.db2.gz QCEZFUGHMUQADB-RTWAWAEBSA-N 0 3 493.697 2.549 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CCC(CCCO)CC2)CC1 ZINC001296122592 1064215075 /nfs/dbraw/zinc/21/50/75/1064215075.db2.gz YHAJCRUMYALTCD-NRFANRHFSA-N 0 3 470.662 2.969 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCC(CC(=O)N3CCCC3)CC2)CC1 ZINC001296122601 1064215404 /nfs/dbraw/zinc/21/54/04/1064215404.db2.gz YKHDTFYQEAKWAH-OAQYLSRUSA-N 0 3 459.683 2.656 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001296124152 1064216756 /nfs/dbraw/zinc/21/67/56/1064216756.db2.gz FPPCLNXUPGSWED-KRWDZBQOSA-N 0 3 480.032 2.724 20 0 JFADHN CC[C@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001291680825 1064216826 /nfs/dbraw/zinc/21/68/26/1064216826.db2.gz HUTRITYCAXLKBI-IBGZPJMESA-N 0 3 450.697 2.920 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCSC[C@@H]2C)CC1 ZINC001296124344 1064217075 /nfs/dbraw/zinc/21/70/75/1064217075.db2.gz GXUIYTIBGPDURG-OALUTQOASA-N 0 3 474.675 2.930 20 0 JFADHN CC(C)CNC(=O)N1CCC[C@H](C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC001291686899 1064217497 /nfs/dbraw/zinc/21/74/97/1064217497.db2.gz VIMBCEASXXZTBH-DEOSSOPVSA-N 0 3 457.663 2.778 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N(C)CCCC(=O)NC)CC1 ZINC001296125200 1064218358 /nfs/dbraw/zinc/21/83/58/1064218358.db2.gz LIGBTGHDQMYMOH-GOSISDBHSA-N 0 3 462.042 2.587 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3ccc4ccccc4n3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001296125556 1064219347 /nfs/dbraw/zinc/21/93/47/1064219347.db2.gz MOBMYPYUIVTBSM-OAQYLSRUSA-N 0 3 492.672 2.728 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001296126027 1064220128 /nfs/dbraw/zinc/22/01/28/1064220128.db2.gz OQZOFFSVCSEMNL-SFHVURJKSA-N 0 3 483.617 2.921 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001296126457 1064220533 /nfs/dbraw/zinc/22/05/33/1064220533.db2.gz QHRWTYSHVMHQPH-RTBURBONSA-N 0 3 467.618 2.536 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](CCOC)C2)CC1 ZINC001296126463 1064220796 /nfs/dbraw/zinc/22/07/96/1064220796.db2.gz QKPMUZBDWAGCID-OALUTQOASA-N 0 3 462.042 2.882 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)CC2CCOCC2)CC1 ZINC001296126923 1064221215 /nfs/dbraw/zinc/22/12/15/1064221215.db2.gz SUXACTXFDHIYRA-FQEVSTJZSA-N 0 3 486.661 2.851 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3OC)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001296127246 1064221688 /nfs/dbraw/zinc/22/16/88/1064221688.db2.gz UJBIDJHUSOAUMY-RBKXMNCYSA-N 0 3 497.688 2.863 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296130993 1064224532 /nfs/dbraw/zinc/22/45/32/1064224532.db2.gz HOFWLIZMYAADSC-IBGZPJMESA-N 0 3 496.050 2.935 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)Cc2cnn(-c3ccccc3)n2)CC1 ZINC001296131320 1064225422 /nfs/dbraw/zinc/22/54/22/1064225422.db2.gz JNPOBYKEGUWKNI-OAQYLSRUSA-N 0 3 465.650 2.720 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC=C(COC)CC2)CC1 ZINC001296131749 1064226436 /nfs/dbraw/zinc/22/64/36/1064226436.db2.gz MSMGVQAMZNXGPN-NRFANRHFSA-N 0 3 468.646 2.686 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001296131800 1064227397 /nfs/dbraw/zinc/22/73/97/1064227397.db2.gz NKZGRKZVXNHHRN-UYAOXDASSA-N 0 3 461.680 2.523 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001296132290 1064229318 /nfs/dbraw/zinc/22/93/18/1064229318.db2.gz AOWCXZOIMXUNRH-CPJSRVTESA-N 0 3 485.702 2.607 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296132346 1064229762 /nfs/dbraw/zinc/22/97/62/1064229762.db2.gz SMXPGNKXZKPYRG-CPJSRVTESA-N 0 3 462.683 2.667 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(N3CCSC(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296132663 1064231181 /nfs/dbraw/zinc/23/11/81/1064231181.db2.gz CLMDOMGKQMIPHV-HYBUGGRVSA-N 0 3 480.723 2.677 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC(C)(OC)C2)CC1 ZINC001296133212 1064233140 /nfs/dbraw/zinc/23/31/40/1064233140.db2.gz GZPAFSWLVZTYFG-UXHICEINSA-N 0 3 491.681 2.601 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C(N)=O)(c3ccccc3)CC2)CC1 ZINC001296133274 1064233201 /nfs/dbraw/zinc/23/32/01/1064233201.db2.gz YYMUWRGOLRLBKQ-QFIPXVFZSA-N 0 3 495.716 2.916 20 0 JFADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296133580 1064234043 /nfs/dbraw/zinc/23/40/43/1064234043.db2.gz JBPJPTNZABPUDU-OALUTQOASA-N 0 3 463.026 2.762 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001296133932 1064235006 /nfs/dbraw/zinc/23/50/06/1064235006.db2.gz LKDCYHHTYKGXIK-HXUWFJFHSA-N 0 3 457.667 2.609 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296134343 1064235809 /nfs/dbraw/zinc/23/58/09/1064235809.db2.gz NMXQVLXPCSDZGP-PQNGQFLHSA-N 0 3 486.661 2.753 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296134837 1064237542 /nfs/dbraw/zinc/23/75/42/1064237542.db2.gz RBRVIKUABMAZCE-RLWLMLJZSA-N 0 3 486.661 2.897 20 0 JFADHN CCN1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296135445 1064239333 /nfs/dbraw/zinc/23/93/33/1064239333.db2.gz YKDBSHGABLJDIO-TZIWHRDSSA-N 0 3 496.578 2.959 20 0 JFADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001296135475 1064239697 /nfs/dbraw/zinc/23/96/97/1064239697.db2.gz YYGUDOZQDVQKRL-ZGJYDULXSA-N 0 3 462.683 2.836 20 0 JFADHN CC[C@H](C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC001291760869 1064242277 /nfs/dbraw/zinc/24/22/77/1064242277.db2.gz OGZCCOBQANBVND-WFXMLNOXSA-N 0 3 463.648 2.940 20 0 JFADHN CC[C@@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001291772826 1064256301 /nfs/dbraw/zinc/25/63/01/1064256301.db2.gz CPSVCJITDIZBCS-QZTJIDSGSA-N 0 3 496.628 2.515 20 0 JFADHN CC[C@@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001291772957 1064257269 /nfs/dbraw/zinc/25/72/69/1064257269.db2.gz CUTHSZBVLGXCGH-QSRFUDQGSA-N 0 3 480.723 2.611 20 0 JFADHN CC[C@@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC001291772998 1064257506 /nfs/dbraw/zinc/25/75/06/1064257506.db2.gz DFPXTBPPPRBUCV-IRLDBZIGSA-N 0 3 480.723 2.613 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001291773416 1064258518 /nfs/dbraw/zinc/25/85/18/1064258518.db2.gz HIFDURPPYQZQHI-JTHBVZDNSA-N 0 3 488.702 2.623 20 0 JFADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC001291773646 1064259427 /nfs/dbraw/zinc/25/94/27/1064259427.db2.gz ILTGHKZLJCXIGX-ONTIZHBOSA-N 0 3 475.659 2.797 20 0 JFADHN CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cnccc2OC)C[C@H]1C ZINC001296149571 1064261925 /nfs/dbraw/zinc/26/19/25/1064261925.db2.gz JYTMCTRVNCFUSC-QGZVFWFLSA-N 0 3 452.559 2.945 20 0 JFADHN CC[C@@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(C)c1 ZINC001291775241 1064263956 /nfs/dbraw/zinc/26/39/56/1064263956.db2.gz VRVYZQMPVUJYOT-QUCCMNQESA-N 0 3 463.648 2.864 20 0 JFADHN CC[C@@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)ccc1F ZINC001291775339 1064264000 /nfs/dbraw/zinc/26/40/00/1064264000.db2.gz WIFFHQFKDKQGBO-QZTJIDSGSA-N 0 3 451.612 2.994 20 0 JFADHN CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001296156075 1064268674 /nfs/dbraw/zinc/26/86/74/1064268674.db2.gz SPDSKTOIPVDNEG-JXFKEZNVSA-N 0 3 458.561 2.790 20 0 JFADHN CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001296156085 1064268740 /nfs/dbraw/zinc/26/87/40/1064268740.db2.gz SPDSKTOIPVDNEG-OXJNMPFZSA-N 0 3 458.561 2.790 20 0 JFADHN CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001296165855 1064285471 /nfs/dbraw/zinc/28/54/71/1064285471.db2.gz BHXYVAANFRTOPQ-LADGPHEKSA-N 0 3 454.663 2.951 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(C(C)C)n3Cc3cccnc3OCC(F)F)C2)CC1 ZINC001296173683 1064297030 /nfs/dbraw/zinc/29/70/30/1064297030.db2.gz JXBFEBMTOYUVOZ-LJQANCHMSA-N 0 3 463.577 2.705 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3csc(COC)n3)C2)CC1 ZINC001296178561 1064305984 /nfs/dbraw/zinc/30/59/84/1064305984.db2.gz AOCDSNANBWXPQW-IBGZPJMESA-N 0 3 461.680 2.734 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4OC)n3CCC(C)(C)O)C2)CC1 ZINC001296180080 1064310364 /nfs/dbraw/zinc/31/03/64/1064310364.db2.gz LDDAMDSCKHUBAT-IBGZPJMESA-N 0 3 477.053 2.984 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(OC)c4)n3CC(O)(CC)CC)C2)CC1 ZINC001296180750 1064313001 /nfs/dbraw/zinc/31/30/01/1064313001.db2.gz QSYZCNBJKBRJBM-OAQYLSRUSA-N 0 3 456.635 2.721 20 0 JFADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@](C)(O)C(C)C)C2)CC1 ZINC001296180746 1064313096 /nfs/dbraw/zinc/31/30/96/1064313096.db2.gz QSKUEZKPDGECHH-XXBNENTESA-N 0 3 462.042 2.617 20 0 JFADHN CCN(CC)C(=O)CCCn1c(-c2ccccc2F)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001296181755 1064317935 /nfs/dbraw/zinc/31/79/35/1064317935.db2.gz ZXNSFSHAYMAXDX-NRFANRHFSA-N 0 3 485.652 2.949 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)C)n3CC(F)(F)CNC(=O)OC(C)(C)C)C2)CC1 ZINC001296181893 1064319423 /nfs/dbraw/zinc/31/94/23/1064319423.db2.gz GPELFECPYIOFKJ-IBGZPJMESA-N 0 3 499.651 2.853 20 0 JFADHN CCN1CCN([C@H]2CCN(c3nnc(Cc4ccc(F)cc4)n3CC(C)(C)COC)C2)CC1 ZINC001296182649 1064324549 /nfs/dbraw/zinc/32/45/49/1064324549.db2.gz VWHQQYACZMLPMF-QFIPXVFZSA-N 0 3 458.626 2.897 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C2CC2)CC1 ZINC001296185049 1064333041 /nfs/dbraw/zinc/33/30/41/1064333041.db2.gz NZYKKCVTEDUSQZ-SFHVURJKSA-N 0 3 474.053 2.734 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(F)cc(F)cc3C2)CC1 ZINC001296186055 1064334247 /nfs/dbraw/zinc/33/42/47/1064334247.db2.gz SXSFECROQFZXAL-SFHVURJKSA-N 0 3 489.615 2.531 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296186689 1064334936 /nfs/dbraw/zinc/33/49/36/1064334936.db2.gz YENXRZMURLHCOQ-IBGZPJMESA-N 0 3 459.605 2.750 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001296190977 1064340262 /nfs/dbraw/zinc/34/02/62/1064340262.db2.gz GYCWLNKRAUZNPQ-GOSISDBHSA-N 0 3 485.706 2.586 20 0 JFADHN CC[C@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001291812974 1064340993 /nfs/dbraw/zinc/34/09/93/1064340993.db2.gz SJQFQXKDBYXAMD-DPLHUUCSSA-N 0 3 495.672 2.629 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296192107 1064344081 /nfs/dbraw/zinc/34/40/81/1064344081.db2.gz MDKBGJNUNACYHJ-BKMJKUGQSA-N 0 3 469.678 2.933 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296192409 1064345388 /nfs/dbraw/zinc/34/53/88/1064345388.db2.gz DWKIPBROKMVGBT-GMAHTHKFSA-N 0 3 470.662 2.973 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2nccs2)CC1 ZINC001296192377 1064345495 /nfs/dbraw/zinc/34/54/95/1064345495.db2.gz DMYJLHJFARBBEM-SFHVURJKSA-N 0 3 471.679 2.506 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(N3CCC(Nc4cccnn4)CC3)nnc2C(C)(C)C)CC1 ZINC001296192421 1064346061 /nfs/dbraw/zinc/34/60/61/1064346061.db2.gz FBBYUAJJKVHUGM-HXUWFJFHSA-N 0 3 469.682 2.720 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2Nc2cnn(C)c2)CC1 ZINC001296192422 1064346086 /nfs/dbraw/zinc/34/60/86/1064346086.db2.gz FBSYBTAILVNFAP-GOSISDBHSA-N 0 3 456.570 2.747 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(N3CCC[C@@H](c4nc(C)no4)C3)nnc2C(C)(C)C)CC1 ZINC001296193358 1064350328 /nfs/dbraw/zinc/35/03/28/1064350328.db2.gz IKEMZKDDJBZGJZ-UYAOXDASSA-N 0 3 458.655 2.925 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC001296193499 1064351058 /nfs/dbraw/zinc/35/10/58/1064351058.db2.gz IVFWDRYFXSRQTG-FQEVSTJZSA-N 0 3 467.662 2.815 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296193700 1064351246 /nfs/dbraw/zinc/35/12/46/1064351246.db2.gz PDROLAUYWKMQQB-PKOBYXMFSA-N 0 3 486.608 2.972 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296193712 1064352609 /nfs/dbraw/zinc/35/26/09/1064352609.db2.gz PGBAQTUBISQRTO-SQJMNOBHSA-N 0 3 462.683 2.525 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296193711 1064352643 /nfs/dbraw/zinc/35/26/43/1064352643.db2.gz PGBAQTUBISQRTO-PXDATVDWSA-N 0 3 462.683 2.525 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC001296195608 1064361997 /nfs/dbraw/zinc/36/19/97/1064361997.db2.gz WMDQWHCNYBRSAK-IPMKNSEASA-N 0 3 460.589 2.906 20 0 JFADHN CCN1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001296195876 1064364251 /nfs/dbraw/zinc/36/42/51/1064364251.db2.gz RIMDIMVJLVGEMM-RLWLMLJZSA-N 0 3 486.709 2.809 20 0 JFADHN CCN1CCN(C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001296196110 1064364692 /nfs/dbraw/zinc/36/46/92/1064364692.db2.gz XHAQSBNCWDBTHK-RBBKRZOGSA-N 0 3 457.692 2.869 20 0 JFADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H]2Cc2ccccc2)CC1 ZINC001296202268 1064377998 /nfs/dbraw/zinc/37/79/98/1064377998.db2.gz CGXZKIFENQBWNA-HSZRJFAPSA-N 0 3 467.662 2.655 20 0 JFADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N(C)Cc2nc3ccccc3s2)CC1 ZINC001296202583 1064378589 /nfs/dbraw/zinc/37/85/89/1064378589.db2.gz GGMYWGGSXVJXBW-UHFFFAOYSA-N 0 3 484.674 2.690 20 0 JFADHN CCN1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001296203335 1064381399 /nfs/dbraw/zinc/38/13/99/1064381399.db2.gz LAFMHFJGWPRELF-UHFFFAOYSA-N 0 3 498.582 2.868 20 0 JFADHN CCN1CCN(CCCn2c(C(C)C)nnc2N2CCN(c3cc(C)nc(C(C)C)n3)CC2)CC1 ZINC001296203668 1064382092 /nfs/dbraw/zinc/38/20/92/1064382092.db2.gz MXYNMVHTLUENLR-UHFFFAOYSA-N 0 3 483.709 2.978 20 0 JFADHN CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccco2)N2CCCC2)CC1 ZINC001291829447 1064386999 /nfs/dbraw/zinc/38/69/99/1064386999.db2.gz MQFIKLWWMLRGCB-SFTDATJTSA-N 0 3 471.650 2.868 20 0 JFADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)CC1 ZINC001296205027 1064388575 /nfs/dbraw/zinc/38/85/75/1064388575.db2.gz QUPHCMDYVCYLPG-BPYKYCOYSA-N 0 3 462.683 2.667 20 0 JFADHN CCN1CCN(CCCn2c(C3CCC3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001296205357 1064390909 /nfs/dbraw/zinc/39/09/09/1064390909.db2.gz UOWKMQAGJZJMDE-NRFANRHFSA-N 0 3 473.710 2.952 20 0 JFADHN CCN1CCN(CCCn2c(C3CCC3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001296205358 1064391094 /nfs/dbraw/zinc/39/10/94/1064391094.db2.gz UOWKMQAGJZJMDE-OAQYLSRUSA-N 0 3 473.710 2.952 20 0 JFADHN CCN1CCN(CCCn2c(Cc3cccnc3)nnc2N2CCC=C(Br)C2)CC1 ZINC001296211329 1064401801 /nfs/dbraw/zinc/40/18/01/1064401801.db2.gz NHFGKRXDIPOIAH-UHFFFAOYSA-N 0 3 474.451 2.780 20 0 JFADHN CCN1CCN(CCCn2c(CC(C)C)nnc2N2CCSC3(CCOCC3)C2)CC1 ZINC001296212404 1064404587 /nfs/dbraw/zinc/40/45/87/1064404587.db2.gz YKEGRIQJXQHLDI-UHFFFAOYSA-N 0 3 450.697 2.607 20 0 JFADHN CCN1CCN(CCCn2c(N3CCCC[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296212566 1064404609 /nfs/dbraw/zinc/40/46/09/1064404609.db2.gz ABYMENDCRSQJNO-RCZVLFRGSA-N 0 3 462.683 2.973 20 0 JFADHN CCN1CCN(CCCn2c(N3CCC(C(=O)N4CCCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001296213842 1064410684 /nfs/dbraw/zinc/41/06/84/1064410684.db2.gz KDHZACJNPZQDPZ-UHFFFAOYSA-N 0 3 473.710 2.832 20 0 JFADHN CCN1CCN(CCCn2c(N3CCC[C@@H](CNC(=O)C(C)C)C3)nnc2C(C)(C)C)CC1 ZINC001296215958 1064420743 /nfs/dbraw/zinc/42/07/43/1064420743.db2.gz WFMWETNPVVUJQP-NRFANRHFSA-N 0 3 461.699 2.592 20 0 JFADHN CCN1CCN(CCCn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296216050 1064421663 /nfs/dbraw/zinc/42/16/63/1064421663.db2.gz YYZQTEHYHCNGPM-HXUWFJFHSA-N 0 3 463.026 2.763 20 0 JFADHN CC[C@H](c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001291864427 1064476632 /nfs/dbraw/zinc/47/66/32/1064476632.db2.gz UIRXTGAPRVCONG-URXFXBBRSA-N 0 3 481.689 2.808 20 0 JFADHN CC[C@@H](c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@](C)(O)CC)c1ccccc1 ZINC001291889144 1064513534 /nfs/dbraw/zinc/51/35/34/1064513534.db2.gz RNCJWXFTAHKRRG-UFPGJGBJSA-N 0 3 468.646 2.724 20 0 JFADHN CC[C@@H](c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@](C)(O)CC)c1ccccc1 ZINC001291889145 1064514264 /nfs/dbraw/zinc/51/42/64/1064514264.db2.gz RNCJWXFTAHKRRG-XLGIIRLISA-N 0 3 468.646 2.724 20 0 JFADHN CC[C@H](c1nnc(N2CCN(C3CCOCC3)CC2)n1CC(=O)NC(C)C)c1ccccc1 ZINC001291891142 1064516545 /nfs/dbraw/zinc/51/65/45/1064516545.db2.gz DCYPTCMXRKYWHN-QFIPXVFZSA-N 0 3 454.619 2.646 20 0 JFADHN C[C@H](C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001296257007 1064521975 /nfs/dbraw/zinc/52/19/75/1064521975.db2.gz IIKYTCUOYAPLRI-KRWDZBQOSA-N 0 3 459.612 2.808 20 0 JFADHN CC[C@@H](c1nnc(N2CCS(=O)CC2)n1C[C@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001291900924 1064531685 /nfs/dbraw/zinc/53/16/85/1064531685.db2.gz KIQYSRNFUQKDBK-FYYLOGMGSA-N 0 3 472.703 2.662 20 0 JFADHN CCNC(=O)c1ccc(Cn2c(CC(C)C)nnc2N2CCN(C3CCOCC3)C[C@@H]2C)cc1 ZINC001296272725 1064541627 /nfs/dbraw/zinc/54/16/27/1064541627.db2.gz 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ZWEYDCMUZVBABI-QYZOEREBSA-N 0 3 496.703 2.581 20 0 JFADHN CCC(CC)[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001291973331 1064587875 /nfs/dbraw/zinc/58/78/75/1064587875.db2.gz GLSKCGDUMGAGQC-RTBURBONSA-N 0 3 453.678 2.920 20 0 JFADHN CCNC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001296312745 1064592953 /nfs/dbraw/zinc/59/29/53/1064592953.db2.gz YIFMRPVLFXDRTM-OAQYLSRUSA-N 0 3 466.565 2.634 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1(CC)CC1 ZINC001292016183 1064648552 /nfs/dbraw/zinc/64/85/52/1064648552.db2.gz DDOABSWIYACRIY-UGKGYDQZSA-N 0 3 487.693 2.766 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1C[C@@H](c1ccccc1)N(C)C ZINC001292018727 1064654759 /nfs/dbraw/zinc/65/47/59/1064654759.db2.gz YIXOGHBBFFMDDC-OYDLWJJNSA-N 0 3 497.688 2.656 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@H]1CCn2ccnc2C1 ZINC001292019386 1064657692 /nfs/dbraw/zinc/65/76/92/1064657692.db2.gz FBMFXSIGZJSBPQ-OTWHNJEPSA-N 0 3 456.639 2.575 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1CCN1CCCCC1 ZINC001292040287 1064704263 /nfs/dbraw/zinc/70/42/63/1064704263.db2.gz CKFFJBYKLYCVKO-UHFFFAOYSA-N 0 3 472.638 2.932 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1C[C@@]1(N(C)C)CCSC1 ZINC001292053900 1064719484 /nfs/dbraw/zinc/71/94/84/1064719484.db2.gz UMYUDWBJBBNKMB-DVECYGJZSA-N 0 3 478.707 2.887 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC(CO)CC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001292056175 1064726136 /nfs/dbraw/zinc/72/61/36/1064726136.db2.gz STYLUPGFZVLKHK-DEOSSOPVSA-N 0 3 498.672 2.696 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CCN1CCC(C)CC1 ZINC001292063752 1064738577 /nfs/dbraw/zinc/73/85/77/1064738577.db2.gz ZLVLPVYGGPEZRY-UHFFFAOYSA-N 0 3 487.693 2.910 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3cc(C)cn3)C2)n1C[C@@]1(N(C)C)CCSC1 ZINC001292090512 1064775615 /nfs/dbraw/zinc/77/56/15/1064775615.db2.gz POWLBFVHZTYCPY-YKSBVNFPSA-N 0 3 488.706 2.980 20 0 JFADHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)C1 ZINC001292108512 1064805713 /nfs/dbraw/zinc/80/57/13/1064805713.db2.gz HJIUJDOKUANYCL-NRSPTQNISA-N 0 3 458.603 2.701 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC1CCCCC1 ZINC001292109852 1064809626 /nfs/dbraw/zinc/80/96/26/1064809626.db2.gz CIOSBENOVDPLLQ-NRFANRHFSA-N 0 3 473.666 2.520 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@]1(O)CCc2ccccc21 ZINC001292113250 1064821072 /nfs/dbraw/zinc/82/10/72/1064821072.db2.gz BODDUTBVOWKQCB-AREMUKBSSA-N 0 3 468.646 2.951 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCNC(=O)c1ccccc1F ZINC001292117843 1064846072 /nfs/dbraw/zinc/84/60/72/1064846072.db2.gz ZYHDQNGKRACTJW-UHFFFAOYSA-N 0 3 487.624 2.686 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1Cc1ccc(Cl)nc1 ZINC001292125169 1064867880 /nfs/dbraw/zinc/86/78/80/1064867880.db2.gz JTXVGNHLNZZKNZ-KRWDZBQOSA-N 0 3 490.052 2.983 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)CC2)n1Cc1cn2ccsc2n1 ZINC001292125411 1064869357 /nfs/dbraw/zinc/86/93/57/1064869357.db2.gz SFWLXNVGRXZIGV-UHFFFAOYSA-N 0 3 458.636 2.732 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCc1cccc(F)c1 ZINC001292125778 1064871654 /nfs/dbraw/zinc/87/16/54/1064871654.db2.gz GBHSIOYCYZHATI-HXUWFJFHSA-N 0 3 472.609 2.737 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC3CCCCC3)CC2)n1C[C@@]1(O)CCSC1 ZINC001292126851 1064878061 /nfs/dbraw/zinc/87/80/61/1064878061.db2.gz QAZCTGVAJFQYSV-DEOSSOPVSA-N 0 3 478.707 2.767 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nnc(C)o3)C2)n1C[C@H]1N(C)CCCC1(C)C ZINC001292143120 1064910644 /nfs/dbraw/zinc/91/06/44/1064910644.db2.gz AOJWQERPDIRPCO-RBUKOAKNSA-N 0 3 488.637 2.586 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1C[C@@H]1CCCN1CC ZINC001292143447 1064912253 /nfs/dbraw/zinc/91/22/53/1064912253.db2.gz FHHFQNDDJHYLNQ-OALUTQOASA-N 0 3 488.637 2.765 20 0 JFADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1C[C@H](C)N1CCC(C)CC1 ZINC001292145275 1064919070 /nfs/dbraw/zinc/91/90/70/1064919070.db2.gz SZDFLSSHMZBEIN-NNWRFLSQSA-N 0 3 476.666 2.701 20 0 JFADHN CC[C@H](Cn1c([C@@H](C)OCCOC)nnc1N1CC(=O)N(C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC001292173179 1064961222 /nfs/dbraw/zinc/96/12/22/1064961222.db2.gz PCUWVSVHTYFPIP-TXTKFYIRSA-N 0 3 484.645 2.506 20 0 JFADHN CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)C1)N1CCc2ccccc2C1 ZINC001292173590 1064962203 /nfs/dbraw/zinc/96/22/03/1064962203.db2.gz NNDWZFRLVYKJOE-WAOWUJCRSA-N 0 3 460.648 2.571 20 0 JFADHN CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1C)N1CCc2ccccc2C1 ZINC001292176169 1064966460 /nfs/dbraw/zinc/96/64/60/1064966460.db2.gz WZGAUOSBLHQBCI-BBTUJRGHSA-N 0 3 460.648 2.714 20 0 JFADHN CC[C@@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC2CCOCC2)CC1)OC ZINC001292190467 1064981513 /nfs/dbraw/zinc/98/15/13/1064981513.db2.gz BXEYGNKWOIEHIW-FQEVSTJZSA-N 0 3 473.618 2.936 20 0 JFADHN CC[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)OC ZINC001292212785 1065003195 /nfs/dbraw/zinc/00/31/95/1065003195.db2.gz WLZTXKYQQLQKGQ-KZNAEPCWSA-N 0 3 453.591 2.536 20 0 JFADHN CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1)OC ZINC001292262812 1065041890 /nfs/dbraw/zinc/04/18/90/1065041890.db2.gz SNBSMBJOELIANL-KCZVDYSFSA-N 0 3 478.682 2.612 20 0 JFADHN CCC(O)(CC)Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001292284096 1065057975 /nfs/dbraw/zinc/05/79/75/1065057975.db2.gz MBTCIBIADUNHPF-HXUWFJFHSA-N 0 3 459.639 2.521 20 0 JFADHN CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)O1 ZINC001292304933 1065075239 /nfs/dbraw/zinc/07/52/39/1065075239.db2.gz OGDBIVIOSNNDTQ-OHUGHZGNSA-N 0 3 460.667 2.957 20 0 JFADHN Cc1nc(C(=O)Nc2ccccc2CN2CCSCC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC001292330509 1065087549 /nfs/dbraw/zinc/08/75/49/1065087549.db2.gz MZWLEEDAVXAMLZ-UHFFFAOYSA-N 0 3 452.466 2.514 20 0 JFADHN CN(C)CCSc1nc(CC(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)cs1 ZINC001292350596 1065095741 /nfs/dbraw/zinc/09/57/41/1065095741.db2.gz CFWUOYDNHMOEDP-IBGZPJMESA-N 0 3 452.621 2.668 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H]2CCCOC2)N(C)C)cc1 ZINC001292458323 1065180920 /nfs/dbraw/zinc/18/09/20/1065180920.db2.gz ORTVHVCQHKEMCU-BVSLBCMMSA-N 0 3 454.619 2.957 20 0 JFADHN CCc1ccc([C@@H](Cn2c(N3C[C@@H](CC(=O)OC)[C@H](O)C3)nnc2C(C)(C)C)N(C)C)cc1 ZINC001292458726 1065182934 /nfs/dbraw/zinc/18/29/34/1065182934.db2.gz BAHIEYVRAJWADJ-NJDAHSKKSA-N 0 3 457.619 2.801 20 0 JFADHN CCc1ccc([C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC)C(C)C)N(C)C)cc1 ZINC001292460527 1065188361 /nfs/dbraw/zinc/18/83/61/1065188361.db2.gz IDJABODKZLXYQC-YADHBBJMSA-N 0 3 492.690 2.711 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)C(C)C)CC2)N(C)C)cc1 ZINC001292460529 1065188475 /nfs/dbraw/zinc/18/84/75/1065188475.db2.gz IEZNKLOLHQJHCP-GOTSBHOMSA-N 0 3 468.646 2.952 20 0 JFADHN CCc1ccc([C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC)C(C)C)N(C)C)cc1 ZINC001292460525 1065188489 /nfs/dbraw/zinc/18/84/89/1065188489.db2.gz IDJABODKZLXYQC-FGZHOGPDSA-N 0 3 492.690 2.711 20 0 JFADHN CCc1ccc([C@H](Cn2c([C@H]3CCOC3)nnc2N2CCC(CC(=O)NC)CC2)N(C)C)cc1 ZINC001292462387 1065191498 /nfs/dbraw/zinc/19/14/98/1065191498.db2.gz RXSVMNUYORSNRY-GOTSBHOMSA-N 0 3 468.646 3.000 20 0 JFADHN CCc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H](C(CC)CC)N2CCOCC2)cc1 ZINC001292488607 1065210185 /nfs/dbraw/zinc/21/01/85/1065210185.db2.gz OVBWQRLOJPXAQI-XZOQPEGZSA-N 0 3 468.646 2.956 20 0 JFADHN CCc1ccc(-c2nnc(N3CCN(C(=O)CN(CC)CC)CC3)n2Cc2cnn(CC)c2)cc1 ZINC001292515013 1065236382 /nfs/dbraw/zinc/23/63/82/1065236382.db2.gz WWBSWFAEBAEQSA-UHFFFAOYSA-N 0 3 478.645 2.763 20 0 JFADHN CCc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)(C)C)CC2)cc1 ZINC001292540514 1065263019 /nfs/dbraw/zinc/26/30/19/1065263019.db2.gz GBQONNUUPDRZCW-GOSISDBHSA-N 0 3 462.664 2.614 20 0 JFADHN CCc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1Cc1ccc(C(N)=O)nc1 ZINC001292589416 1065305847 /nfs/dbraw/zinc/30/58/47/1065305847.db2.gz LLQZGDFGJXOWNI-RBUKOAKNSA-N 0 3 477.613 2.881 20 0 JFADHN CCc1ccccc1OCc1nnc(N2CCC[C@H](NC(C)=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001292605451 1065331141 /nfs/dbraw/zinc/33/11/41/1065331141.db2.gz JBIXUZOISSDIFR-QHCPKHFHSA-N 0 3 497.688 2.550 20 0 JFADHN CN(C)CCN1C[C@@H](C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC001292636179 1065373907 /nfs/dbraw/zinc/37/39/07/1065373907.db2.gz RABCDIPTOSEPCI-KBXCAEBGSA-N 0 3 455.386 2.723 20 0 JFADHN CCc1nc(C)c(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)o1 ZINC001292678056 1065416948 /nfs/dbraw/zinc/41/69/48/1065416948.db2.gz CBHMWGUYGTUHFO-CVEARBPZSA-N 0 3 452.563 2.751 20 0 JFADHN CCc1nc(CCn2c(N3CCN(C(=O)[C@H]4CCCN4C)CC3)nnc2C(C)(C)C)cs1 ZINC001292720253 1065480016 /nfs/dbraw/zinc/48/00/16/1065480016.db2.gz FFSBUCQMMQYMKP-GOSISDBHSA-N 0 3 459.664 2.580 20 0 JFADHN CCc1nc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)C)C2)cs1 ZINC001292729550 1065491984 /nfs/dbraw/zinc/49/19/84/1065491984.db2.gz UCGVUAOSCKLFBZ-ROUUACIJSA-N 0 3 480.704 2.956 20 0 JFADHN CCc1nc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(C)C)CC2)cs1 ZINC001292737112 1065498175 /nfs/dbraw/zinc/49/81/75/1065498175.db2.gz FLMCHKJLSWUBAB-UHFFFAOYSA-N 0 3 454.604 2.771 20 0 JFADHN CCc1nc(Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C3CCOCC3)C[C@H]2C)cs1 ZINC001292737530 1065498867 /nfs/dbraw/zinc/49/88/67/1065498867.db2.gz LOANANFGMWMQKL-QZTJIDSGSA-N 0 3 478.663 2.759 20 0 JFADHN CCc1nnc(Cn2c(N3CCN(CC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001292802475 1065560029 /nfs/dbraw/zinc/56/00/29/1065560029.db2.gz FQPWLMPKOHNSEH-QFIPXVFZSA-N 0 3 463.652 2.559 20 0 JFADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 ZINC001292811685 1065563336 /nfs/dbraw/zinc/56/33/36/1065563336.db2.gz KQULIYIICMSNJT-QFIPXVFZSA-N 0 3 450.986 2.773 20 0 JFADHN CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC[C@](C)(O)c1ccccc1 ZINC001292892225 1065588982 /nfs/dbraw/zinc/58/89/82/1065588982.db2.gz AYZUGLYUNCJEFX-CLLDFNAGSA-N 0 3 468.646 2.517 20 0 JFADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001292892767 1065591475 /nfs/dbraw/zinc/59/14/75/1065591475.db2.gz HZRKWWNRJMDIDF-IMSXRSKXSA-N 0 3 467.662 2.744 20 0 JFADHN CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCOc1c(C)cccc1C ZINC001292893427 1065594206 /nfs/dbraw/zinc/59/42/06/1065594206.db2.gz NVGYHGALKQHTGZ-GMAHTHKFSA-N 0 3 468.646 2.915 20 0 JFADHN CCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CCOc1c(C)cccc1C ZINC001292893426 1065594311 /nfs/dbraw/zinc/59/43/11/1065594311.db2.gz NVGYHGALKQHTGZ-GGAORHGYSA-N 0 3 468.646 2.915 20 0 JFADHN CCc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001292922619 1065609319 /nfs/dbraw/zinc/60/93/19/1065609319.db2.gz FGIANYOTVDNROJ-DOTOQJQBSA-N 0 3 456.488 2.787 20 0 JFADHN CCc1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001292924806 1065617581 /nfs/dbraw/zinc/61/75/81/1065617581.db2.gz QXSNNFNRZHLZIS-OAQYLSRUSA-N 0 3 499.679 2.786 20 0 JFADHN CN(C)CCSc1nc(CC(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)cs1 ZINC001292949771 1065629823 /nfs/dbraw/zinc/62/98/23/1065629823.db2.gz VQXDXHHLRCAKNB-QGZVFWFLSA-N 0 3 453.703 2.506 20 0 JFADHN CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001292978790 1065659752 /nfs/dbraw/zinc/65/97/52/1065659752.db2.gz XIMLXAVBIVBWDY-IBGZPJMESA-N 0 3 487.718 2.883 20 0 JFADHN CCc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001292991608 1065679310 /nfs/dbraw/zinc/67/93/10/1065679310.db2.gz QKWYHXSMMGAYDO-GOSISDBHSA-N 0 3 477.057 2.605 20 0 JFADHN CCc1nnc(N2CCC[C@H](Nc3ccccc3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001293044506 1065709375 /nfs/dbraw/zinc/70/93/75/1065709375.db2.gz KWPKSZNKTJZGGE-FCHUYYIVSA-N 0 3 453.635 2.864 20 0 JFADHN CCc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@@H](c1ccco1)N(CC)CC ZINC001293068057 1065719689 /nfs/dbraw/zinc/71/96/89/1065719689.db2.gz AJRXXZOFCGWDGL-NRFANRHFSA-N 0 3 471.650 2.651 20 0 JFADHN CCc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001293068593 1065721213 /nfs/dbraw/zinc/72/12/13/1065721213.db2.gz JOPQMCSEQMIHLT-QFIPXVFZSA-N 0 3 454.598 2.728 20 0 JFADHN CCc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001293068592 1065721281 /nfs/dbraw/zinc/72/12/81/1065721281.db2.gz JOPQMCSEQMIHLT-JOCHJYFZSA-N 0 3 454.598 2.728 20 0 JFADHN CCc1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001293081161 1065730188 /nfs/dbraw/zinc/73/01/88/1065730188.db2.gz GBCBGMQNYYETSG-FQEVSTJZSA-N 0 3 454.619 2.877 20 0 JFADHN CCc1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001293081161 1065730199 /nfs/dbraw/zinc/73/01/99/1065730199.db2.gz GBCBGMQNYYETSG-FQEVSTJZSA-N 0 3 454.619 2.877 20 0 JFADHN CCc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001293082151 1065731900 /nfs/dbraw/zinc/73/19/00/1065731900.db2.gz VANMOPYMUAVANK-BGYRXZFFSA-N 0 3 454.619 2.877 20 0 JFADHN CCc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001293082151 1065731908 /nfs/dbraw/zinc/73/19/08/1065731908.db2.gz VANMOPYMUAVANK-BGYRXZFFSA-N 0 3 454.619 2.877 20 0 JFADHN CCc1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001293115436 1065760863 /nfs/dbraw/zinc/76/08/63/1065760863.db2.gz AIEVXRLETFXWOX-LJQANCHMSA-N 0 3 462.639 2.789 20 0 JFADHN CCc1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001293130899 1065782217 /nfs/dbraw/zinc/78/22/17/1065782217.db2.gz KWTGQJVYQHWVOD-SFHVURJKSA-N 0 3 450.628 2.550 20 0 JFADHN CCc1nnc(N2CCN(CC3CCOCC3)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001293132665 1065785148 /nfs/dbraw/zinc/78/51/48/1065785148.db2.gz YFNSUVQCGWHVSY-UHFFFAOYSA-N 0 3 462.639 2.789 20 0 JFADHN CN(C)CCN(Cc1ccccn1)C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC001293154571 1065795239 /nfs/dbraw/zinc/79/52/39/1065795239.db2.gz KQJNZSNHSKFURR-AREMUKBSSA-N 0 3 459.550 2.592 20 0 JFADHN CN(C)CCN(Cc1ccccn1)C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC001293154573 1065795332 /nfs/dbraw/zinc/79/53/32/1065795332.db2.gz KQJNZSNHSKFURR-SANMLTNESA-N 0 3 459.550 2.592 20 0 JFADHN CC[C@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCN(CC)CC1 ZINC001293250076 1065915156 /nfs/dbraw/zinc/91/51/56/1065915156.db2.gz FTGHBTREXHLSGL-UXHICEINSA-N 0 3 454.623 2.578 20 0 JFADHN CC[C@@H]1C[C@H](C)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001293298739 1065939670 /nfs/dbraw/zinc/93/96/70/1065939670.db2.gz QWPRIAVXHRXMQR-NEOGFGCTSA-N 0 3 478.663 2.825 20 0 JFADHN CC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCc3ccccc3C2)C1 ZINC001293455602 1066012516 /nfs/dbraw/zinc/01/25/16/1066012516.db2.gz PBKKZVZRTWLUFH-GBESFXJTSA-N 0 3 460.648 2.571 20 0 JFADHN CC[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)CN2CCN(CC)CC2)C1 ZINC001293457088 1066013747 /nfs/dbraw/zinc/01/37/47/1066013747.db2.gz SHRCZJWQDJOXJV-TZBSWOFLSA-N 0 3 462.683 2.829 20 0 JFADHN CCC1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001293490079 1066025070 /nfs/dbraw/zinc/02/50/70/1066025070.db2.gz XUPRZBYNIJMCLM-JOCHJYFZSA-N 0 3 453.635 2.833 20 0 JFADHN CC[C@@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)N2CCN(CC)CC2)C[C@H](C)O1 ZINC001293540121 1066059245 /nfs/dbraw/zinc/05/92/45/1066059245.db2.gz LXEXICBVLCOJCF-JAXLGGSGSA-N 0 3 486.661 2.992 20 0 JFADHN CC(C)(C)C(=O)NC1CCC(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC001293557880 1066071405 /nfs/dbraw/zinc/07/14/05/1066071405.db2.gz CWQZWGVFPYSFOC-UHFFFAOYSA-N 0 3 456.631 2.850 20 0 JFADHN O=C(NCCN1CCCC1)c1ccc(CNC(=O)c2cccnc2OCC(F)(F)F)cc1 ZINC001293558324 1066071762 /nfs/dbraw/zinc/07/17/62/1066071762.db2.gz JNLWTSZFTIIHRZ-UHFFFAOYSA-N 0 3 450.461 2.778 20 0 JFADHN CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC001293558648 1066072499 /nfs/dbraw/zinc/07/24/99/1066072499.db2.gz QOQNIYGZZSGSFC-NJYVYQBISA-N 0 3 456.587 2.526 20 0 JFADHN CC(C)(C)OC(=O)N(CC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1)CC1CC1 ZINC001293559074 1066073201 /nfs/dbraw/zinc/07/32/01/1066073201.db2.gz ZRKUHRXUNRJHDJ-UHFFFAOYSA-N 0 3 458.603 2.776 20 0 JFADHN CC/C=C\Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001293667774 1066170172 /nfs/dbraw/zinc/17/01/72/1066170172.db2.gz QSSXXUJDKPEMCH-XFHJGTJQSA-N 0 3 490.450 2.755 20 0 JFADHN CC/C=C\Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001293704333 1066178257 /nfs/dbraw/zinc/17/82/57/1066178257.db2.gz CTTKYZJKECEOSF-LWAZDOKKSA-N 0 3 468.602 2.747 20 0 JFADHN CC/C=C\Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001293712432 1066180205 /nfs/dbraw/zinc/18/02/05/1066180205.db2.gz RBPLQUWBAWRZNE-DPVXCJKMSA-N 0 3 452.603 2.587 20 0 JFADHN CCC[C@](C)(O)Cn1c(C2CCCC2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001293818867 1066326284 /nfs/dbraw/zinc/32/62/84/1066326284.db2.gz ASPTXHOAKTXYCX-JTJYXVOQSA-N 0 3 460.667 2.866 20 0 JFADHN CCC[C@@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001293824953 1066333729 /nfs/dbraw/zinc/33/37/29/1066333729.db2.gz YJBIMMKSICNDQS-UQBPGWFLSA-N 0 3 476.616 2.914 20 0 JFADHN O=C(CCCN1C(=O)c2ccccc2C1=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001293845486 1066347927 /nfs/dbraw/zinc/34/79/27/1066347927.db2.gz PPXAYMCMFHMCNM-UHFFFAOYSA-N 0 3 453.514 2.862 20 0 JFADHN CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001293850062 1066354733 /nfs/dbraw/zinc/35/47/33/1066354733.db2.gz MYGDEXWOAUZUQJ-QUCCMNQESA-N 0 3 458.607 2.557 20 0 JFADHN CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001293850061 1066354839 /nfs/dbraw/zinc/35/48/39/1066354839.db2.gz MYGDEXWOAUZUQJ-ICSRJNTNSA-N 0 3 458.607 2.557 20 0 JFADHN CCC[C@H](C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001293861740 1066370663 /nfs/dbraw/zinc/37/06/63/1066370663.db2.gz GOXNUKFIKGNGCR-RJGXRXQPSA-N 0 3 489.709 2.677 20 0 JFADHN CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CC)C1 ZINC001293933798 1066413411 /nfs/dbraw/zinc/41/34/11/1066413411.db2.gz TWTQKHCXYMFUKO-PCCBWWKXSA-N 0 3 473.666 2.520 20 0 JFADHN CCC[C@@H]1CN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(N(C)C)CCSC2)CCO1 ZINC001294054441 1066526274 /nfs/dbraw/zinc/52/62/74/1066526274.db2.gz GVUNJLNBMMDNHI-XMSQKQJNSA-N 0 3 452.669 2.639 20 0 JFADHN CCC[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCCC2)CCO1 ZINC001294056196 1066530472 /nfs/dbraw/zinc/53/04/72/1066530472.db2.gz ZZIUAACIUIOFCA-FQEVSTJZSA-N 0 3 461.010 2.963 20 0 JFADHN CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCN1CCOC ZINC001294058530 1066531143 /nfs/dbraw/zinc/53/11/43/1066531143.db2.gz RGFSVZZVVLWGHR-RTBURBONSA-N 0 3 476.588 2.602 20 0 JFADHN CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccn(CC)c2=O)CCN1CCOC ZINC001294072670 1066542138 /nfs/dbraw/zinc/54/21/38/1066542138.db2.gz HTVXJNBBPDBOSF-OAQYLSRUSA-N 0 3 465.602 2.507 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2cc(C(C)(C)C)no2)CCN1CCOC ZINC001294075543 1066544704 /nfs/dbraw/zinc/54/47/04/1066544704.db2.gz AVUMUKJOBVNCSI-IBGZPJMESA-N 0 3 470.622 2.950 20 0 JFADHN CCC[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc([C@H](C)O)cc2)CCN1CCOC ZINC001294077881 1066547310 /nfs/dbraw/zinc/54/73/10/1066547310.db2.gz TVMXGLCEBIBGAT-UGKGYDQZSA-N 0 3 465.602 2.774 20 0 JFADHN COc1ccc(N2C(=O)CC[C@H](C(=O)NCCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004756716 524387981 /nfs/dbraw/zinc/38/79/81/524387981.db2.gz MWDQIXBSIKJNCK-GBXCKJPGSA-N 0 3 455.555 2.875 20 0 JFADHN