smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)CN1CCCC12CCN(c1ncnc(Cl)c1[C@H](C)C(=O)OC)CC2 ZINC001164692018 719754531 /nfs/dbraw/zinc/75/45/31/719754531.db2.gz QXFIWOXZOUGAJS-ZDUSSCGKSA-N 0 3 409.918 1.587 20 0 HDADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)CC2 ZINC001164690127 719754842 /nfs/dbraw/zinc/75/48/42/719754842.db2.gz UCNCYEWQGKTPJG-CQSZACIVSA-N 0 3 409.918 1.479 20 0 HDADHN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(CN(C)C2CC2)cn1 ZINC001164705728 719871639 /nfs/dbraw/zinc/87/16/39/719871639.db2.gz OCWRWKKGYPETHG-UGKGYDQZSA-N 0 3 402.539 1.909 20 0 HDADHN CN(Cc1ccc(N2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@H]3C2)nc1)C1CC1 ZINC001164703623 719922346 /nfs/dbraw/zinc/92/23/46/719922346.db2.gz LCJHFDXKKPOFQP-YZGWKJHDSA-N 0 3 400.523 1.929 20 0 HDADHN CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@@H](CCN2c2ncccc2CN2CCCC2)O1 ZINC001164721646 720324274 /nfs/dbraw/zinc/32/42/74/720324274.db2.gz CSLAIVLGPURRAU-XUVXKRRUSA-N 0 3 402.539 1.909 20 0 HDADHN CN(C)c1cccc(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)n1 ZINC001164824127 720435582 /nfs/dbraw/zinc/43/55/82/720435582.db2.gz MKVLTVNPFGUKGT-QGZVFWFLSA-N 0 3 400.527 1.334 20 0 HDADHN COc1cc2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c(OC)c1 ZINC001164738475 720709292 /nfs/dbraw/zinc/70/92/92/720709292.db2.gz JYQPUCBVBUNJOK-GDBMZVCRSA-N 0 3 408.462 1.779 20 0 HDADHN CN(C)c1nc(-c2ccccc2)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740502 720721632 /nfs/dbraw/zinc/72/16/32/720721632.db2.gz QQHVXWFRCPPFDS-ZWKOTPCHSA-N 0 3 418.505 1.737 20 0 HDADHN CN(C)c1nc(-c2ccccc2)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740495 720722099 /nfs/dbraw/zinc/72/20/99/720722099.db2.gz QQHVXWFRCPPFDS-MSOLQXFVSA-N 0 3 418.505 1.737 20 0 HDADHN O=c1ccccn1Cc1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164737174 720770597 /nfs/dbraw/zinc/77/05/97/720770597.db2.gz AJETZLHWFADKPD-MOPGFXCFSA-N 0 3 404.474 1.424 20 0 HDADHN O=c1ccccn1Cc1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164737175 720771564 /nfs/dbraw/zinc/77/15/64/720771564.db2.gz AJETZLHWFADKPD-OALUTQOASA-N 0 3 404.474 1.424 20 0 HDADHN c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(CN5CCOCC5)cn4)CCN3C2)c1 ZINC001164867980 721051683 /nfs/dbraw/zinc/05/16/83/721051683.db2.gz LPJWOBLYAXYPKB-VXKWHMMOSA-N 0 3 409.534 1.789 20 0 HDADHN CN1CCOc2c(Cl)nnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c21 ZINC001164872217 721129961 /nfs/dbraw/zinc/12/99/61/721129961.db2.gz GYEFNIKBJQAPHU-HOTGVXAUSA-N 0 3 416.913 1.833 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164876538 721140134 /nfs/dbraw/zinc/14/01/34/721140134.db2.gz NBEPHDWQZBVTPB-ROUUACIJSA-N 0 3 417.535 1.207 20 0 HDADHN COC(=O)c1nc(Cl)cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164880667 721167176 /nfs/dbraw/zinc/16/71/76/721167176.db2.gz WVFLZYDNJFVJMG-GJZGRUSLSA-N 0 3 403.870 1.791 20 0 HDADHN CCNC(=O)c1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867460 721194915 /nfs/dbraw/zinc/19/49/15/721194915.db2.gz GHKJTQPFWLYJMM-HZPDHXFCSA-N 0 3 416.913 1.754 20 0 HDADHN CC(C)NS(=O)(=O)c1ccc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)nc1 ZINC001164764054 721196535 /nfs/dbraw/zinc/19/65/35/721196535.db2.gz GCXAWGJJEYMPLE-QZTJIDSGSA-N 0 3 418.567 1.460 20 0 HDADHN CNC(=O)[C@]12CN(c3ccc(CN(C)C4CC4)cn3)C[C@H]1N(c1ncccn1)CCC2 ZINC001164871360 721207994 /nfs/dbraw/zinc/20/79/94/721207994.db2.gz YRGFRVJSWRKVNN-AUSIDOKSSA-N 0 3 421.549 1.687 20 0 HDADHN O=C(NCc1cnc2n1CCN(c1ccc(CN3CCCC3)cn1)C2)c1ccno1 ZINC001164767043 721269265 /nfs/dbraw/zinc/26/92/65/721269265.db2.gz QKXKUSDFEYVQIJ-UHFFFAOYSA-N 0 3 407.478 1.812 20 0 HDADHN CCc1cc(N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)nc(N2CCOCC2)n1 ZINC001164783446 721418947 /nfs/dbraw/zinc/41/89/47/721418947.db2.gz IQEAXEJFNSRRDK-HZPDHXFCSA-N 0 3 400.552 1.900 20 0 HDADHN Cc1nc(-n2cncn2)cc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164894931 721444743 /nfs/dbraw/zinc/44/47/43/721444743.db2.gz NLBBTSLLITZPDP-WIYYLYMNSA-N 0 3 412.542 1.131 20 0 HDADHN CN(Cc1cccnc1)[C@H]1CN(c2ccc(N3CCN(C)CC3)nn2)[C@@H]2CCCO[C@@H]21 ZINC001164801323 721529643 /nfs/dbraw/zinc/52/96/43/721529643.db2.gz DXJVDYGSFKGSGU-QTEQDKRBSA-N 0 3 423.565 1.492 20 0 HDADHN C[C@@H]1C(=O)Nc2cnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2N1C ZINC001164907132 721536324 /nfs/dbraw/zinc/53/63/24/721536324.db2.gz MFPLIPYHNLSPRD-UNEWFSDZSA-N 0 3 412.469 1.734 20 0 HDADHN Cn1cc(C(=O)N[C@@H]2CN(c3ncccc3CN3CCCC3)[C@H]3CCCO[C@@H]23)cn1 ZINC001165013510 721758314 /nfs/dbraw/zinc/75/83/14/721758314.db2.gz MZYQNGWAJNNPRZ-AABGKKOBSA-N 0 3 410.522 1.577 20 0 HDADHN c1csc(CN2C[C@H]3CC[C@@H](C2)N3c2nc3c(c(N4CCOCC4)n2)CNC3)c1 ZINC001164938089 721913588 /nfs/dbraw/zinc/91/35/88/721913588.db2.gz WEMFZCLLXQRQDS-IYBDPMFKSA-N 0 3 412.563 1.831 20 0 HDADHN Cc1nc(-n2cncn2)cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164963302 722061341 /nfs/dbraw/zinc/06/13/41/722061341.db2.gz WFKUNVQHDVCOIX-UHFFFAOYSA-N 0 3 420.521 1.880 20 0 HDADHN CON(C)C(=O)c1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978934 722148670 /nfs/dbraw/zinc/14/86/70/722148670.db2.gz LCDQANCKPPHASV-PMACEKPBSA-N 0 3 411.506 1.837 20 0 HDADHN NC(=O)c1ccnc(Cl)c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972211 722152680 /nfs/dbraw/zinc/15/26/80/722152680.db2.gz GXOHXJZHALETCA-WBVHZDCISA-N 0 3 401.898 1.956 20 0 HDADHN O=C1CSc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2N1 ZINC001164972094 722156518 /nfs/dbraw/zinc/15/65/18/722156518.db2.gz FKZPPNCNGPTPLM-HZPDHXFCSA-N 0 3 412.519 1.643 20 0 HDADHN CN(Cc1ccc(N2C[C@H]3CN(C(=O)c4cccn4C)CCO[C@@H]3C2)nc1)C1CC1 ZINC001165003354 722244551 /nfs/dbraw/zinc/24/45/51/722244551.db2.gz KDRRARPYVVLSNE-WIYYLYMNSA-N 0 3 409.534 1.992 20 0 HDADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000429047559 1073467684 /nfs/dbraw/zinc/46/76/84/1073467684.db2.gz XKEQEDLZMNUOMD-RTWAWAEBSA-N 0 3 412.538 1.991 20 0 HDADHN CNC(=O)Cn1cc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cn1 ZINC000429053903 1073476766 /nfs/dbraw/zinc/47/67/66/1073476766.db2.gz OHQAQGIJVKGXGH-SFHVURJKSA-N 0 3 400.483 1.042 20 0 HDADHN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)[C@H]1CCCCN1Cc1ccccc1 ZINC000673672473 1073626904 /nfs/dbraw/zinc/62/69/04/1073626904.db2.gz ICOQYMUFYQWJDW-FCHUYYIVSA-N 0 3 400.567 1.564 20 0 HDADHN COC[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000673674965 1073631471 /nfs/dbraw/zinc/63/14/71/1073631471.db2.gz JYQSCHDYXBKLID-ZBFHGGJFSA-N 0 3 401.429 1.919 20 0 HDADHN Cc1ccc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1S(N)(=O)=O ZINC000673684432 1073639034 /nfs/dbraw/zinc/63/90/34/1073639034.db2.gz QZBRRQDBCSOFGT-HXUWFJFHSA-N 0 3 403.504 1.009 20 0 HDADHN Cc1cccc(N2CCN(CCC(=O)N[C@H]3C[C@H](C)N(c4cnn(C)c4)C3=O)CC2)c1 ZINC000673684795 1073640271 /nfs/dbraw/zinc/64/02/71/1073640271.db2.gz JSABLUSDAHAHKM-RXVVDRJESA-N 0 3 424.549 1.551 20 0 HDADHN C[C@@H](NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)CCC2 ZINC001168741423 1073667220 /nfs/dbraw/zinc/66/72/20/1073667220.db2.gz JDXFUAPJFVHBEN-OAHLLOKOSA-N 0 3 401.532 1.832 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000673755841 1073691306 /nfs/dbraw/zinc/69/13/06/1073691306.db2.gz VUVNNKHMZIDJLH-FQEVSTJZSA-N 0 3 408.550 1.722 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000673771928 1073705015 /nfs/dbraw/zinc/70/50/15/1073705015.db2.gz PFCRSRSLUGUALX-HKUYNNGSSA-N 0 3 408.568 1.716 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000673773672 1073705590 /nfs/dbraw/zinc/70/55/90/1073705590.db2.gz UTBYHLUGHMIVNU-GOSISDBHSA-N 0 3 422.595 1.964 20 0 HDADHN CCN1CCN(CCNC(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)CC1 ZINC000509143049 1073733003 /nfs/dbraw/zinc/73/30/03/1073733003.db2.gz LDYKVZZBCWLBGT-UHFFFAOYSA-N 0 3 411.550 1.911 20 0 HDADHN CC(C)NS(=O)(=O)NCCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000429137392 1073749575 /nfs/dbraw/zinc/74/95/75/1073749575.db2.gz TUIBASMCTCVVDF-UHFFFAOYSA-N 0 3 411.572 1.125 20 0 HDADHN C[C@H](NC[C@H](c1cccs1)N1CCOCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000216380301 1073793179 /nfs/dbraw/zinc/79/31/79/1073793179.db2.gz WRXUQGLEHNPQMD-WMLDXEAASA-N 0 3 402.520 1.837 20 0 HDADHN COc1ccccc1C[C@@H](N[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)C ZINC000543490063 1073796921 /nfs/dbraw/zinc/79/69/21/1073796921.db2.gz AXFBUEQTLCKJOA-UKRRQHHQSA-N 0 3 402.495 1.103 20 0 HDADHN CC(C)(C)OC(=O)NC[C@@H]1CCCN(CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000140768638 1073797966 /nfs/dbraw/zinc/79/79/66/1073797966.db2.gz WZHJSVAEZHFWIU-HNNXBMFYSA-N 0 3 413.540 1.950 20 0 HDADHN CC(C)OCCN1CCC(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)CC1 ZINC000673845673 1073820048 /nfs/dbraw/zinc/82/00/48/1073820048.db2.gz ZRSVCTBSKMLXEA-UHFFFAOYSA-N 0 3 411.568 1.398 20 0 HDADHN CCOC(=O)c1c(C)c(C)sc1NC(=O)CN[C@H](CC(N)=O)C1CCOCC1 ZINC000543492401 1073821634 /nfs/dbraw/zinc/82/16/34/1073821634.db2.gz VYXLSKLTGJHEEJ-CQSZACIVSA-N 0 3 411.524 1.740 20 0 HDADHN COc1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1[N-]S(C)(=O)=O ZINC000673860836 1073828912 /nfs/dbraw/zinc/82/89/12/1073828912.db2.gz YNGIOCUGQVFPFQ-HOTGVXAUSA-N 0 3 412.512 1.130 20 0 HDADHN CC(C)OCCN1CCC(NC(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000673879575 1073850610 /nfs/dbraw/zinc/85/06/10/1073850610.db2.gz ABSMDRRDXZRHLB-CRAIPNDOSA-N 0 3 406.531 1.103 20 0 HDADHN CON(C)C(=O)c1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000766040618 1073854022 /nfs/dbraw/zinc/85/40/22/1073854022.db2.gz GTYZEOKHXOSYEU-QGZVFWFLSA-N 0 3 403.483 1.090 20 0 HDADHN Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000673883555 1073854426 /nfs/dbraw/zinc/85/44/26/1073854426.db2.gz KWQHPRXGQXQGKE-OAQYLSRUSA-N 0 3 414.550 1.992 20 0 HDADHN CN(C)c1nc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cs1 ZINC000673882197 1073854674 /nfs/dbraw/zinc/85/46/74/1073854674.db2.gz YAKPYAUCMZUSEY-SJLPKXTDSA-N 0 3 403.552 1.891 20 0 HDADHN COc1cc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc(Br)c1[O-] ZINC000673930023 1073903083 /nfs/dbraw/zinc/90/30/83/1073903083.db2.gz DXKJGGQQTOZDNE-APPDUMDISA-N 0 3 412.284 1.973 20 0 HDADHN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000509186712 1074001561 /nfs/dbraw/zinc/00/15/61/1074001561.db2.gz NNEMSECZMWGPOC-HNNXBMFYSA-N 0 3 419.469 1.941 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCCC[C@H]1C ZINC000543533355 1074029129 /nfs/dbraw/zinc/02/91/29/1074029129.db2.gz UBJWUWHHCLRYGK-CABCVRRESA-N 0 3 422.551 1.445 20 0 HDADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)CCSC1 ZINC000674039602 1074111872 /nfs/dbraw/zinc/11/18/72/1074111872.db2.gz DEAXAMQTUHPZGD-FQEVSTJZSA-N 0 3 404.536 1.301 20 0 HDADHN CN1CCC(N(Cc2ccccc2)C(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000674158884 1074195012 /nfs/dbraw/zinc/19/50/12/1074195012.db2.gz RJRYBSGZYDROEI-UHFFFAOYSA-N 0 3 408.568 1.718 20 0 HDADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@H](c4cc[nH]n4)C3)cc2)CC1 ZINC000674198047 1074211999 /nfs/dbraw/zinc/21/19/99/1074211999.db2.gz ISVOEHCWHMUMHP-IBGZPJMESA-N 0 3 424.549 1.892 20 0 HDADHN O=C(Nc1cnc(C2CC2)nc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000674217746 1074230002 /nfs/dbraw/zinc/23/00/02/1074230002.db2.gz HEOQPSSEGRVVEW-MJGOQNOKSA-N 0 3 409.490 1.292 20 0 HDADHN CC[C@@H](C)N(C)CCn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001545674890 1074232007 /nfs/dbraw/zinc/23/20/07/1074232007.db2.gz MYXXCGAPSUXWGB-AEFFLSMTSA-N 0 3 420.583 1.618 20 0 HDADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCN(CC)C2)c1 ZINC000509223100 1074251497 /nfs/dbraw/zinc/25/14/97/1074251497.db2.gz JHSQRYPFRJLIAS-INIZCTEOSA-N 0 3 417.597 1.727 20 0 HDADHN COC1CCN(CCNC(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CC1 ZINC000674315712 1074265612 /nfs/dbraw/zinc/26/56/12/1074265612.db2.gz DGCVQDUIQRGKKO-UHFFFAOYSA-N 0 3 424.505 1.777 20 0 HDADHN COC1CCN(CCNC(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)CC1 ZINC000674316802 1074265877 /nfs/dbraw/zinc/26/58/77/1074265877.db2.gz LAPLBKBNMZIZAY-UHFFFAOYSA-N 0 3 404.511 1.700 20 0 HDADHN COC1CCN(CCNC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000674310692 1074268417 /nfs/dbraw/zinc/26/84/17/1074268417.db2.gz IVZYDUUVSMXECY-BTYIYWSLSA-N 0 3 408.543 1.350 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC1 ZINC000674310691 1074268514 /nfs/dbraw/zinc/26/85/14/1074268514.db2.gz MLONPDYQORWJGK-INIZCTEOSA-N 0 3 415.581 1.437 20 0 HDADHN COC1CCN(CCNC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000674310699 1074268577 /nfs/dbraw/zinc/26/85/77/1074268577.db2.gz IVZYDUUVSMXECY-YCRPNKLZSA-N 0 3 408.543 1.350 20 0 HDADHN COC1CCN(CCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000674323543 1074273316 /nfs/dbraw/zinc/27/33/16/1074273316.db2.gz FSAYOSFEMPCLBJ-IBGZPJMESA-N 0 3 423.579 1.455 20 0 HDADHN COc1cc(C(=O)NCC(=O)NCCN2CCC(OC)CC2)ccc1OC(F)F ZINC000674325847 1074275336 /nfs/dbraw/zinc/27/53/36/1074275336.db2.gz KQSMRMNQHHGYDG-UHFFFAOYSA-N 0 3 415.437 1.253 20 0 HDADHN COC1CCN(CCNC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000674325440 1074275890 /nfs/dbraw/zinc/27/58/90/1074275890.db2.gz QMNWFASAXGRWRC-UHFFFAOYSA-N 0 3 423.311 1.386 20 0 HDADHN COC1CCN(CCNC(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)CC1 ZINC000674326912 1074276346 /nfs/dbraw/zinc/27/63/46/1074276346.db2.gz HHHKOMYDLJWQAW-FQEVSTJZSA-N 0 3 408.518 1.609 20 0 HDADHN COC1CCN(CCNC(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)CC1 ZINC000674328087 1074276906 /nfs/dbraw/zinc/27/69/06/1074276906.db2.gz HBUYOHHBARTUIY-LJQANCHMSA-N 0 3 403.571 1.607 20 0 HDADHN COc1cc(OC)cc(N2CC[C@H](NC(=O)NCCN3CCC(OC)CC3)C2)c1 ZINC000674330874 1074285875 /nfs/dbraw/zinc/28/58/75/1074285875.db2.gz ALKSBPISDVXWRR-INIZCTEOSA-N 0 3 406.527 1.693 20 0 HDADHN O=C(NCC1(CN2CCOCC2)CCCCC1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000674404446 1074315770 /nfs/dbraw/zinc/31/57/70/1074315770.db2.gz PGXRURSFFKGGEV-VQTJNVASSA-N 0 3 408.587 1.510 20 0 HDADHN CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCCCN2CCc3ccccc3C2)C1=O ZINC000674425296 1074327165 /nfs/dbraw/zinc/32/71/65/1074327165.db2.gz YVQMHOCGJAIHTD-XMSQKQJNSA-N 0 3 413.522 1.455 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1=O ZINC000674427691 1074331055 /nfs/dbraw/zinc/33/10/55/1074331055.db2.gz QWZZPYVPVOOCMM-FGSXEWAUSA-N 0 3 413.522 1.671 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1=O ZINC000674437909 1074335485 /nfs/dbraw/zinc/33/54/85/1074335485.db2.gz FKPMTGJBOVXVLR-AVRDEDQJSA-N 0 3 413.522 1.624 20 0 HDADHN CC1CCC(N2CCN(C(=O)NC[C@H]3CCC[C@]34NC(=O)N(C)C4=O)CC2)CC1 ZINC000674441933 1074354864 /nfs/dbraw/zinc/35/48/64/1074354864.db2.gz XSAGXQPGHGDMCV-LIFAGWGASA-N 0 3 405.543 1.613 20 0 HDADHN Cc1ccc(NC(=O)CN[C@H]2Cc3cccc(O)c3C2)cc1S(=O)(=O)N(C)C ZINC000429229817 1074383770 /nfs/dbraw/zinc/38/37/70/1074383770.db2.gz IPKGWEWWMBCWPL-INIZCTEOSA-N 0 3 403.504 1.646 20 0 HDADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000674639149 1074499203 /nfs/dbraw/zinc/49/92/03/1074499203.db2.gz PCFKLFUSOSQXAJ-IERDGZPVSA-N 0 3 419.501 1.619 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1=O ZINC000674641266 1074500551 /nfs/dbraw/zinc/50/05/51/1074500551.db2.gz GYKJZMGNLSOYIX-VFNWGFHPSA-N 0 3 417.510 1.606 20 0 HDADHN C[C@H](C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674670571 1074520226 /nfs/dbraw/zinc/52/02/26/1074520226.db2.gz XEZSUMYWMGJFRH-KBXCAEBGSA-N 0 3 407.536 1.134 20 0 HDADHN COc1ccc(-n2cc(CNC(=O)N(CCN(C)C)C[C@H]3CCCO3)nn2)cc1 ZINC000674874793 1074594463 /nfs/dbraw/zinc/59/44/63/1074594463.db2.gz ZKEOMSXTPHGMBW-LJQANCHMSA-N 0 3 402.499 1.528 20 0 HDADHN CCC(=O)N1CCC(NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000674909691 1074615237 /nfs/dbraw/zinc/61/52/37/1074615237.db2.gz RVQMCBQNJWGLCQ-UHFFFAOYSA-N 0 3 401.554 1.260 20 0 HDADHN Cc1c(C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000674948378 1074634743 /nfs/dbraw/zinc/63/47/43/1074634743.db2.gz TZBSFHGGHQXJMD-PMACEKPBSA-N 0 3 411.506 1.584 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCC(OCCCO)CC2)CC1 ZINC000674972869 1074655895 /nfs/dbraw/zinc/65/58/95/1074655895.db2.gz XALVNICMUQCFED-UHFFFAOYSA-N 0 3 418.582 1.897 20 0 HDADHN CC[C@H](CNC(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)N1CCc2ccccc2C1 ZINC000675088035 1074711232 /nfs/dbraw/zinc/71/12/32/1074711232.db2.gz VWFZZSUBPAZJOU-RTBURBONSA-N 0 3 413.522 1.501 20 0 HDADHN CC[C@H](CNC(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)N1CCc2ccccc2C1 ZINC000675088032 1074711258 /nfs/dbraw/zinc/71/12/58/1074711258.db2.gz VWFZZSUBPAZJOU-MOPGFXCFSA-N 0 3 413.522 1.501 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2CCc3n[nH]nc3C2)c1 ZINC000429314137 1074712328 /nfs/dbraw/zinc/71/23/28/1074712328.db2.gz CPQUCJPIVCMJCV-UHFFFAOYSA-N 0 3 412.903 1.095 20 0 HDADHN COCCNC(=O)C1CCN(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000675112713 1074717772 /nfs/dbraw/zinc/71/77/72/1074717772.db2.gz SLOZODRAYHMGDI-XLIONFOSSA-N 0 3 402.539 1.834 20 0 HDADHN Cc1cc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)nn1C1CCCCC1 ZINC000578823119 1074774622 /nfs/dbraw/zinc/77/46/22/1074774622.db2.gz ICJNVIXNJGUHAF-MRXNPFEDSA-N 0 3 404.559 1.777 20 0 HDADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675304972 1074793462 /nfs/dbraw/zinc/79/34/62/1074793462.db2.gz VVFYOUOIUOROEH-WBVHZDCISA-N 0 3 404.898 1.162 20 0 HDADHN CN(CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ncnc2nc[nH]c21 ZINC000429341651 1075122648 /nfs/dbraw/zinc/12/26/48/1075122648.db2.gz QETDPZZYIPHQGM-QGZVFWFLSA-N 0 3 409.494 1.196 20 0 HDADHN O=C(CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000509334487 1075136575 /nfs/dbraw/zinc/13/65/75/1075136575.db2.gz LJYDXFQKDKJHKS-LJQANCHMSA-N 0 3 413.440 1.806 20 0 HDADHN O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000675433369 1075142716 /nfs/dbraw/zinc/14/27/16/1075142716.db2.gz NKFUQLXMVDYVJI-SUMWQHHRSA-N 0 3 422.888 1.301 20 0 HDADHN O=C(Nc1ccn(-c2ccccc2)n1)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000437017670 1075157262 /nfs/dbraw/zinc/15/72/62/1075157262.db2.gz ZFBGWPPFGCKLDK-UHFFFAOYSA-N 0 3 419.485 2.406 20 0 HDADHN O=C(NCCn1c(=O)[nH]c2ccccc21)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000429348410 1075160018 /nfs/dbraw/zinc/16/00/18/1075160018.db2.gz JSSMICQWHFHXCV-RTBURBONSA-N 0 3 423.517 1.924 20 0 HDADHN CCN1CCC[C@@H](CN(C)Cc2nnnn2CC(F)(F)F)[C@@H]1c1cnn(C)c1 ZINC000429349575 1075162808 /nfs/dbraw/zinc/16/28/08/1075162808.db2.gz NOKUILDTZOJFJD-XJKSGUPXSA-N 0 3 400.453 1.874 20 0 HDADHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c2ccccc2O1 ZINC000675469076 1075163669 /nfs/dbraw/zinc/16/36/69/1075163669.db2.gz CPYYAXAJDSCDRI-OAHLLOKOSA-N 0 3 401.488 1.490 20 0 HDADHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c2ccccc2O1 ZINC000675472225 1075167548 /nfs/dbraw/zinc/16/75/48/1075167548.db2.gz MPODPJZQVOGBMK-MRXNPFEDSA-N 0 3 424.544 1.749 20 0 HDADHN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000675491257 1075175166 /nfs/dbraw/zinc/17/51/66/1075175166.db2.gz HHOLWVWHLKCBPL-AWEZNQCLSA-N 0 3 407.492 1.808 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000675491434 1075175588 /nfs/dbraw/zinc/17/55/88/1075175588.db2.gz MIGXRRRGCQUXJS-INIZCTEOSA-N 0 3 403.504 1.663 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)c2ccccc2O1 ZINC000675491572 1075176292 /nfs/dbraw/zinc/17/62/92/1075176292.db2.gz RKSUNYLXOJTMNA-KRWDZBQOSA-N 0 3 408.458 1.708 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)CNC(=O)NCc2ccc(F)cc2)c2ccccc2O1 ZINC000675511657 1075191083 /nfs/dbraw/zinc/19/10/83/1075191083.db2.gz QJDZTXBOOUVHDN-KRWDZBQOSA-N 0 3 400.454 1.981 20 0 HDADHN Cc1oc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000675538281 1075195042 /nfs/dbraw/zinc/19/50/42/1075195042.db2.gz SGKMQEQPOHLCAE-MRXNPFEDSA-N 0 3 411.524 1.356 20 0 HDADHN COCCc1ccc(OC[C@@H](O)CN2CCC(C(=O)Nc3cc(C)on3)CC2)cc1 ZINC000549899525 1075198193 /nfs/dbraw/zinc/19/81/93/1075198193.db2.gz SKOJXTGBFKBURX-IBGZPJMESA-N 0 3 417.506 2.262 20 0 HDADHN CN1CCN(c2ncc(CN[C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)cn2)CC1 ZINC000675552498 1075207366 /nfs/dbraw/zinc/20/73/66/1075207366.db2.gz GEDNCYHAJIVBKQ-ROUUACIJSA-N 0 3 409.456 1.853 20 0 HDADHN CN(C(=O)NCc1cc(S(N)(=O)=O)ccc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000675576401 1075210028 /nfs/dbraw/zinc/21/00/28/1075210028.db2.gz KYOOOPNZRIAUFO-QGZVFWFLSA-N 0 3 420.510 1.889 20 0 HDADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675582242 1075212593 /nfs/dbraw/zinc/21/25/93/1075212593.db2.gz SMDPWMVEEZGVKC-REWPJTCUSA-N 0 3 414.550 1.714 20 0 HDADHN Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)no1 ZINC000531583175 1075222562 /nfs/dbraw/zinc/22/25/62/1075222562.db2.gz HVTMPLLKHUVGRE-DLBZAZTESA-N 0 3 423.583 1.670 20 0 HDADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000550816077 1075229676 /nfs/dbraw/zinc/22/96/76/1075229676.db2.gz UEDXHOXSKFEWEO-HNNXBMFYSA-N 0 3 420.311 2.174 20 0 HDADHN O=C(Nc1ncn(C2CCCCC2)n1)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000463965599 1075231094 /nfs/dbraw/zinc/23/10/94/1075231094.db2.gz RJSOKQYWGWSMJB-GOSISDBHSA-N 0 3 412.494 1.927 20 0 HDADHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c1 ZINC000675592603 1075231205 /nfs/dbraw/zinc/23/12/05/1075231205.db2.gz MBDOEXMIMLTGBE-FQEVSTJZSA-N 0 3 413.522 1.899 20 0 HDADHN O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000531377164 1075232428 /nfs/dbraw/zinc/23/24/28/1075232428.db2.gz QIGQIBULEJXEET-MRXNPFEDSA-N 0 3 402.886 1.615 20 0 HDADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1 ZINC000675595216 1075232739 /nfs/dbraw/zinc/23/27/39/1075232739.db2.gz KLPGOADGSUNPEH-UXHICEINSA-N 0 3 411.506 1.734 20 0 HDADHN CN1CCN(CCCNC(=O)N2CCN3CCOC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000543640958 1075242452 /nfs/dbraw/zinc/24/24/52/1075242452.db2.gz CCOHJFBYBSFVBS-SFTDATJTSA-N 0 3 401.555 1.091 20 0 HDADHN CN1CCN(CCCNC(=O)N2CCN3CCOC[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000543640948 1075242519 /nfs/dbraw/zinc/24/25/19/1075242519.db2.gz CCOHJFBYBSFVBS-NHCUHLMSSA-N 0 3 401.555 1.091 20 0 HDADHN Cc1c([C@@H](C)N[C@H]2CCN(CCN3CCOCC3)C2)nnn1-c1ccc(F)cc1 ZINC000675885457 1075289196 /nfs/dbraw/zinc/28/91/96/1075289196.db2.gz BDKADIQWHHMCGU-APWZRJJASA-N 0 3 402.518 1.772 20 0 HDADHN COC(=O)c1cnoc1CN1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000509373187 1075289755 /nfs/dbraw/zinc/28/97/55/1075289755.db2.gz OIAJOFSDQHTOAE-UHFFFAOYSA-N 0 3 414.506 1.921 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1 ZINC000675917755 1075291163 /nfs/dbraw/zinc/29/11/63/1075291163.db2.gz CPLILOUHVJMUIU-QGZVFWFLSA-N 0 3 418.925 1.845 20 0 HDADHN Cc1ccc(Nc2cccc(C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)c2)nn1 ZINC000484116214 1075314722 /nfs/dbraw/zinc/31/47/22/1075314722.db2.gz PKTWEOFKLUBGNI-IBGZPJMESA-N 0 3 408.506 1.907 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)CC1 ZINC000429385213 1075317235 /nfs/dbraw/zinc/31/72/35/1075317235.db2.gz HJPJGLBYOJADFC-HGRMPGJJSA-N 0 3 400.589 1.262 20 0 HDADHN Cc1c(C(=O)N2CCS[C@@H]3COCC[C@@H]32)nnn1-c1cccc2c1CCN(C)C2 ZINC000676072615 1075342920 /nfs/dbraw/zinc/34/29/20/1075342920.db2.gz NFTFUZBDKVTPEG-RBUKOAKNSA-N 0 3 413.547 1.910 20 0 HDADHN CCN1CCN(c2ccc(C(=O)N3CC[C@@H](C(=O)OC)C[C@H]3C(=O)OC)cc2)CC1 ZINC000509381678 1075355283 /nfs/dbraw/zinc/35/52/83/1075355283.db2.gz WZKPGBPPLOTUBT-MJGOQNOKSA-N 0 3 417.506 1.395 20 0 HDADHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)C1 ZINC000731466905 1075357765 /nfs/dbraw/zinc/35/77/65/1075357765.db2.gz DPQNERLVBBAQOT-LJQANCHMSA-N 0 3 401.532 1.911 20 0 HDADHN C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1=CCN(C)CC1 ZINC000804093108 1075393937 /nfs/dbraw/zinc/39/39/37/1075393937.db2.gz XFCWSSIDKVPZRO-UAGQMJEPSA-N 0 3 408.543 1.705 20 0 HDADHN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000446801933 1075419133 /nfs/dbraw/zinc/41/91/33/1075419133.db2.gz CTKGECPMYHVUFM-UHFFFAOYSA-N 0 3 414.441 1.837 20 0 HDADHN C[C@]1(n2cc(CN[C@@H](CO)Cc3c[nH]c4ccccc34)cn2)CCS(=O)(=O)C1 ZINC000676199566 1075434559 /nfs/dbraw/zinc/43/45/59/1075434559.db2.gz ILVATBNHFWKHNL-XLIONFOSSA-N 0 3 402.520 1.591 20 0 HDADHN CC[C@@H](C)n1nc(NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)cc1C ZINC000537279438 1075441175 /nfs/dbraw/zinc/44/11/75/1075441175.db2.gz QHNQMCMKTACALH-AEFFLSMTSA-N 0 3 404.559 1.728 20 0 HDADHN C[C@H](NC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)[C@@H]1CN(C)CCO1 ZINC000676243789 1075445270 /nfs/dbraw/zinc/44/52/70/1075445270.db2.gz XUEYWNNGXSVETF-TYPHKJRUSA-N 0 3 403.571 1.384 20 0 HDADHN C[C@@H](NC(=O)NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1CN(C)CCO1 ZINC000676243381 1075445895 /nfs/dbraw/zinc/44/58/95/1075445895.db2.gz LQNQVIXIXMUXOF-CTNGQTDRSA-N 0 3 403.571 1.607 20 0 HDADHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCc1nc(-c2cccc(F)c2)no1 ZINC000676231355 1075449407 /nfs/dbraw/zinc/44/94/07/1075449407.db2.gz FEGNYTCACBOOAI-ZIAGYGMSSA-N 0 3 403.458 1.871 20 0 HDADHN CC(C)c1nnc(NC(=O)CCC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)s1 ZINC000676300447 1075501515 /nfs/dbraw/zinc/50/15/15/1075501515.db2.gz BACSJWLVUVXZTM-AWEZNQCLSA-N 0 3 422.555 1.321 20 0 HDADHN COCCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)c1 ZINC000509404937 1075505515 /nfs/dbraw/zinc/50/55/15/1075505515.db2.gz CGQFYYXNSHQHJK-GOSISDBHSA-N 0 3 409.552 1.702 20 0 HDADHN CCNS(=O)(=O)CCNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000731757775 1075513513 /nfs/dbraw/zinc/51/35/13/1075513513.db2.gz IVJKGKUFUKEMPH-UHFFFAOYSA-N 0 3 404.577 1.039 20 0 HDADHN CCN1C(=O)N=NC1C1CCN(C[C@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000676342040 1075514710 /nfs/dbraw/zinc/51/47/10/1075514710.db2.gz GPHGELVODBNYOA-KRWDZBQOSA-N 0 3 403.483 1.581 20 0 HDADHN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676343675 1075517058 /nfs/dbraw/zinc/51/70/58/1075517058.db2.gz VDQKPYPGPZHXJY-MRXNPFEDSA-N 0 3 415.943 1.378 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000676344619 1075518288 /nfs/dbraw/zinc/51/82/88/1075518288.db2.gz PXEVCHQMPFUGSN-LJQANCHMSA-N 0 3 421.563 1.844 20 0 HDADHN O=C(CCC(=O)N1CCN(c2ccccc2)CC1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676344859 1075518337 /nfs/dbraw/zinc/51/83/37/1075518337.db2.gz JVVRMBPKXDOAKA-OAQYLSRUSA-N 0 3 414.550 1.485 20 0 HDADHN O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCN([C@@H]2CCOC2)CC1)c1cccnc1 ZINC000676345936 1075519112 /nfs/dbraw/zinc/51/91/12/1075519112.db2.gz XZQYJTXZTOLGGR-YADHBBJMSA-N 0 3 422.529 1.792 20 0 HDADHN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NC3CCN([C@@H]4CCOC4)CC3)cc12 ZINC000676345625 1075519524 /nfs/dbraw/zinc/51/95/24/1075519524.db2.gz VPLYNSWUKBUSSV-DZGCQCFKSA-N 0 3 419.551 1.431 20 0 HDADHN CCc1ccc([C@H](CNC(=O)Nc2ccn(CCN3CCOCC3)n2)N(C)C)cc1 ZINC000438321410 1075524140 /nfs/dbraw/zinc/52/41/40/1075524140.db2.gz MCEWVDQAIQFMFD-FQEVSTJZSA-N 0 3 414.554 2.202 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H](O)Cc3ccccc3)c(C)c2)CC1 ZINC000509413907 1075553610 /nfs/dbraw/zinc/55/36/10/1075553610.db2.gz DFYDBCLEVREZMQ-OAQYLSRUSA-N 0 3 424.545 1.795 20 0 HDADHN C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2nnc3ccccc3c2[O-])CC1 ZINC000731870785 1075559932 /nfs/dbraw/zinc/55/99/32/1075559932.db2.gz XAKKIAKKTSXLGJ-UHFFFAOYSA-N 0 3 413.522 1.892 20 0 HDADHN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000504531067 1075569714 /nfs/dbraw/zinc/56/97/14/1075569714.db2.gz AOMXHXKPCDBQPX-RBUKOAKNSA-N 0 3 417.579 1.364 20 0 HDADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)C1 ZINC000676551007 1075584439 /nfs/dbraw/zinc/58/44/39/1075584439.db2.gz GQOWGELSXSOHSO-NRFANRHFSA-N 0 3 418.501 1.998 20 0 HDADHN COCCN(C)CCNC(=O)NC(C)(C)COc1ncccc1Br ZINC000543679675 1075597030 /nfs/dbraw/zinc/59/70/30/1075597030.db2.gz BLXZQNMFNTZSEU-UHFFFAOYSA-N 0 3 403.321 1.879 20 0 HDADHN CN(C)C1(CNS(=O)(=O)c2cc(Br)cc3c2OCC3)CCOCC1 ZINC000543679353 1075598695 /nfs/dbraw/zinc/59/86/95/1075598695.db2.gz HHQJDBRQQNYTSI-UHFFFAOYSA-N 0 3 419.341 1.773 20 0 HDADHN CC(C)(C)N1C[C@H](NC(=O)NCc2ccccc2CN2CCC(O)CC2)CC1=O ZINC000429447967 1075602012 /nfs/dbraw/zinc/60/20/12/1075602012.db2.gz SPLXQSFERBFOPV-GOSISDBHSA-N 0 3 402.539 1.842 20 0 HDADHN CCN(CC)CC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 ZINC000599882062 1075618457 /nfs/dbraw/zinc/61/84/57/1075618457.db2.gz IWDCKVZZAMRYSZ-UHFFFAOYSA-N 0 3 402.499 1.220 20 0 HDADHN COc1ccc([C@@H](CNC(=O)CSc2nc(N)cc(N)n2)N2CCCCC2)cc1 ZINC000551036944 1075628051 /nfs/dbraw/zinc/62/80/51/1075628051.db2.gz DHEYCBIOHBXOHD-MRXNPFEDSA-N 0 3 416.551 2.085 20 0 HDADHN CN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000732167005 1075644064 /nfs/dbraw/zinc/64/40/64/1075644064.db2.gz UMOCOKGNYBAUHK-ROUUACIJSA-N 0 3 402.495 1.242 20 0 HDADHN CS(=O)(=O)N1CCN(c2ccc(NC(=O)[C@H]3CCCN3C3CCCC3)cn2)CC1 ZINC000676699024 1075650914 /nfs/dbraw/zinc/65/09/14/1075650914.db2.gz ZDZUGTUHTASSGC-GOSISDBHSA-N 0 3 421.567 1.509 20 0 HDADHN CCc1ccc([C@H](CNC(=O)N2CCN(c3nc(N)ns3)CC2)N(C)C)cc1 ZINC000426262708 1075682793 /nfs/dbraw/zinc/68/27/93/1075682793.db2.gz YFRKPJAJTQNMRM-INIZCTEOSA-N 0 3 403.556 1.817 20 0 HDADHN CC(C)(C)OC(=O)N1CCC[C@H]1CNCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000732232194 1075685193 /nfs/dbraw/zinc/68/51/93/1075685193.db2.gz FNKYLWCOXFDVKR-HOTGVXAUSA-N 0 3 405.561 1.464 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1cc(-c2cccc(F)c2)on1 ZINC000448095283 1075715182 /nfs/dbraw/zinc/71/51/82/1075715182.db2.gz VFJLNBADNWEANV-MRXNPFEDSA-N 0 3 403.458 2.545 20 0 HDADHN C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000732459070 1075749642 /nfs/dbraw/zinc/74/96/42/1075749642.db2.gz NDASBRFCEGZKFV-CVEARBPZSA-N 0 3 413.563 1.484 20 0 HDADHN O=S1(=O)CC[C@@H](N2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)C1 ZINC000509262245 1075755358 /nfs/dbraw/zinc/75/53/58/1075755358.db2.gz GORPMQJUZDCXBS-OAQYLSRUSA-N 0 3 406.596 1.003 20 0 HDADHN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N(CCN(C)C)Cc1cccs1 ZINC000438541707 1075758393 /nfs/dbraw/zinc/75/83/93/1075758393.db2.gz RYIZCUQHOPTZRY-UHFFFAOYSA-N 0 3 401.540 1.908 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)N(C)Cc1ccccc1 ZINC000732479969 1075758384 /nfs/dbraw/zinc/75/83/84/1075758384.db2.gz CIRVQVKFUKZGDG-KRWDZBQOSA-N 0 3 423.517 1.198 20 0 HDADHN CN(CCNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000555937418 1075760988 /nfs/dbraw/zinc/76/09/88/1075760988.db2.gz DPQPCUHMDGXSOD-UHFFFAOYSA-N 0 3 406.284 1.784 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H](C)N2CCc3ccccc32)CC1 ZINC000509446465 1075764491 /nfs/dbraw/zinc/76/44/91/1075764491.db2.gz GGVWRQDQORRFBR-GOSISDBHSA-N 0 3 401.555 1.633 20 0 HDADHN CC(C)(C)c1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)no1 ZINC000493681482 1075770357 /nfs/dbraw/zinc/77/03/57/1075770357.db2.gz OGEAALQRGVRRKM-IAGOWNOFSA-N 0 3 414.506 1.910 20 0 HDADHN O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)[C@@H]1CN2CCN1CCC2 ZINC000486824593 1075790416 /nfs/dbraw/zinc/79/04/16/1075790416.db2.gz GWCRBLSAKPLDCT-HOTGVXAUSA-N 0 3 412.412 1.197 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)C(=O)Nc3ccccc3)cc2)CC1 ZINC000732594343 1075791691 /nfs/dbraw/zinc/79/16/91/1075791691.db2.gz WGVFHNWWOGEJJZ-QGZVFWFLSA-N 0 3 423.517 1.910 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000732659534 1075819408 /nfs/dbraw/zinc/81/94/08/1075819408.db2.gz SCLCVLRQLIIMAI-ZWKOTPCHSA-N 0 3 408.449 1.517 20 0 HDADHN CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000611063957 1075822783 /nfs/dbraw/zinc/82/27/83/1075822783.db2.gz PQBCSJIOSYEUFS-HLAWJBBLSA-N 0 3 419.614 1.833 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCN(C)CC(F)(F)F)cc2)CC1 ZINC000732704427 1075837242 /nfs/dbraw/zinc/83/72/42/1075837242.db2.gz QIUULDANPCMZKY-UHFFFAOYSA-N 0 3 415.460 1.377 20 0 HDADHN COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NC[C@H](C)N2CCCC2)c1 ZINC000611098486 1075842980 /nfs/dbraw/zinc/84/29/80/1075842980.db2.gz SGJMNHPOQWKJGV-HNNXBMFYSA-N 0 3 413.478 1.506 20 0 HDADHN COC(=O)c1cc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)cc(C(=O)OC)c1 ZINC000611115230 1075844780 /nfs/dbraw/zinc/84/47/80/1075844780.db2.gz ZTBPEWIASGKXNF-KRWDZBQOSA-N 0 3 405.451 1.635 20 0 HDADHN C[NH+]1CCC(N2CC[C@H](NC(=O)CCn3c(=O)c4ccccc4[n-]c3=S)C2)CC1 ZINC000732779571 1075852777 /nfs/dbraw/zinc/85/27/77/1075852777.db2.gz XIFDTBMCCQYZHH-HNNXBMFYSA-N 0 3 415.563 1.360 20 0 HDADHN CC(C)Oc1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)nn1 ZINC000551754144 1075857349 /nfs/dbraw/zinc/85/73/49/1075857349.db2.gz WQWCUYASFPCTAQ-UHFFFAOYSA-N 0 3 403.458 1.932 20 0 HDADHN COC(=O)c1ccc(OC[C@H](O)CN[C@@]2(CO)CCc3ccccc32)c(OC)c1 ZINC000611225185 1075880282 /nfs/dbraw/zinc/88/02/82/1075880282.db2.gz UDARVIWJNJYTLB-VGOFRKELSA-N 0 3 401.459 1.645 20 0 HDADHN COC(=O)c1ccsc1N1CC[C@@H](N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1=O ZINC000611244230 1075885317 /nfs/dbraw/zinc/88/53/17/1075885317.db2.gz LKDHHZDISZDKQR-JKSUJKDBSA-N 0 3 420.535 1.054 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000732887204 1075893297 /nfs/dbraw/zinc/89/32/97/1075893297.db2.gz HUMLDRCEHVDKCD-ROUUACIJSA-N 0 3 407.559 1.116 20 0 HDADHN CC(C)S(=O)(=O)Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)c1 ZINC000732893823 1075895653 /nfs/dbraw/zinc/89/56/53/1075895653.db2.gz GWCWPGUKCOZUTD-MRXNPFEDSA-N 0 3 409.552 1.939 20 0 HDADHN COC(=O)C(C)(C)[C@H]1CCCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000611321430 1075900200 /nfs/dbraw/zinc/90/02/00/1075900200.db2.gz PBQXPNUMWUNDRU-DLBZAZTESA-N 0 3 403.479 1.775 20 0 HDADHN CCN1CCc2ccc(NC(=O)C(=O)N3CC[C@@H](N4CCN(C(C)C)CC4)C3)cc21 ZINC000611367720 1075914325 /nfs/dbraw/zinc/91/43/25/1075914325.db2.gz SXHSJOZVRJGHHG-HXUWFJFHSA-N 0 3 413.566 1.634 20 0 HDADHN C[C@H](NC[C@H](O)c1cnn(C)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000766186568 1075926074 /nfs/dbraw/zinc/92/60/74/1075926074.db2.gz XMQZGEPBEQXNTI-LIRRHRJNSA-N 0 3 404.492 1.876 20 0 HDADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cc(Cl)nc(N3CCCC3)c2)CC1 ZINC000732958332 1075931882 /nfs/dbraw/zinc/93/18/82/1075931882.db2.gz NDLUTPZXOHUDTG-UHFFFAOYSA-N 0 3 405.930 1.715 20 0 HDADHN O=C(NCc1ccccc1CN1CCC(O)CC1)N1CCC2(CNC(=O)C2)CC1 ZINC000489805026 1075932203 /nfs/dbraw/zinc/93/22/03/1075932203.db2.gz IXRFTSKPEQTXEP-UHFFFAOYSA-N 0 3 400.523 1.455 20 0 HDADHN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@H]2C)ccc1N1C(=O)CCC1=O ZINC000733046333 1075952776 /nfs/dbraw/zinc/95/27/76/1075952776.db2.gz OZIPSQGBNRDBHN-HZPDHXFCSA-N 0 3 414.506 1.966 20 0 HDADHN Cc1cc(NC(=O)C(=O)NCCN2CCCC[C@@H]2C)ccc1N1C(=O)CCC1=O ZINC000733046077 1075953172 /nfs/dbraw/zinc/95/31/72/1075953172.db2.gz FZEFCZDUYMJHRS-HNNXBMFYSA-N 0 3 400.479 1.578 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NC2CCN(C(=O)OC(C)C)CC2)CC1 ZINC000733044697 1075963828 /nfs/dbraw/zinc/96/38/28/1075963828.db2.gz UNQJQMIWTHSKTG-UHFFFAOYSA-N 0 3 411.547 1.191 20 0 HDADHN CCN1CCN(CCCNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000733130539 1075979911 /nfs/dbraw/zinc/97/99/11/1075979911.db2.gz OXRSQZFMPSWECS-PYCFMQQDSA-N 0 3 421.545 1.996 20 0 HDADHN C[C@@H]1CN(CCc2ccc3c(c2)CCO3)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001080181745 1075985620 /nfs/dbraw/zinc/98/56/20/1075985620.db2.gz JLLLEPBVNAAEQP-BLMAIVTKSA-N 0 3 400.519 1.652 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)CC1 ZINC000733170017 1075999748 /nfs/dbraw/zinc/99/97/48/1075999748.db2.gz INCQNCSDGRCXEK-RBYWHNRPSA-N 0 3 415.517 1.509 20 0 HDADHN CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)CN1CC[C@H](C)C1 ZINC001081102014 1076002197 /nfs/dbraw/zinc/00/21/97/1076002197.db2.gz YPSFBALATULXJE-MZNRPPOFSA-N 0 3 403.567 1.839 20 0 HDADHN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)C2)no1 ZINC000514015418 1076015066 /nfs/dbraw/zinc/01/50/66/1076015066.db2.gz KJHBIAHWGPCUKX-IAOVAPTHSA-N 0 3 404.515 1.247 20 0 HDADHN COCCC[NH+]1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1 ZINC000727106004 1076052368 /nfs/dbraw/zinc/05/23/68/1076052368.db2.gz VJOJHIQVLLKIBA-UHFFFAOYSA-N 0 3 413.515 1.497 20 0 HDADHN Cc1csc2nc(CN[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@H]3C)cc(=O)n12 ZINC001082652198 1076061721 /nfs/dbraw/zinc/06/17/21/1076061721.db2.gz KNEXWHKSELLJGQ-FQFHLPOYSA-N 0 3 414.531 1.424 20 0 HDADHN COc1cc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)c(C(=O)N(C)C)cc1OC ZINC000727232140 1076086745 /nfs/dbraw/zinc/08/67/45/1076086745.db2.gz XYROKCNTULUOOL-AWEZNQCLSA-N 0 3 418.494 1.041 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@@H](NC(=O)OC)C(C)C)cc2)CC1 ZINC000733553838 1076097200 /nfs/dbraw/zinc/09/72/00/1076097200.db2.gz ASSUBTZMYLZCEB-IBGZPJMESA-N 0 3 420.510 1.691 20 0 HDADHN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000727375728 1076100707 /nfs/dbraw/zinc/10/07/07/1076100707.db2.gz UMCLIONUTLMSNK-NHCUHLMSSA-N 0 3 414.550 1.930 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCC(=O)Nc3ccccc3)cc2)CC1 ZINC000733669076 1076150094 /nfs/dbraw/zinc/15/00/94/1076150094.db2.gz LRYODNGGHMGTJH-UHFFFAOYSA-N 0 3 423.517 1.912 20 0 HDADHN CC(C)(CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCc2ccccc2C1 ZINC000727768138 1076221635 /nfs/dbraw/zinc/22/16/35/1076221635.db2.gz XNYMOTHGCWPZQW-IBGZPJMESA-N 0 3 414.531 1.670 20 0 HDADHN S=C(NNC(=S)NC1CCN(Cc2ccccc2)CC1)NC1CCOCC1 ZINC000727780502 1076233549 /nfs/dbraw/zinc/23/35/49/1076233549.db2.gz NROGFVPUYKZCLK-UHFFFAOYSA-N 0 3 407.609 1.673 20 0 HDADHN CS(=O)(=O)Cc1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000534183910 1076246949 /nfs/dbraw/zinc/24/69/49/1076246949.db2.gz OBGPMCJEAGBWSR-SFTDATJTSA-N 0 3 416.543 1.844 20 0 HDADHN Cc1ccccc1[C@@]1(C)NC(=O)N(CN2CCC(CN3CCOCC3)CC2)C1=O ZINC000728045937 1076318814 /nfs/dbraw/zinc/31/88/14/1076318814.db2.gz SXMGMEQBKNFXTF-JOCHJYFZSA-N 0 3 400.523 1.764 20 0 HDADHN COc1ccc(CN2CCN(C(=O)CN3CCC[C@@H](C4OCCO4)C3)CC2)cc1 ZINC000728053063 1076321106 /nfs/dbraw/zinc/32/11/06/1076321106.db2.gz GOVLBNUPRJTVBB-LJQANCHMSA-N 0 3 403.523 1.424 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000728072593 1076332524 /nfs/dbraw/zinc/33/25/24/1076332524.db2.gz DVSNVBYBHUILKU-ZIAGYGMSSA-N 0 3 422.448 1.209 20 0 HDADHN CC1(C)NC(=O)N(CCN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)C1=O ZINC000728171346 1076363748 /nfs/dbraw/zinc/36/37/48/1076363748.db2.gz HSIWTOACSRTIQD-UHFFFAOYSA-N 0 3 402.451 1.396 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000730219281 1076481349 /nfs/dbraw/zinc/48/13/49/1076481349.db2.gz YIBSSCRUSBSSPD-UXHICEINSA-N 0 3 412.534 1.622 20 0 HDADHN O=C(CCC(=O)N1CCCN(C[C@H]2CCCO2)CC1)N1CCOc2ccccc21 ZINC000730277274 1076519819 /nfs/dbraw/zinc/51/98/19/1076519819.db2.gz LTLNZJZYWRHMQO-GOSISDBHSA-N 0 3 401.507 1.906 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000730538870 1076585340 /nfs/dbraw/zinc/58/53/40/1076585340.db2.gz ASYBAIWGOLUWFF-VAMGGRTRSA-N 0 3 421.563 1.208 20 0 HDADHN CON(C)S(=O)(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2ccccn2)cc1 ZINC000730666035 1076633999 /nfs/dbraw/zinc/63/39/99/1076633999.db2.gz QXXAUNMLGYTTBO-UHFFFAOYSA-N 0 3 421.523 1.859 20 0 HDADHN CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1c(F)cccc1-n1cccn1 ZINC000730681494 1076637268 /nfs/dbraw/zinc/63/72/68/1076637268.db2.gz JZBIPDRUWHTVHH-UHFFFAOYSA-N 0 3 410.453 1.935 20 0 HDADHN CN(C[C@H]1CCCOC1)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000730803538 1076655042 /nfs/dbraw/zinc/65/50/42/1076655042.db2.gz JZHKACOUPXXKNM-DENIHFKCSA-N 0 3 400.523 1.889 20 0 HDADHN O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000730920860 1076693815 /nfs/dbraw/zinc/69/38/15/1076693815.db2.gz PIAODZUNRQOSMI-AWEZNQCLSA-N 0 3 415.462 1.708 20 0 HDADHN O=C(Nc1ccc(CN2CCOC2=O)cc1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000730920889 1076694284 /nfs/dbraw/zinc/69/42/84/1076694284.db2.gz PQDOWDRFYQUFFE-SFHVURJKSA-N 0 3 400.479 1.664 20 0 HDADHN C[C@@H]1CN(c2ccc(NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)cc2F)C[C@@H](C)O1 ZINC000731133533 1076736636 /nfs/dbraw/zinc/73/66/36/1076736636.db2.gz BDDPMHNLEPXMSK-RKVPGOIHSA-N 0 3 418.513 1.978 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)COCC(=O)NCc3cccnc3)cc2)CC1 ZINC000731183803 1076746562 /nfs/dbraw/zinc/74/65/62/1076746562.db2.gz SRZGXCBUJJQOQG-UHFFFAOYSA-N 0 3 411.506 1.495 20 0 HDADHN C(c1nc2sc3c(c2c(N2CC[C@H]4NCCO[C@H]4C2)n1)CCC3)N1CCOCC1 ZINC001164391735 718824420 /nfs/dbraw/zinc/82/44/20/718824420.db2.gz WVAHAJMPLRKTEU-CVEARBPZSA-N 0 3 415.563 1.579 20 0 HDADHN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(Cl)nc2nc(C)[nH]c21 ZINC001164706748 719848658 /nfs/dbraw/zinc/84/86/58/719848658.db2.gz YJSHULWCSVCAOK-KZULUSFZSA-N 0 3 408.890 1.547 20 0 HDADHN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(CN2CCCC2)cn1 ZINC001164702337 719867354 /nfs/dbraw/zinc/86/73/54/719867354.db2.gz ILACOSYXRMXEND-UGKGYDQZSA-N 0 3 402.539 1.910 20 0 HDADHN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(CN2CCCC2)cn1 ZINC001164702336 719867580 /nfs/dbraw/zinc/86/75/80/719867580.db2.gz ILACOSYXRMXEND-SIKLNZKXSA-N 0 3 402.539 1.910 20 0 HDADHN O=C(N[C@@H]1CN(c2ncccc2CN2CCCC2)C[C@H]2CCCO[C@H]21)c1cnccn1 ZINC001164717924 720056452 /nfs/dbraw/zinc/05/64/52/720056452.db2.gz ZGYOVBKTFMIRFX-DUXKGJEZSA-N 0 3 422.533 1.881 20 0 HDADHN CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2c2ccc(CN3CCCC3)cn2)O1 ZINC001164723133 720323365 /nfs/dbraw/zinc/32/33/65/720323365.db2.gz HAVATZFTYVDRBQ-UFYCRDLUSA-N 0 3 402.539 1.909 20 0 HDADHN Cc1nc(N(C)C)cc(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)n1 ZINC001164826418 720434101 /nfs/dbraw/zinc/43/41/01/720434101.db2.gz WFXQAINTZRVMGH-QGZVFWFLSA-N 0 3 415.542 1.037 20 0 HDADHN COC(=O)c1ccc2c(c1)ncnc2N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745730 720636481 /nfs/dbraw/zinc/63/64/81/720636481.db2.gz WEJGLENKKSYFLZ-HZPDHXFCSA-N 0 3 406.446 1.548 20 0 HDADHN COC(=O)c1ccc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)ncc2c1 ZINC001164738721 720639594 /nfs/dbraw/zinc/63/95/94/720639594.db2.gz DEWPYJMRZDNWAM-DLBZAZTESA-N 0 3 406.446 1.548 20 0 HDADHN CCOC(=O)c1cc2cccnc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737620 720694072 /nfs/dbraw/zinc/69/40/72/720694072.db2.gz GPNVMDFIYNWUFZ-IRXDYDNUSA-N 0 3 420.473 1.938 20 0 HDADHN CN(Cc1ccc(N2CC[C@@H]3CO[C@@H](CNC(=O)c4ccno4)[C@@H]3C2)nc1)C1CC1 ZINC001164859090 720913635 /nfs/dbraw/zinc/91/36/35/720913635.db2.gz OOYWBYPZMOEEQJ-POAQFYNOSA-N 0 3 411.506 1.935 20 0 HDADHN COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1ccc(CN(C)C2CC2)cn1 ZINC001164757679 721024903 /nfs/dbraw/zinc/02/49/03/721024903.db2.gz GBNRBBARTHSEPS-GOSISDBHSA-N 0 3 408.510 1.703 20 0 HDADHN COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1ccc(CN(C)C2CC2)cn1 ZINC001164757680 721025004 /nfs/dbraw/zinc/02/50/04/721025004.db2.gz GBNRBBARTHSEPS-SFHVURJKSA-N 0 3 408.510 1.703 20 0 HDADHN O=C(c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1)N1CCOCC1 ZINC001164869943 721049990 /nfs/dbraw/zinc/04/99/90/721049990.db2.gz URUCBFXNLGWQJU-NHCUHLMSSA-N 0 3 423.517 1.429 20 0 HDADHN C[C@@H]1C(=O)Nc2cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2N1C ZINC001164866655 721093636 /nfs/dbraw/zinc/09/36/36/721093636.db2.gz UNZNLTGTSQQPNA-HYVNUMGLSA-N 0 3 409.494 1.128 20 0 HDADHN CCc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(N2CCOCC2)n1 ZINC001164863324 721111703 /nfs/dbraw/zinc/11/17/03/721111703.db2.gz BVENSSUALDXAHV-NHCUHLMSSA-N 0 3 424.549 1.750 20 0 HDADHN CCc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(N2CCOCC2)n1 ZINC001164863325 721113536 /nfs/dbraw/zinc/11/35/36/721113536.db2.gz BVENSSUALDXAHV-RTWAWAEBSA-N 0 3 424.549 1.750 20 0 HDADHN CN(C)C(=O)CN1CCOCC2(CCN(c3cc(Cl)nc4[nH]cnc43)CC2)C1 ZINC001164870246 721270974 /nfs/dbraw/zinc/27/09/74/721270974.db2.gz UVFFTUMKXKVXHR-UHFFFAOYSA-N 0 3 406.918 1.618 20 0 HDADHN CCOC(=O)Cc1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1 ZINC001164890630 721412996 /nfs/dbraw/zinc/41/29/96/721412996.db2.gz UESUXOJRGBNNGK-REWPJTCUSA-N 0 3 416.566 1.953 20 0 HDADHN CCOC(=O)Cc1ccnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1 ZINC001164885394 721451996 /nfs/dbraw/zinc/45/19/96/721451996.db2.gz DNKUBAVJEOOXTO-NZQKXSOJSA-N 0 3 416.566 1.953 20 0 HDADHN CN1CCN(c2nccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164905401 721560622 /nfs/dbraw/zinc/56/06/22/721560622.db2.gz HGBFHVQMZIEMAK-AZUAARDMSA-N 0 3 412.513 1.709 20 0 HDADHN CN(Cc1ccc(N2C[C@H](NC(=O)c3cnn(C)c3)[C@@H]3OCCC[C@@H]32)nc1)C1CC1 ZINC001165013409 721757819 /nfs/dbraw/zinc/75/78/19/721757819.db2.gz LNGGBBDVLQXKND-ZJOUEHCJSA-N 0 3 410.522 1.576 20 0 HDADHN Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4ncccc4CN4CCCC4)CC[C@H]32)cn1 ZINC001164958733 722032463 /nfs/dbraw/zinc/03/24/63/722032463.db2.gz PQJIWFTYCDCCBE-NJYVYQBISA-N 0 3 424.549 1.682 20 0 HDADHN Cn1ccnc1C(=O)N[C@@H]1CN(c2ccc(CN3CCCC3)cn2)[C@H]2CCCO[C@H]12 ZINC001164981276 722093387 /nfs/dbraw/zinc/09/33/87/722093387.db2.gz NDBHTISJANNRKQ-WSTZPKSXSA-N 0 3 410.522 1.577 20 0 HDADHN NC(=O)c1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001164980829 722103508 /nfs/dbraw/zinc/10/35/08/722103508.db2.gz KOJJHSXZYBTEBN-NVXWUHKLSA-N 0 3 401.898 1.956 20 0 HDADHN c1cncc(CN2CCO[C@H]3CN(c4ccnc(N5CCOCC5)n4)CC[C@H]3C2)c1 ZINC001164981038 722128980 /nfs/dbraw/zinc/12/89/80/722128980.db2.gz SEQDDBITKPTWGQ-PMACEKPBSA-N 0 3 410.522 1.436 20 0 HDADHN Cc1nc(CN2CCO[C@@H]3CCN(c4ncc5c(n4)CCNC5)CC[C@H]32)cs1 ZINC001164988453 722177570 /nfs/dbraw/zinc/17/75/70/722177570.db2.gz RIDYHXNRTXZHRF-RTBURBONSA-N 0 3 400.552 1.757 20 0 HDADHN O=C(NC[C@H]1CSCCN1Cc1ccccc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000429045248 1073460758 /nfs/dbraw/zinc/46/07/58/1073460758.db2.gz SMLRVVONRUBQRY-SFTDATJTSA-N 0 3 418.607 1.968 20 0 HDADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000429047555 1073467547 /nfs/dbraw/zinc/46/75/47/1073467547.db2.gz XKEQEDLZMNUOMD-LEWJYISDSA-N 0 3 412.538 1.991 20 0 HDADHN CCNC(=O)c1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(C)c1 ZINC000482994378 1073548123 /nfs/dbraw/zinc/54/81/23/1073548123.db2.gz KTQKUHXZNUXQNO-SFHVURJKSA-N 0 3 401.511 1.515 20 0 HDADHN Cc1cccc(N2CCN(CCC(=O)N[C@@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)CC2)c1 ZINC000673684796 1073640209 /nfs/dbraw/zinc/64/02/09/1073640209.db2.gz JSABLUSDAHAHKM-WIYYLYMNSA-N 0 3 424.549 1.551 20 0 HDADHN NS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000015360795 1073641454 /nfs/dbraw/zinc/64/14/54/1073641454.db2.gz ADUNOSZVKJMXEU-UHFFFAOYSA-N 0 3 423.560 1.798 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000673774150 1073707687 /nfs/dbraw/zinc/70/76/87/1073707687.db2.gz SEMYARJJPAXGLY-LJQANCHMSA-N 0 3 415.582 1.845 20 0 HDADHN NC(=O)c1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ccc1F ZINC000673875736 1073842018 /nfs/dbraw/zinc/84/20/18/1073842018.db2.gz DSGXYLGPXKXTGI-DNVCBOLYSA-N 0 3 400.454 1.929 20 0 HDADHN CN(C)c1nc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cs1 ZINC000673882195 1073853978 /nfs/dbraw/zinc/85/39/78/1073853978.db2.gz YAKPYAUCMZUSEY-FUHWJXTLSA-N 0 3 403.552 1.891 20 0 HDADHN Cc1c(C(=O)NC[C@H](O)COCC(C)C)nnn1-c1cccc2c1CCN(C)C2 ZINC000673944118 1073918413 /nfs/dbraw/zinc/91/84/13/1073918413.db2.gz FDYVBNYUXKRZQK-KRWDZBQOSA-N 0 3 401.511 1.327 20 0 HDADHN Cn1cc(N2CCN(C(=O)NC[C@H](c3cccs3)N3CCCC3)CC2=O)cn1 ZINC000429179606 1073960757 /nfs/dbraw/zinc/96/07/57/1073960757.db2.gz FZEYFBSBFGVEHE-MRXNPFEDSA-N 0 3 402.524 1.677 20 0 HDADHN CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2OC[C@@H]4COCC[C@H]24)C3)CC1 ZINC001005049714 1073998817 /nfs/dbraw/zinc/99/88/17/1073998817.db2.gz KUJDYHLIXCLEPU-WGEHRRGWSA-N 0 3 405.539 1.018 20 0 HDADHN Cc1ccc(NC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)c(=O)[nH]1 ZINC000543530476 1074018903 /nfs/dbraw/zinc/01/89/03/1074018903.db2.gz DAYMXPIRWOLAQC-UHFFFAOYSA-N 0 3 411.506 1.358 20 0 HDADHN CN(Cc1cccs1)C(=O)CNC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCC1 ZINC001273122402 1074037755 /nfs/dbraw/zinc/03/77/55/1074037755.db2.gz QFNJCBYDCRXRBM-BCDMZGRMSA-N 0 3 403.548 1.758 20 0 HDADHN Cc1ccc(NC(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c(=O)[nH]1 ZINC000543558419 1074098690 /nfs/dbraw/zinc/09/86/90/1074098690.db2.gz LNXVJJQZOIYIBT-HZPDHXFCSA-N 0 3 404.511 1.772 20 0 HDADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC000674038571 1074110350 /nfs/dbraw/zinc/11/03/50/1074110350.db2.gz FBGMCVIFFXGTTD-UHFFFAOYSA-N 0 3 401.511 1.355 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cn2ccc(Br)cc2n1 ZINC000509211867 1074131611 /nfs/dbraw/zinc/13/16/11/1074131611.db2.gz PQEAVVRQQQHFAM-HNNXBMFYSA-N 0 3 422.327 1.769 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000674090103 1074180561 /nfs/dbraw/zinc/18/05/61/1074180561.db2.gz PHNFKRCNAWBOIZ-QGZVFWFLSA-N 0 3 403.433 1.705 20 0 HDADHN COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)NCCN1CCC(OC)CC1 ZINC000674316228 1074265054 /nfs/dbraw/zinc/26/50/54/1074265054.db2.gz DPHIMEWEISTVOU-UHFFFAOYSA-N 0 3 420.510 1.400 20 0 HDADHN COC1CCN(CCNC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000674309992 1074267371 /nfs/dbraw/zinc/26/73/71/1074267371.db2.gz OKJSYRIPGSEHPR-QGZVFWFLSA-N 0 3 403.479 1.247 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000674311619 1074269545 /nfs/dbraw/zinc/26/95/45/1074269545.db2.gz HLWIESTYEDTQSF-IBGZPJMESA-N 0 3 409.552 1.375 20 0 HDADHN COC1CCN(CCNC(=O)C(=O)Nc2ccccc2CN2CCSCC2)CC1 ZINC000674321054 1074281867 /nfs/dbraw/zinc/28/18/67/1074281867.db2.gz NTOJCXSWYITSPZ-UHFFFAOYSA-N 0 3 420.579 1.401 20 0 HDADHN O=S(=O)(NCc1ccccc1CN1CCC[C@@H]1CO)c1cccc2c1OCO2 ZINC000509223566 1074289356 /nfs/dbraw/zinc/28/93/56/1074289356.db2.gz KYKYXRUPOXZGBI-QGZVFWFLSA-N 0 3 404.488 1.851 20 0 HDADHN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000674360570 1074292585 /nfs/dbraw/zinc/29/25/85/1074292585.db2.gz TVUACPQMJNUISC-INIZCTEOSA-N 0 3 401.486 1.924 20 0 HDADHN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000674360570 1074292593 /nfs/dbraw/zinc/29/25/93/1074292593.db2.gz TVUACPQMJNUISC-INIZCTEOSA-N 0 3 401.486 1.924 20 0 HDADHN Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)N(C)C)cc1 ZINC000674431742 1074343101 /nfs/dbraw/zinc/34/31/01/1074343101.db2.gz UFPIMEXQWCDJHZ-XGHQBKJUSA-N 0 3 401.511 1.617 20 0 HDADHN COCCOc1ccccc1NC(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000485086422 1074384732 /nfs/dbraw/zinc/38/47/32/1074384732.db2.gz NATJLXJNFVHACG-UHFFFAOYSA-N 0 3 414.462 1.403 20 0 HDADHN Cc1c(C(=O)NCCCNC(=O)C2CCC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000674514559 1074412571 /nfs/dbraw/zinc/41/25/71/1074412571.db2.gz RTKXPLICFAKRJU-UHFFFAOYSA-N 0 3 410.522 1.600 20 0 HDADHN Cc1c(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000674520196 1074419910 /nfs/dbraw/zinc/41/99/10/1074419910.db2.gz YPNLBOPTYYRUJI-MRXNPFEDSA-N 0 3 410.522 1.693 20 0 HDADHN C[C@@H](N[C@@H]1Cc2cccc(O)c2C1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000429234650 1074451989 /nfs/dbraw/zinc/45/19/89/1074451989.db2.gz ZFXJTVSJGJZQHV-DYESRHJHSA-N 0 3 409.530 1.986 20 0 HDADHN CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)CCN2CCN(c3ccccc3)CC2)C1=O ZINC000674583909 1074464680 /nfs/dbraw/zinc/46/46/80/1074464680.db2.gz NCVPCRWCTCYABJ-VGOFRKELSA-N 0 3 413.522 1.035 20 0 HDADHN CNC(=O)Cc1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2cccs2)cc1 ZINC000674588215 1074468421 /nfs/dbraw/zinc/46/84/21/1074468421.db2.gz BMTNJODYRVNNOD-UHFFFAOYSA-N 0 3 402.520 1.566 20 0 HDADHN CCn1nc2c(cc1=O)CN(C(=O)CCN1CCN(c3cccc(C)c3)CC1)CC2 ZINC000674593084 1074471299 /nfs/dbraw/zinc/47/12/99/1074471299.db2.gz IBZYXVBGPPLTLC-UHFFFAOYSA-N 0 3 409.534 1.669 20 0 HDADHN CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000674639672 1074500194 /nfs/dbraw/zinc/50/01/94/1074500194.db2.gz XNTHEEWVNHOWDV-HRAATJIYSA-N 0 3 419.501 1.619 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccc(CC(=O)NC(C)C)cc2)CC1 ZINC000509235894 1074524237 /nfs/dbraw/zinc/52/42/37/1074524237.db2.gz NUFVGUGVXNEMFY-UHFFFAOYSA-N 0 3 417.554 1.772 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(COC(=O)C2CC[C@H](C(F)(F)F)NC2=O)cc1 ZINC000766076081 1074584483 /nfs/dbraw/zinc/58/44/83/1074584483.db2.gz FYEIDVJCHNTFPN-QWHCGFSZSA-N 0 3 408.398 1.437 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(COC(=O)C2CC[C@@H](C(F)(F)F)NC2=O)cc1 ZINC000766076083 1074584518 /nfs/dbraw/zinc/58/45/18/1074584518.db2.gz FYEIDVJCHNTFPN-STQMWFEESA-N 0 3 408.398 1.437 20 0 HDADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000674916891 1074627333 /nfs/dbraw/zinc/62/73/33/1074627333.db2.gz GXAMURUBFUDOHN-FCHUYYIVSA-N 0 3 416.566 1.784 20 0 HDADHN CNc1nnc(CC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)s1 ZINC000543698954 1074665105 /nfs/dbraw/zinc/66/51/05/1074665105.db2.gz GPHMENZIJQAFOK-INIZCTEOSA-N 0 3 415.567 1.578 20 0 HDADHN O=C(Nc1ccccc1CN1CCNC1=O)N1CCN(CC2CCOCC2)CC1 ZINC000543614150 1074715514 /nfs/dbraw/zinc/71/55/14/1074715514.db2.gz WZQBGLHAOFTLMX-UHFFFAOYSA-N 0 3 401.511 1.788 20 0 HDADHN C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)CN1Cc1ccccc1 ZINC000675107628 1074722673 /nfs/dbraw/zinc/72/26/73/1074722673.db2.gz XECTXBUFQOBFIS-XNGFIGEISA-N 0 3 413.522 1.669 20 0 HDADHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000470619883 1074726488 /nfs/dbraw/zinc/72/64/88/1074726488.db2.gz PCRQJCJILQHMFA-XHSDSOJGSA-N 0 3 417.597 1.582 20 0 HDADHN Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)nn1-c1ccccc1 ZINC000540295139 1074727926 /nfs/dbraw/zinc/72/79/26/1074727926.db2.gz NQWSJROIGVWMBC-FQEVSTJZSA-N 0 3 424.549 1.746 20 0 HDADHN COC(=O)CCc1nnc(NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)s1 ZINC000467469229 1074728558 /nfs/dbraw/zinc/72/85/58/1074728558.db2.gz MUBDGHBTCOWWCE-ZFWWWQNUSA-N 0 3 403.508 2.428 20 0 HDADHN CC(C)(C)c1nn(-c2ccccc2)cc1CNCCN1CCN(S(C)(=O)=O)CC1 ZINC000675156513 1074747201 /nfs/dbraw/zinc/74/72/01/1074747201.db2.gz MOQCWCCTIYCAHG-UHFFFAOYSA-N 0 3 419.595 1.837 20 0 HDADHN C[C@H](N[C@H]1Cc2cccc(O)c2C1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000429321979 1074756096 /nfs/dbraw/zinc/75/60/96/1074756096.db2.gz GUIWZOQSWMOGDF-XEZPLFJOSA-N 0 3 403.504 1.362 20 0 HDADHN CN(C)S(=O)(=O)c1cc(NC(=O)CN[C@H]2Cc3cccc(O)c3C2)ccc1Cl ZINC000429322860 1074763163 /nfs/dbraw/zinc/76/31/63/1074763163.db2.gz PKEDUFGZQQAQSH-AWEZNQCLSA-N 0 3 423.922 1.991 20 0 HDADHN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000675297509 1074791308 /nfs/dbraw/zinc/79/13/08/1074791308.db2.gz TYQPZRCEISHKDO-GOSISDBHSA-N 0 3 416.547 1.787 20 0 HDADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675304971 1074793048 /nfs/dbraw/zinc/79/30/48/1074793048.db2.gz VVFYOUOIUOROEH-RDJZCZTQSA-N 0 3 404.898 1.162 20 0 HDADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)Nc1nc2cc(Cl)ccn2n1 ZINC000562094601 1074793962 /nfs/dbraw/zinc/79/39/62/1074793962.db2.gz CIXQFOJPEKATMN-IBGZPJMESA-N 0 3 400.870 2.141 20 0 HDADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NC[C@H](c2ccccc2)N(C)C)C[C@H](C)O1 ZINC000670503102 1074819616 /nfs/dbraw/zinc/81/96/16/1074819616.db2.gz CJWTUBUTEHRECS-IZZBFERCSA-N 0 3 416.566 1.506 20 0 HDADHN CCCn1ccnc1CCCN(C)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000429245812 1075090443 /nfs/dbraw/zinc/09/04/43/1075090443.db2.gz LQLOUQYYSBHNLE-UHFFFAOYSA-N 0 3 407.540 1.752 20 0 HDADHN C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC[C@H]1N1CCN(C)CC1 ZINC000485761899 1075127833 /nfs/dbraw/zinc/12/78/33/1075127833.db2.gz LWEUHMMVSMKUTQ-VQIMIIECSA-N 0 3 408.568 1.035 20 0 HDADHN COC1(c2ccccc2)CN(C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1 ZINC000509333604 1075132459 /nfs/dbraw/zinc/13/24/59/1075132459.db2.gz GFTWGNNMYDQQAA-UHFFFAOYSA-N 0 3 424.501 1.877 20 0 HDADHN C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000675410758 1075132665 /nfs/dbraw/zinc/13/26/65/1075132665.db2.gz LREXWLUYDDDSQY-UONOGXRCSA-N 0 3 404.467 1.026 20 0 HDADHN Cc1cc(NC(=O)CSCC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)no1 ZINC000576305479 1075133682 /nfs/dbraw/zinc/13/36/82/1075133682.db2.gz ZFXHZZMWOXFTTL-NVXWUHKLSA-N 0 3 402.520 2.434 20 0 HDADHN COc1ccc(C(=O)NCc2ccccc2CN(C)C)cc1S(=O)(=O)N(C)C ZINC000009917113 1075149999 /nfs/dbraw/zinc/14/99/99/1075149999.db2.gz QXQPBXPAJDDHNP-UHFFFAOYSA-N 0 3 405.520 1.937 20 0 HDADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000675451502 1075152527 /nfs/dbraw/zinc/15/25/27/1075152527.db2.gz FTRMANOYDUVCRQ-CXAGYDPISA-N 0 3 424.904 1.691 20 0 HDADHN COc1ccc(S(=O)(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1C(N)=O ZINC000675469061 1075163607 /nfs/dbraw/zinc/16/36/07/1075163607.db2.gz CHDQHNXSWUGGPB-CYBMUJFWSA-N 0 3 405.476 1.312 20 0 HDADHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)c2ccccc2O1 ZINC000675472596 1075166847 /nfs/dbraw/zinc/16/68/47/1075166847.db2.gz PRXDVKWYFUPJPB-LBPRGKRZSA-N 0 3 416.459 1.559 20 0 HDADHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c2ccccc2O1 ZINC000675472224 1075167647 /nfs/dbraw/zinc/16/76/47/1075167647.db2.gz MPODPJZQVOGBMK-INIZCTEOSA-N 0 3 424.544 1.749 20 0 HDADHN CN(C)C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c2ccccc2O1 ZINC000675471559 1075167888 /nfs/dbraw/zinc/16/78/88/1075167888.db2.gz JAEJNLATZSTYCY-INIZCTEOSA-N 0 3 403.504 1.906 20 0 HDADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429352412 1075171434 /nfs/dbraw/zinc/17/14/34/1075171434.db2.gz WKKYKNYKJJAJBW-WDSOQIARSA-N 0 3 411.568 1.358 20 0 HDADHN C[C@H](NCCC(=O)OC(C)(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766146638 1075174355 /nfs/dbraw/zinc/17/43/55/1075174355.db2.gz ZFTDXMKLHJQNKR-ZDUSSCGKSA-N 0 3 420.553 1.795 20 0 HDADHN CNS(=O)(=O)c1ccc(CCC(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1 ZINC000675489714 1075174936 /nfs/dbraw/zinc/17/49/36/1075174936.db2.gz HEOZRRORFKDRGL-KRWDZBQOSA-N 0 3 417.531 1.883 20 0 HDADHN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000675539163 1075195609 /nfs/dbraw/zinc/19/56/09/1075195609.db2.gz XYURIETUORCIJA-SFHVURJKSA-N 0 3 409.552 1.699 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000675538723 1075196294 /nfs/dbraw/zinc/19/62/94/1075196294.db2.gz MYTDEGJTRGVSPA-IBGZPJMESA-N 0 3 421.563 1.891 20 0 HDADHN COCCN(C)CCOc1cccc(CNS(=O)(=O)c2cccc3c2OCO3)c1 ZINC000509349342 1075200291 /nfs/dbraw/zinc/20/02/91/1075200291.db2.gz COWYQHWHBYXFIF-UHFFFAOYSA-N 0 3 422.503 1.851 20 0 HDADHN COc1cc(CN[C@H]2CCN(C(=O)C3CCCC3)C2)cc(OC)c1OCC(N)=O ZINC000675553241 1075207403 /nfs/dbraw/zinc/20/74/03/1075207403.db2.gz GCAVPRMSZVOOKV-INIZCTEOSA-N 0 3 405.495 1.449 20 0 HDADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000578385475 1075226819 /nfs/dbraw/zinc/22/68/19/1075226819.db2.gz LVBSDVLSVJEODV-OAHLLOKOSA-N 0 3 415.460 2.009 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)Nc3ccn(CCOC)n3)cc2)CC1 ZINC000513924492 1075232450 /nfs/dbraw/zinc/23/24/50/1075232450.db2.gz UDWJISHIBRXBMO-UHFFFAOYSA-N 0 3 400.527 1.989 20 0 HDADHN Cc1ccc2ncccc2c1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000675760214 1075265818 /nfs/dbraw/zinc/26/58/18/1075265818.db2.gz OYTAKILRQVGBGC-SFHVURJKSA-N 0 3 402.520 1.470 20 0 HDADHN O=S(=O)(NCC1CC1)c1ccc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)nc1 ZINC000534061436 1075278400 /nfs/dbraw/zinc/27/84/00/1075278400.db2.gz HEXKJGOXYFNBPJ-RTBURBONSA-N 0 3 416.547 1.817 20 0 HDADHN Cc1ccc(Cc2nnc(NC(=O)NC[C@H](C)CN3CCN(C)CC3)s2)cc1 ZINC000466133188 1075286914 /nfs/dbraw/zinc/28/69/14/1075286914.db2.gz DSGNTCPAEHQENG-INIZCTEOSA-N 0 3 402.568 2.442 20 0 HDADHN COCCNS(=O)(=O)c1cccc(CN[C@H](C)c2cccc(-n3cnnn3)c2)c1 ZINC000675890426 1075287071 /nfs/dbraw/zinc/28/70/71/1075287071.db2.gz MGQDPQSGCNSUGK-OAHLLOKOSA-N 0 3 416.507 1.438 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000675898912 1075288057 /nfs/dbraw/zinc/28/80/57/1075288057.db2.gz RYEQBHJQXRYSMD-KSSFIOAISA-N 0 3 416.349 1.972 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2nnn(C3CC3)c2C(F)(F)F)CC1 ZINC000675919055 1075291842 /nfs/dbraw/zinc/29/18/42/1075291842.db2.gz WGNUMAWZYFDSMI-LBPRGKRZSA-N 0 3 400.405 1.010 20 0 HDADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000479098600 1075296240 /nfs/dbraw/zinc/29/62/40/1075296240.db2.gz VSQORFUZBSOWBG-UHFFFAOYSA-N 0 3 415.365 1.748 20 0 HDADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000443841559 1075315131 /nfs/dbraw/zinc/31/51/31/1075315131.db2.gz LBEWADOWPZOSRH-PBHICJAKSA-N 0 3 415.494 1.651 20 0 HDADHN c1cc2c(cn1)nc(NCCCN1CCOCC1)cc2NCCCN1CCOCC1 ZINC000552894709 1075322419 /nfs/dbraw/zinc/32/24/19/1075322419.db2.gz IDEUZFXRNGTWQO-UHFFFAOYSA-N 0 3 414.554 1.898 20 0 HDADHN CCOC(=O)c1cn(C)nc1NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000612052449 1075323929 /nfs/dbraw/zinc/32/39/29/1075323929.db2.gz MYEUGKWCMWWNCO-UHFFFAOYSA-N 0 3 423.477 1.726 20 0 HDADHN COC1CCN(CCNC(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000676025570 1075328329 /nfs/dbraw/zinc/32/83/29/1075328329.db2.gz QDMIYTNGVGYOGS-UHFFFAOYSA-N 0 3 423.989 1.872 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@]1(O)CCCc2ccccc21 ZINC000731404349 1075331129 /nfs/dbraw/zinc/33/11/29/1075331129.db2.gz ARYNTAZETRDGIN-UGKGYDQZSA-N 0 3 402.539 1.452 20 0 HDADHN COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000509379221 1075339972 /nfs/dbraw/zinc/33/99/72/1075339972.db2.gz GZAYAALPMDLGOK-PKOBYXMFSA-N 0 3 417.506 1.152 20 0 HDADHN Cc1ccccc1[C@@H](CN1CCOCC1)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000676075689 1075343461 /nfs/dbraw/zinc/34/34/61/1075343461.db2.gz JYKFUTFJMQSKFB-PZJWPPBQSA-N 0 3 424.611 1.619 20 0 HDADHN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)[C@@H](C(=O)OC)C1 ZINC000509380912 1075357441 /nfs/dbraw/zinc/35/74/41/1075357441.db2.gz RLMZGTOWXFOSLW-ZHALLVOQSA-N 0 3 420.481 1.991 20 0 HDADHN O=C(NC[C@H]1CCCN1Cc1ccccc1)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000676096115 1075360076 /nfs/dbraw/zinc/36/00/76/1075360076.db2.gz GGLORVAABDAERO-HXUWFJFHSA-N 0 3 404.474 1.987 20 0 HDADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000804089288 1075384420 /nfs/dbraw/zinc/38/44/20/1075384420.db2.gz VQJXTVJZINSFRJ-SJORKVTESA-N 0 3 412.575 1.985 20 0 HDADHN CN1CCN(c2ccncc2NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000731575781 1075392436 /nfs/dbraw/zinc/39/24/36/1075392436.db2.gz XDIRPTGZSVYSCG-UHFFFAOYSA-N 0 3 408.437 1.771 20 0 HDADHN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000437481688 1075420332 /nfs/dbraw/zinc/42/03/32/1075420332.db2.gz ZDINYQMPSYWBIZ-MRXNPFEDSA-N 0 3 414.485 2.130 20 0 HDADHN NC(=NOCC(=O)NC(C1CC1)C1CC1)c1ccccc1CN1CCC(O)CC1 ZINC000731664274 1075453084 /nfs/dbraw/zinc/45/30/84/1075453084.db2.gz HHCLMCZYBMZOTF-UHFFFAOYSA-N 0 3 400.523 1.795 20 0 HDADHN Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1C ZINC000676342219 1075514848 /nfs/dbraw/zinc/51/48/48/1075514848.db2.gz DZEZXQIEGUNKLY-GOSISDBHSA-N 0 3 409.552 1.341 20 0 HDADHN CCOc1ccccc1C(=O)NCCCC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000676341457 1075515673 /nfs/dbraw/zinc/51/56/73/1075515673.db2.gz QPULMFHBXJWAQG-SFHVURJKSA-N 0 3 403.523 1.965 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000676343481 1075517439 /nfs/dbraw/zinc/51/74/39/1075517439.db2.gz QYQXOQKUAAQYNV-MSOLQXFVSA-N 0 3 415.490 1.389 20 0 HDADHN Cc1sc2ncn(CCC(=O)NC3CCN([C@@H]4CCOC4)CC3)c(=O)c2c1C ZINC000676345718 1075519473 /nfs/dbraw/zinc/51/94/73/1075519473.db2.gz SJAAAYIQNOIWJM-MRXNPFEDSA-N 0 3 404.536 1.834 20 0 HDADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCO[C@H](CCc2ccccc2)C1 ZINC000543672286 1075524831 /nfs/dbraw/zinc/52/48/31/1075524831.db2.gz FWVOIJAVFILRFB-JOCHJYFZSA-N 0 3 418.582 1.420 20 0 HDADHN C[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1nc2ccccc2s1 ZINC000804163700 1075567685 /nfs/dbraw/zinc/56/76/85/1075567685.db2.gz CXRCHMDMEYBKRM-CQSZACIVSA-N 0 3 403.552 1.616 20 0 HDADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccccn2)C1 ZINC000676551120 1075584039 /nfs/dbraw/zinc/58/40/39/1075584039.db2.gz JYLHOXMCDGCNCF-FQEVSTJZSA-N 0 3 418.501 1.998 20 0 HDADHN CNC(=O)c1cncc(/C=C/C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000732058167 1075597317 /nfs/dbraw/zinc/59/73/17/1075597317.db2.gz XMZQWPNCMPYCAR-DGSRBQDKSA-N 0 3 421.545 1.949 20 0 HDADHN COC1(CNC(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)CCOCC1 ZINC000676612307 1075615175 /nfs/dbraw/zinc/61/51/75/1075615175.db2.gz FNHMUXASNBZPPP-UHFFFAOYSA-N 0 3 404.555 1.641 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1ccc2c(cnn2C(F)F)c1)CN1CCN(C)CC1 ZINC000676618333 1075617962 /nfs/dbraw/zinc/61/79/62/1075617962.db2.gz SDLIPWDDLXGVMB-CYBMUJFWSA-N 0 3 408.453 1.370 20 0 HDADHN CCOC(=O)c1ccc(CNC(=O)N2CCN(C(=O)CN(CC)CC)CC2)cc1 ZINC000509428956 1075627070 /nfs/dbraw/zinc/62/70/70/1075627070.db2.gz GJZOJQAUZMELCL-UHFFFAOYSA-N 0 3 404.511 1.559 20 0 HDADHN Cc1csc([C@@](O)(CC(=O)N(C)CCCN2CCN(C)CC2)C(F)(F)F)n1 ZINC000732113993 1075635497 /nfs/dbraw/zinc/63/54/97/1075635497.db2.gz JXODUQIFCREBAE-INIZCTEOSA-N 0 3 408.490 1.687 20 0 HDADHN CN(CCCN1CCN(C)CC1)C(=O)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000732113006 1075635563 /nfs/dbraw/zinc/63/55/63/1075635563.db2.gz BXIFVBUMNSIBSK-UHFFFAOYSA-N 0 3 404.536 1.592 20 0 HDADHN CCOC(=O)c1cnc(SCC(=O)NC[C@@H](c2ccccc2)N(C)C)nc1N ZINC000592993606 1075641471 /nfs/dbraw/zinc/64/14/71/1075641471.db2.gz CJKNVPYSNZQQSG-HNNXBMFYSA-N 0 3 403.508 1.747 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN3CCC[C@H](N4CCCC4=O)C3)cc2)CC1 ZINC000732212160 1075668842 /nfs/dbraw/zinc/66/88/42/1075668842.db2.gz OLVNVBDLUDTTLX-NRFANRHFSA-N 0 3 413.566 1.854 20 0 HDADHN CC(=O)c1ccc(N2CCN(C(=O)CN(C)[C@@H]3CCN(C4CC4)C3)CC2)c(F)c1 ZINC000732213879 1075669337 /nfs/dbraw/zinc/66/93/37/1075669337.db2.gz IXYMSIMGRQAIHP-LJQANCHMSA-N 0 3 402.514 1.845 20 0 HDADHN COc1ccc(OC)c([C@@H](O)CN2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 ZINC000732204394 1075676183 /nfs/dbraw/zinc/67/61/83/1075676183.db2.gz VDUOSQKZZXFZHN-FQEVSTJZSA-N 0 3 405.539 1.613 20 0 HDADHN CS[C@H]1CN(C(=O)Nc2ccncc2I)C[C@@H]1N(C)C ZINC000546839301 1075688790 /nfs/dbraw/zinc/68/87/90/1075688790.db2.gz MKELUAIZELJNAJ-RYUDHWBXSA-N 0 3 406.293 1.617 20 0 HDADHN C[C@@H]1CN(CCCNc2cc(NCCCN3C[C@H](C)O[C@@H](C)C3)ncn2)C[C@H](C)O1 ZINC000439831672 1075701676 /nfs/dbraw/zinc/70/16/76/1075701676.db2.gz VYDZEKQQQFVCBF-LWYYNNOASA-N 0 3 420.602 2.299 20 0 HDADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000444510356 1075722253 /nfs/dbraw/zinc/72/22/53/1075722253.db2.gz KUBDAPKZKHBAMX-UHFFFAOYSA-N 0 3 415.391 1.955 20 0 HDADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000583842841 1075723059 /nfs/dbraw/zinc/72/30/59/1075723059.db2.gz NSENPMPLUYJTKB-UHFFFAOYSA-N 0 3 403.914 2.480 20 0 HDADHN O=C1CCCN1C[C@@H]1CCCCN1C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000732413214 1075738701 /nfs/dbraw/zinc/73/87/01/1075738701.db2.gz QVHKMYNAHVUMAW-ROUUACIJSA-N 0 3 400.479 1.341 20 0 HDADHN COC(=O)c1ccc(OC[C@H](O)CN2CCCC[C@H]2CN2CCCC2=O)c(OC)c1 ZINC000732413439 1075739465 /nfs/dbraw/zinc/73/94/65/1075739465.db2.gz UWCOHUAESBNDDI-ZWKOTPCHSA-N 0 3 420.506 1.698 20 0 HDADHN CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N(C)[C@H]2CCN(C3CC3)C2)CC1 ZINC000732449465 1075741141 /nfs/dbraw/zinc/74/11/41/1075741141.db2.gz SOEMDYYGJMJEEX-SFHVURJKSA-N 0 3 423.558 1.382 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)N[C@H](c1nccn1C)c1ccccc1OC ZINC000732442022 1075744932 /nfs/dbraw/zinc/74/49/32/1075744932.db2.gz RCZZZUSLELGKQW-LPHOPBHVSA-N 0 3 401.511 1.928 20 0 HDADHN C[C@H](NC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1)[C@H](c1ccccc1)N(C)C ZINC000441710306 1075765093 /nfs/dbraw/zinc/76/50/93/1075765093.db2.gz YWUHPJSDQNMWFF-OXJNMPFZSA-N 0 3 406.490 2.073 20 0 HDADHN CN1CCN(CCNC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1(C)C ZINC000443116816 1075791807 /nfs/dbraw/zinc/79/18/07/1075791807.db2.gz DMNOLOVYQGYLFK-UHFFFAOYSA-N 0 3 418.929 1.606 20 0 HDADHN CN(C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732589503 1075795763 /nfs/dbraw/zinc/79/57/63/1075795763.db2.gz BAOVFEIWXOTXHW-MRXNPFEDSA-N 0 3 400.445 1.966 20 0 HDADHN Cc1noc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)n1 ZINC000509273855 1075796041 /nfs/dbraw/zinc/79/60/41/1075796041.db2.gz JFDHFOZCTCYBLG-INIZCTEOSA-N 0 3 414.466 1.548 20 0 HDADHN C[C@H]1CCCN(CCNC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)C1 ZINC000551045816 1075797857 /nfs/dbraw/zinc/79/78/57/1075797857.db2.gz YFYLPSAXYZKUJQ-AWEZNQCLSA-N 0 3 415.460 1.867 20 0 HDADHN CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H](NC2CCS(=O)(=O)CC2)C1=O ZINC000463282167 1075801952 /nfs/dbraw/zinc/80/19/52/1075801952.db2.gz QMEGPCLXDMAJGL-MSOLQXFVSA-N 0 3 422.547 1.837 20 0 HDADHN CCc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1CC ZINC000487865895 1075804869 /nfs/dbraw/zinc/80/48/69/1075804869.db2.gz FFSHDOUDTHGATJ-UHFFFAOYSA-N 0 3 400.523 1.517 20 0 HDADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000462802395 1075809974 /nfs/dbraw/zinc/80/99/74/1075809974.db2.gz MSBCINGLTBZETE-WMLDXEAASA-N 0 3 422.489 2.019 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CC1 ZINC000732658868 1075819137 /nfs/dbraw/zinc/81/91/37/1075819137.db2.gz CYFGFPMCVRMKIY-ROUUACIJSA-N 0 3 406.433 1.399 20 0 HDADHN CSC[C@H]1CCCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000429285382 1075820393 /nfs/dbraw/zinc/82/03/93/1075820393.db2.gz OBRRRSBPPTTXBJ-HNNXBMFYSA-N 0 3 403.556 1.087 20 0 HDADHN CC(C)Oc1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)nn1 ZINC000551717217 1075857291 /nfs/dbraw/zinc/85/72/91/1075857291.db2.gz DMXKJVOLAVBTQF-UHFFFAOYSA-N 0 3 421.448 2.071 20 0 HDADHN COC(=O)c1ccc(C)c(S(=O)(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)c1 ZINC000611167748 1075865955 /nfs/dbraw/zinc/86/59/55/1075865955.db2.gz QBAXMBMZUGANGV-UHFFFAOYSA-N 0 3 423.579 1.961 20 0 HDADHN NS(=O)(=O)c1cccc(NC(=O)CCN2CCC[C@@H](N3CCCCC3=O)C2)c1 ZINC000732809830 1075872346 /nfs/dbraw/zinc/87/23/46/1075872346.db2.gz YXWYJNYBSSLFNP-MRXNPFEDSA-N 0 3 408.524 1.140 20 0 HDADHN CCN1C[C@@H](C)N(CC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)C[C@H]1C ZINC000611225414 1075880708 /nfs/dbraw/zinc/88/07/08/1075880708.db2.gz WIQIOKORADQSGB-VXGBXAGGSA-N 0 3 411.524 1.983 20 0 HDADHN CC(C)S(=O)(=O)Cc1cccc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)c1 ZINC000732893822 1075895305 /nfs/dbraw/zinc/89/53/05/1075895305.db2.gz GWCWPGUKCOZUTD-INIZCTEOSA-N 0 3 409.552 1.939 20 0 HDADHN CCN1CCc2ccc(NC(=O)C(=O)N3CC[C@H](N4CCN(C(C)C)CC4)C3)cc21 ZINC000611367715 1075914340 /nfs/dbraw/zinc/91/43/40/1075914340.db2.gz SXHSJOZVRJGHHG-FQEVSTJZSA-N 0 3 413.566 1.634 20 0 HDADHN COC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)c1C ZINC000611367722 1075914397 /nfs/dbraw/zinc/91/43/97/1075914397.db2.gz SZIDIJAMVZDHJY-KRWDZBQOSA-N 0 3 416.522 1.347 20 0 HDADHN Cn1c(=O)cc(CN2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)n(C)c1=O ZINC000493629348 1075991989 /nfs/dbraw/zinc/99/19/89/1075991989.db2.gz ARHVXXJNSXTQLJ-LBPRGKRZSA-N 0 3 422.411 1.525 20 0 HDADHN CCN1CCN(CCNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000733162858 1075995569 /nfs/dbraw/zinc/99/55/69/1075995569.db2.gz USHXAXOFMOMOQH-FXBPSFAMSA-N 0 3 407.518 1.606 20 0 HDADHN CCNS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000733162592 1075995583 /nfs/dbraw/zinc/99/55/83/1075995583.db2.gz ZVXUDRQKRNCUQC-OAHLLOKOSA-N 0 3 413.515 1.497 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000733171073 1076001330 /nfs/dbraw/zinc/00/13/30/1076001330.db2.gz VHLMUAMFNUETGT-AWEZNQCLSA-N 0 3 408.597 1.685 20 0 HDADHN COC[C@@H]1CCCN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)C1 ZINC000733184907 1076011972 /nfs/dbraw/zinc/01/19/72/1076011972.db2.gz ZABMRXXMVCVTGD-DENIHFKCSA-N 0 3 400.523 1.889 20 0 HDADHN CNS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C2CCCC2)CC1 ZINC001299303736 1076027902 /nfs/dbraw/zinc/02/79/02/1076027902.db2.gz VPKMFSFWWKJBBI-UHFFFAOYSA-N 0 3 422.555 1.460 20 0 HDADHN CN(C)Cc1ccccc1NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000727102169 1076045244 /nfs/dbraw/zinc/04/52/44/1076045244.db2.gz IPSFHEOFSSFJMJ-UHFFFAOYSA-N 0 3 419.283 1.593 20 0 HDADHN COCCOC(=O)c1sc2[n-]c(CN3CC[C@@H]([NH+]4CCCC4)C3)nc(=O)c2c1C ZINC000727159353 1076071944 /nfs/dbraw/zinc/07/19/44/1076071944.db2.gz KCHLWRUIVTYJAD-CQSZACIVSA-N 0 3 420.535 1.766 20 0 HDADHN CN(C(=O)NCc1ccc(-n2cncn2)nc1)C1CCN(CCc2ccccn2)CC1 ZINC000727225165 1076084459 /nfs/dbraw/zinc/08/44/59/1076084459.db2.gz YGIODNDUCZIFQX-UHFFFAOYSA-N 0 3 420.521 1.906 20 0 HDADHN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000727375732 1076100730 /nfs/dbraw/zinc/10/07/30/1076100730.db2.gz UMCLIONUTLMSNK-SFTDATJTSA-N 0 3 414.550 1.930 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N(CCCN1CCOCC1)Cc1ccncc1 ZINC000733648368 1076140056 /nfs/dbraw/zinc/14/00/56/1076140056.db2.gz IFEHMSWIEPFXJA-NHCUHLMSSA-N 0 3 417.554 1.179 20 0 HDADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000733650369 1076141115 /nfs/dbraw/zinc/14/11/15/1076141115.db2.gz ZGOGSEAQCMARMX-HKUYNNGSSA-N 0 3 402.495 1.766 20 0 HDADHN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN([C@@H](C)C3CC3)C3CC3)C2=O)c1 ZINC000733793695 1076201765 /nfs/dbraw/zinc/20/17/65/1076201765.db2.gz RRLCXHOVFQCBBO-YEJXKQKISA-N 0 3 400.479 1.756 20 0 HDADHN CCn1cc(CN(C)CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)cn1 ZINC000733790320 1076207692 /nfs/dbraw/zinc/20/76/92/1076207692.db2.gz KLZIAPBQZGEZCB-JOCHJYFZSA-N 0 3 410.522 1.879 20 0 HDADHN CC(C)(CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCc2ccccc2C1 ZINC000727768140 1076221664 /nfs/dbraw/zinc/22/16/64/1076221664.db2.gz XNYMOTHGCWPZQW-LJQANCHMSA-N 0 3 414.531 1.670 20 0 HDADHN O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727753120 1076226763 /nfs/dbraw/zinc/22/67/63/1076226763.db2.gz LOUBSABFURINDY-PBHICJAKSA-N 0 3 406.533 1.731 20 0 HDADHN CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000727828816 1076263366 /nfs/dbraw/zinc/26/33/66/1076263366.db2.gz NSTBMTFBLARPGH-IBGZPJMESA-N 0 3 402.539 1.884 20 0 HDADHN CC(C)NC(=O)c1ccccc1NC(=O)CN1CCC(CN2CCOCC2)CC1 ZINC000727832512 1076264220 /nfs/dbraw/zinc/26/42/20/1076264220.db2.gz GFIMFMXTORGZAL-UHFFFAOYSA-N 0 3 402.539 1.808 20 0 HDADHN COCCN1CCC[C@H]1CNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000727838893 1076266315 /nfs/dbraw/zinc/26/63/15/1076266315.db2.gz SWEBZOZZKMMRIK-GJZGRUSLSA-N 0 3 404.964 1.405 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000727853021 1076272455 /nfs/dbraw/zinc/27/24/55/1076272455.db2.gz FCJMUOQRTSWTFW-KBPBESRZSA-N 0 3 420.432 1.090 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](O)C3CCCCC3)cc2)CC1 ZINC000727949689 1076294250 /nfs/dbraw/zinc/29/42/50/1076294250.db2.gz WKKBLNWMOMFFTM-HXUWFJFHSA-N 0 3 402.539 1.824 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000728072242 1076333022 /nfs/dbraw/zinc/33/30/22/1076333022.db2.gz AUMMJCVPZNNXEW-OAQYLSRUSA-N 0 3 409.530 1.981 20 0 HDADHN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000025252532 1076350678 /nfs/dbraw/zinc/35/06/78/1076350678.db2.gz HZUSAMKQWZGOGM-WMZOPIPTSA-N 0 3 417.531 1.753 20 0 HDADHN CC(C)(C)OC(=O)NC1(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CCCC1 ZINC000730218897 1076480022 /nfs/dbraw/zinc/48/00/22/1076480022.db2.gz RXZGGSZSMZGVNI-INIZCTEOSA-N 0 3 408.543 1.765 20 0 HDADHN CC(C)[C@H](C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)N(C)C ZINC000730279680 1076520680 /nfs/dbraw/zinc/52/06/80/1076520680.db2.gz QGQLTQWDQUNLOO-QZTJIDSGSA-N 0 3 424.586 1.891 20 0 HDADHN CC(C)N(CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C[C@H](C)O ZINC000730419150 1076574571 /nfs/dbraw/zinc/57/45/71/1076574571.db2.gz GFOOKIHSXLYURN-MXHVWWQHSA-N 0 3 409.552 1.223 20 0 HDADHN CCOC(=O)C1C(CN(C[C@@H](C)O)C(C)C)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000730420292 1076575067 /nfs/dbraw/zinc/57/50/67/1076575067.db2.gz WWPUAMNDNNWQHH-KUHUBIRLSA-N 0 3 405.495 1.958 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000730538871 1076585589 /nfs/dbraw/zinc/58/55/89/1076585589.db2.gz ASYBAIWGOLUWFF-XUVXKRRUSA-N 0 3 421.563 1.208 20 0 HDADHN O=C(c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)N1CC[C@H](N2CCCCC2)C1 ZINC000730796619 1076652615 /nfs/dbraw/zinc/65/26/15/1076652615.db2.gz MJKWTWBPBWAAIF-INIZCTEOSA-N 0 3 403.504 1.694 20 0 HDADHN COCCN1C(=O)c2ccc(C(=O)N3CC[C@H](N4CCCCC4)C3)cc2S1(=O)=O ZINC000730798349 1076653453 /nfs/dbraw/zinc/65/34/53/1076653453.db2.gz VHAIIVDJQULRSV-INIZCTEOSA-N 0 3 421.519 1.178 20 0 HDADHN CC(C)N1C(=O)c2ccc(C(=O)N3CC[C@H](N4CCCCC4)C3)cc2S1(=O)=O ZINC000730793769 1076661571 /nfs/dbraw/zinc/66/15/71/1076661571.db2.gz KCLFZSRUVAEOBO-INIZCTEOSA-N 0 3 405.520 1.940 20 0 HDADHN CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000730831421 1076664148 /nfs/dbraw/zinc/66/41/48/1076664148.db2.gz JZXNDKFWMPAJAP-QGZVFWFLSA-N 0 3 423.558 1.336 20 0 HDADHN COCCN1CC[C@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC000730841935 1076671076 /nfs/dbraw/zinc/67/10/76/1076671076.db2.gz SBFQZIXIRPLYRP-CVDCTZTESA-N 0 3 424.501 1.444 20 0 HDADHN COCCOC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000730918019 1076691508 /nfs/dbraw/zinc/69/15/08/1076691508.db2.gz BITBWURKONGNCB-SFHVURJKSA-N 0 3 418.494 1.907 20 0 HDADHN O=C(Nc1ccc(-n2cncn2)c(Cl)c1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000730921504 1076693745 /nfs/dbraw/zinc/69/37/45/1076693745.db2.gz UWTLBOYSADHHOS-OAHLLOKOSA-N 0 3 402.886 1.946 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)/C(=C\c1cccc(OC)c1)n1nnnc1C ZINC000731007185 1076709344 /nfs/dbraw/zinc/70/93/44/1076709344.db2.gz IQHOVVUHNKIEFO-AMRJIULGSA-N 0 3 400.483 1.215 20 0 HDADHN CCN1CCN(C(=O)CC2CCN(Cc3ccc(OCC(N)=O)cc3)CC2)CC1 ZINC000731214673 1076748749 /nfs/dbraw/zinc/74/87/49/1076748749.db2.gz NGNJYWLUYSERKG-UHFFFAOYSA-N 0 3 402.539 1.317 20 0 HDADHN COc1ccccc1C[C@](C)(CO)NCc1c(C)nn(CCS(C)(=O)=O)c1C ZINC001560102102 1126208135 /nfs/dbraw/zinc/20/81/35/1126208135.db2.gz DOVBAXVRFGWQBN-HXUWFJFHSA-N 0 3 409.552 1.636 20 0 HDADHN COCCN1CCN(C)C2(CCN(c3ccc(CN(C)C4CC4)cn3)CC2)C1=O ZINC001164644338 719281500 /nfs/dbraw/zinc/28/15/00/719281500.db2.gz JGWDQANSWWUHJA-UHFFFAOYSA-N 0 3 401.555 1.435 20 0 HDADHN CCOC(=O)c1ccc2ncnc(N3CCC4(CCCN4CC(=O)NC)CC3)c2c1 ZINC001164687188 719720300 /nfs/dbraw/zinc/72/03/00/719720300.db2.gz UZIHCBUCZGLCMG-UHFFFAOYSA-N 0 3 411.506 1.987 20 0 HDADHN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(CN(C)C2CC2)cn1 ZINC001164705727 719871934 /nfs/dbraw/zinc/87/19/34/719871934.db2.gz OCWRWKKGYPETHG-SIKLNZKXSA-N 0 3 402.539 1.909 20 0 HDADHN COC[C@H]1CN(CC2CC2)C[C@@]12CCN(c1cc(Cl)nc(S(C)(=O)=O)n1)C2 ZINC001164815380 720067750 /nfs/dbraw/zinc/06/77/50/720067750.db2.gz YWKBDKJPCXRBPU-RDTXWAMCSA-N 0 3 414.959 1.718 20 0 HDADHN Cn1cnc2c1nc(N1CC[C@H]3[C@@H]1CCN3Cc1cccnc1)nc2N1CCOCC1 ZINC001164727855 720360459 /nfs/dbraw/zinc/36/04/59/720360459.db2.gz UQXUYBMKNFKTFE-ROUUACIJSA-N 0 3 420.521 1.448 20 0 HDADHN c1cncc(CN2CC[C@@H]3[C@H]2CCN3c2nc3c(c(N4CCOCC4)n2)CNC3)c1 ZINC001164735404 720425778 /nfs/dbraw/zinc/42/57/78/720425778.db2.gz XAAUZBKOTRNRGA-WOJBJXKFSA-N 0 3 407.522 1.165 20 0 HDADHN CN(C)c1cccc(N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)n1 ZINC001164824126 720434861 /nfs/dbraw/zinc/43/48/61/720434861.db2.gz MKVLTVNPFGUKGT-KRWDZBQOSA-N 0 3 400.527 1.334 20 0 HDADHN Clc1nc2c(Cl)ncnc2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164748285 720793481 /nfs/dbraw/zinc/79/34/81/720793481.db2.gz QILRXBCKISJRQI-MNOVXSKESA-N 0 3 419.276 1.859 20 0 HDADHN O=C(c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1)N1CCOCC1 ZINC001164869942 721050464 /nfs/dbraw/zinc/05/04/64/721050464.db2.gz URUCBFXNLGWQJU-LEWJYISDSA-N 0 3 423.517 1.429 20 0 HDADHN COC(=O)c1nc2cnccc2c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164773933 721154370 /nfs/dbraw/zinc/15/43/70/721154370.db2.gz ZIDWQZQZYPCESR-JKSUJKDBSA-N 0 3 407.478 1.503 20 0 HDADHN CNC(=O)[C@]12CN(c3ccc(CN4CCCC4)cn3)C[C@H]1N(c1ncccn1)CCC2 ZINC001164866487 721206694 /nfs/dbraw/zinc/20/66/94/721206694.db2.gz BJMYAYIOAJLGFM-AUSIDOKSSA-N 0 3 421.549 1.689 20 0 HDADHN CNC(=O)[C@@]12CN(c3ccc(CN(C)C4CC4)cn3)C[C@H]1N(c1ncccn1)CCC2 ZINC001164871363 721207714 /nfs/dbraw/zinc/20/77/14/721207714.db2.gz YRGFRVJSWRKVNN-XXBNENTESA-N 0 3 421.549 1.687 20 0 HDADHN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncnc4c3CCNC4)C2)C1 ZINC001164778675 721340924 /nfs/dbraw/zinc/34/09/24/721340924.db2.gz NPZVTJXCXVTJEB-QFIPXVFZSA-N 0 3 412.538 1.846 20 0 HDADHN COC(=O)c1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)cc1OC ZINC001164890960 721388496 /nfs/dbraw/zinc/38/84/96/721388496.db2.gz PPWBPSJBPIWIPI-HTAPYJJXSA-N 0 3 418.538 1.642 20 0 HDADHN CN(C)Cc1ccnc(N2Cc3nccn3C[C@H](COCC(=O)N3CCCC3)C2)c1 ZINC001164902220 721582417 /nfs/dbraw/zinc/58/24/17/721582417.db2.gz DGTLAXAENHVUNH-IBGZPJMESA-N 0 3 412.538 1.615 20 0 HDADHN Cn1nnc2c1ncnc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164909112 721725148 /nfs/dbraw/zinc/72/51/48/721725148.db2.gz BNNXSLAPSYWQRZ-GOSISDBHSA-N 0 3 400.437 1.891 20 0 HDADHN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(c1ccc(CN(C)C3CC3)cn1)C2 ZINC001165025603 721787819 /nfs/dbraw/zinc/78/78/19/721787819.db2.gz VVIUJVHNMNNODN-QFIPXVFZSA-N 0 3 402.539 1.766 20 0 HDADHN CN(Cc1ccc(N2CC[C@@H]3[C@@H](CO[C@H]3CNC(=O)c3cnn(C)c3)C2)nc1)C1CC1 ZINC001164958372 722032132 /nfs/dbraw/zinc/03/21/32/722032132.db2.gz OQUXEUZJXUNYJE-NRSPTQNISA-N 0 3 424.549 1.681 20 0 HDADHN Cn1ccnc1C(=O)N[C@@H]1CN(c2ccc(CN3CCCC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164980847 722093352 /nfs/dbraw/zinc/09/33/52/722093352.db2.gz NDBHTISJANNRKQ-HBFSDRIKSA-N 0 3 410.522 1.577 20 0 HDADHN NC(=O)c1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164986095 722102083 /nfs/dbraw/zinc/10/20/83/722102083.db2.gz XYUPVCGRKIBSCU-NVXWUHKLSA-N 0 3 401.898 1.956 20 0 HDADHN NC(=O)c1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncc1Cl ZINC001164983417 722103155 /nfs/dbraw/zinc/10/31/55/722103155.db2.gz QAKOZIZJNWPUOO-YJBOKZPZSA-N 0 3 401.898 1.956 20 0 HDADHN NC(=O)c1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001164980828 722103313 /nfs/dbraw/zinc/10/33/13/722103313.db2.gz KOJJHSXZYBTEBN-DOTOQJQBSA-N 0 3 401.898 1.956 20 0 HDADHN COC(=O)c1cc(OC)cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978204 722109187 /nfs/dbraw/zinc/10/91/87/722109187.db2.gz NUNHYSQRMVVIOL-YLJYHZDGSA-N 0 3 412.490 1.999 20 0 HDADHN CN(C)C(=O)Cn1c(=O)ccc2c1CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164991367 722189072 /nfs/dbraw/zinc/18/90/72/722189072.db2.gz PQEHGKOWEBMHSS-UHFFFAOYSA-N 0 3 409.534 1.533 20 0 HDADHN O=C(NC[C@@H]1CSCCN1Cc1ccccc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000429045244 1073460850 /nfs/dbraw/zinc/46/08/50/1073460850.db2.gz SMLRVVONRUBQRY-NHCUHLMSSA-N 0 3 418.607 1.968 20 0 HDADHN CCN(CC)CC(=O)N1CCN(CC(=O)N(C)Cc2ccc(SC)cc2)CC1 ZINC000509081910 1073485544 /nfs/dbraw/zinc/48/55/44/1073485544.db2.gz IPBYRBBVDRJEDK-UHFFFAOYSA-N 0 3 406.596 1.853 20 0 HDADHN CC(C)NS(=O)(=O)CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509105970 1073537922 /nfs/dbraw/zinc/53/79/22/1073537922.db2.gz HICCSVGKMCCKDH-QGZVFWFLSA-N 0 3 421.485 1.885 20 0 HDADHN O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)NC[C@@H]1CCCCN1C1CC1 ZINC000429106118 1073589555 /nfs/dbraw/zinc/58/95/55/1073589555.db2.gz XRBGTIZWPITDSA-AEFFLSMTSA-N 0 3 412.542 1.657 20 0 HDADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CCc3nc(-c4ccccc4)ncc3C2)CC1=O ZINC000673657129 1073590125 /nfs/dbraw/zinc/59/01/25/1073590125.db2.gz SVXSJRSUXHJUCE-MOPGFXCFSA-N 0 3 407.518 1.527 20 0 HDADHN Cc1cccc(N2CCN(CCC(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)CC2)c1 ZINC000673661564 1073615656 /nfs/dbraw/zinc/61/56/56/1073615656.db2.gz INFFSGPLSRTXRW-FCHUYYIVSA-N 0 3 400.567 1.565 20 0 HDADHN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000673668656 1073621776 /nfs/dbraw/zinc/62/17/76/1073621776.db2.gz PWGQGTYAZVFWLE-QGZVFWFLSA-N 0 3 400.523 1.516 20 0 HDADHN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@H]1CCCCN1Cc1ccccc1 ZINC000673672474 1073626925 /nfs/dbraw/zinc/62/69/25/1073626925.db2.gz ICOQYMUFYQWJDW-FGZHOGPDSA-N 0 3 400.567 1.564 20 0 HDADHN CN(C(=O)NCCCN1CCCS1(=O)=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000673705160 1073645718 /nfs/dbraw/zinc/64/57/18/1073645718.db2.gz NAQIGBWTMHOHHQ-LJQANCHMSA-N 0 3 408.568 1.718 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000673757544 1073691812 /nfs/dbraw/zinc/69/18/12/1073691812.db2.gz CEAYZEYIHKHCIK-QGZVFWFLSA-N 0 3 417.531 1.836 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CC1 ZINC000673817279 1073772339 /nfs/dbraw/zinc/77/23/39/1073772339.db2.gz RDIHRACWGBWNTO-PMACEKPBSA-N 0 3 402.514 1.731 20 0 HDADHN CC(C)NS(=O)(=O)NCCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000429151154 1073789509 /nfs/dbraw/zinc/78/95/09/1073789509.db2.gz QKDOWQHGRYXVQS-KRWDZBQOSA-N 0 3 411.572 1.125 20 0 HDADHN C[C@H]1C[C@H](NC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CN1Cc1ccccc1 ZINC000466541963 1073799300 /nfs/dbraw/zinc/79/93/00/1073799300.db2.gz SSZGIYJEKYGUOR-YOEHRIQHSA-N 0 3 422.489 1.417 20 0 HDADHN O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@H]2CCCN2c2ncccn2)cc1 ZINC000673839353 1073803248 /nfs/dbraw/zinc/80/32/48/1073803248.db2.gz ZXGSROZFRNWHDN-LJQANCHMSA-N 0 3 408.506 1.910 20 0 HDADHN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000673839862 1073805366 /nfs/dbraw/zinc/80/53/66/1073805366.db2.gz HDODZXYCFAVNQN-SFTDATJTSA-N 0 3 404.530 1.313 20 0 HDADHN CN(C)c1nc(CNC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)cs1 ZINC000673850610 1073816478 /nfs/dbraw/zinc/81/64/78/1073816478.db2.gz KYAJCBLQALUBHK-UHFFFAOYSA-N 0 3 402.568 1.956 20 0 HDADHN CCOc1cc(CN[C@H](CC(N)=O)C2CCOCC2)nc2nc(C(F)(F)F)nn21 ZINC000543492725 1073823695 /nfs/dbraw/zinc/82/36/95/1073823695.db2.gz AXXSVBHNUFRCOH-GFCCVEGCSA-N 0 3 416.404 1.302 20 0 HDADHN NC(=O)C[C@H](NCC(=O)Nc1cc(-n2cnnn2)ccc1Cl)C1CCCCC1 ZINC000543494720 1073836347 /nfs/dbraw/zinc/83/63/47/1073836347.db2.gz PUDMCZZNJLNVSF-HNNXBMFYSA-N 0 3 405.890 1.668 20 0 HDADHN COc1cc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc(Br)c1[O-] ZINC000673930025 1073903015 /nfs/dbraw/zinc/90/30/15/1073903015.db2.gz DXKJGGQQTOZDNE-DIFFPNOSSA-N 0 3 412.284 1.973 20 0 HDADHN COc1cc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc(Br)c1[O-] ZINC000673930026 1073903516 /nfs/dbraw/zinc/90/35/16/1073903516.db2.gz DXKJGGQQTOZDNE-GTNSWQLSSA-N 0 3 412.284 1.973 20 0 HDADHN CN1CCN([C@@H](C(=O)N2CCC[C@@H](N3CCOCC3)CC2)c2ccccc2)CC1 ZINC000670443957 1073990218 /nfs/dbraw/zinc/99/02/18/1073990218.db2.gz YJCJXTPOICXKBO-FGZHOGPDSA-N 0 3 400.567 1.688 20 0 HDADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000466597672 1074060191 /nfs/dbraw/zinc/06/01/91/1074060191.db2.gz OYSNDKGBZVAZDG-ANULTFPQSA-N 0 3 414.550 1.896 20 0 HDADHN C[C@H](NCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)[C@@H]1COc2ccccc21 ZINC000543555488 1074082654 /nfs/dbraw/zinc/08/26/54/1074082654.db2.gz TYVHXJLTFZZQJF-DWRORGKVSA-N 0 3 422.547 1.335 20 0 HDADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000543578060 1074159892 /nfs/dbraw/zinc/15/98/92/1074159892.db2.gz TXBUUYUJFJOTNQ-NJDAHSKKSA-N 0 3 411.502 1.862 20 0 HDADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)C1 ZINC000674193585 1074207900 /nfs/dbraw/zinc/20/79/00/1074207900.db2.gz ALCCBEHYYDXKLY-LJQANCHMSA-N 0 3 424.501 1.612 20 0 HDADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@@H](c4cc[nH]n4)C3)cc2)CC1 ZINC000674198048 1074211967 /nfs/dbraw/zinc/21/19/67/1074211967.db2.gz ISVOEHCWHMUMHP-LJQANCHMSA-N 0 3 424.549 1.892 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H](CCO)C3)c(C)c2)CC1 ZINC000674205917 1074220459 /nfs/dbraw/zinc/22/04/59/1074220459.db2.gz MEEOYFYDFXXHAU-SFHVURJKSA-N 0 3 402.539 1.696 20 0 HDADHN O=C(NCc1ccc(COC2CCOCC2)cc1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000674255262 1074241052 /nfs/dbraw/zinc/24/10/52/1074241052.db2.gz AGZZCRYKFMVFKO-HXUWFJFHSA-N 0 3 415.534 1.695 20 0 HDADHN Cc1ccc(NC(=O)CN2CC[C@H](N(C)Cc3ccccc3)C2)cc1S(N)(=O)=O ZINC000674250755 1074243339 /nfs/dbraw/zinc/24/33/39/1074243339.db2.gz GQBCUQMMWAIALQ-IBGZPJMESA-N 0 3 416.547 1.787 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 ZINC000674311166 1074267914 /nfs/dbraw/zinc/26/79/14/1074267914.db2.gz VFIBBNKFPYRXFH-INIZCTEOSA-N 0 3 415.581 1.518 20 0 HDADHN COC1CCN(CCNC(=O)CN(C)C(=O)c2ccc(Br)s2)CC1 ZINC000674309600 1074268080 /nfs/dbraw/zinc/26/80/80/1074268080.db2.gz CUIZHRBOOLSGHD-UHFFFAOYSA-N 0 3 418.357 1.810 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CC1 ZINC000674311163 1074268098 /nfs/dbraw/zinc/26/80/98/1074268098.db2.gz ZXQIWXLEZBQCQF-HXUWFJFHSA-N 0 3 404.486 1.581 20 0 HDADHN CCCCNS(=O)(=O)c1cccc(NC(=O)NCCN2CCC(OC)CC2)c1 ZINC000674314347 1074270524 /nfs/dbraw/zinc/27/05/24/1074270524.db2.gz JQNIKODLPPRAPL-UHFFFAOYSA-N 0 3 412.556 1.997 20 0 HDADHN COC1CCN(CCNC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000674323347 1074273832 /nfs/dbraw/zinc/27/38/32/1074273832.db2.gz BGCWIBCGFCMNGQ-FHWLQOOXSA-N 0 3 405.539 1.579 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CC1 ZINC000674325137 1074273844 /nfs/dbraw/zinc/27/38/44/1074273844.db2.gz VDGCBBCZYZCMTE-QGZVFWFLSA-N 0 3 413.522 1.642 20 0 HDADHN COC1CCN(CCNC(=O)NCc2cccc(OCCN3CCOCC3)c2)CC1 ZINC000674326397 1074276962 /nfs/dbraw/zinc/27/69/62/1074276962.db2.gz CGQCJMXNWCWELU-UHFFFAOYSA-N 0 3 420.554 1.308 20 0 HDADHN COC1CCN(CCNC(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)CC1 ZINC000674329919 1074279028 /nfs/dbraw/zinc/27/90/28/1074279028.db2.gz UTOJMRWPCWMGOE-GOSISDBHSA-N 0 3 404.559 1.002 20 0 HDADHN CC(C)(C(N)=O)N1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000674329679 1074279172 /nfs/dbraw/zinc/27/91/72/1074279172.db2.gz KABOAGOYCWEPDP-IBGZPJMESA-N 0 3 401.555 1.805 20 0 HDADHN COC1CCN(CCNC(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)CC1 ZINC000674329798 1074279480 /nfs/dbraw/zinc/27/94/80/1074279480.db2.gz OEYPZARUJTUWSE-IBGZPJMESA-N 0 3 403.571 1.607 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)N(C)CCN3CCCS3(=O)=O)c(C)c2)CC1 ZINC000674417843 1074318705 /nfs/dbraw/zinc/31/87/05/1074318705.db2.gz MJZFCXRHTLPKGP-UHFFFAOYSA-N 0 3 423.583 1.636 20 0 HDADHN CC1CCC(N2CCN(C(=O)NC[C@@H]3CCC[C@]34NC(=O)N(C)C4=O)CC2)CC1 ZINC000674441935 1074354398 /nfs/dbraw/zinc/35/43/98/1074354398.db2.gz XSAGXQPGHGDMCV-QNWVBBQJSA-N 0 3 405.543 1.613 20 0 HDADHN CCN1C(=O)[C@@H]2CN(CCC(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000674473025 1074370502 /nfs/dbraw/zinc/37/05/02/1074370502.db2.gz RCFZNVITMSWIAI-AWEZNQCLSA-N 0 3 409.284 1.746 20 0 HDADHN CCn1nc2c(cc1=O)CN(C(=O)NCC1(N3CCSCC3)CCCC1)CC2 ZINC000674615393 1074484894 /nfs/dbraw/zinc/48/48/94/1074484894.db2.gz NKMWETGZPRCODO-UHFFFAOYSA-N 0 3 405.568 1.693 20 0 HDADHN CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCC2(N3CCSCC3)CCCC2)C1=O ZINC000674614662 1074485262 /nfs/dbraw/zinc/48/52/62/1074485262.db2.gz FCXBXNOGVDDZDI-FOIQADDNSA-N 0 3 423.583 1.368 20 0 HDADHN C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2cccs2)C(=O)N1c1cnn(C)c1 ZINC000674636951 1074491348 /nfs/dbraw/zinc/49/13/48/1074491348.db2.gz WAGSAOXTWDJALE-WMLDXEAASA-N 0 3 404.540 1.749 20 0 HDADHN CNc1nnc(CC(=O)NCCCCN2CCN(Cc3ccccc3)CC2)s1 ZINC000546798199 1074667820 /nfs/dbraw/zinc/66/78/20/1074667820.db2.gz GSKLAEGYIUFHEY-UHFFFAOYSA-N 0 3 402.568 1.837 20 0 HDADHN COC1CCN(CCNC(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 ZINC000674996952 1074674092 /nfs/dbraw/zinc/67/40/92/1074674092.db2.gz NTBOBOOGMISVDI-LJQANCHMSA-N 0 3 402.539 1.630 20 0 HDADHN CCN1C(=O)[C@H]2CN(C(=O)NCC3(N4CCSCC4)CCCC3)CCN2C1=O ZINC000675089457 1074712643 /nfs/dbraw/zinc/71/26/43/1074712643.db2.gz AIJFRFCPTCZSFS-OAHLLOKOSA-N 0 3 409.556 1.026 20 0 HDADHN COCCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000675112714 1074717704 /nfs/dbraw/zinc/71/77/04/1074717704.db2.gz SLOZODRAYHMGDI-YLJYHZDGSA-N 0 3 402.539 1.834 20 0 HDADHN Cc1c(C(=O)N[C@H]2CCCCC[C@H]2C(N)=O)nnn1-c1cccc2c1CCN(C)C2 ZINC000675134247 1074727699 /nfs/dbraw/zinc/72/76/99/1074727699.db2.gz DYTXDFINRSKKDB-MSOLQXFVSA-N 0 3 410.522 1.728 20 0 HDADHN COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)C1=O ZINC000675127680 1074733338 /nfs/dbraw/zinc/73/33/38/1074733338.db2.gz NMHCPYQANDVCDD-IAGOWNOFSA-N 0 3 416.522 1.153 20 0 HDADHN Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC(C)C)C2=O)cc1 ZINC000675152875 1074738305 /nfs/dbraw/zinc/73/83/05/1074738305.db2.gz UTFYLKHWIDWMKB-LJQANCHMSA-N 0 3 402.539 1.258 20 0 HDADHN Cc1cc(Br)ncc1NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000766096425 1074754340 /nfs/dbraw/zinc/75/43/40/1074754340.db2.gz SYAOCCJRENBZAB-CQSZACIVSA-N 0 3 410.316 1.923 20 0 HDADHN CN1CCN(CCNC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1(C)C ZINC000670496683 1074755104 /nfs/dbraw/zinc/75/51/04/1074755104.db2.gz XAHOQKVVDPKZNN-UHFFFAOYSA-N 0 3 415.365 1.794 20 0 HDADHN CC(C)(CNCc1ccc(OCCN2CCOCC2)c(Cl)c1)NS(C)(=O)=O ZINC000675239429 1074769721 /nfs/dbraw/zinc/76/97/21/1074769721.db2.gz MBWOKEYCSAMMGT-UHFFFAOYSA-N 0 3 419.975 1.468 20 0 HDADHN O=C(NC[C@H]1CCCN1Cc1ccccc1)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000524480250 1074797130 /nfs/dbraw/zinc/79/71/30/1074797130.db2.gz UGSHSEKTGAHKRO-LJQANCHMSA-N 0 3 404.474 1.987 20 0 HDADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCC[C@@H](C)C1 ZINC000675317764 1074797795 /nfs/dbraw/zinc/79/77/95/1074797795.db2.gz BAFHFANKJPBFAB-VKJFTORMSA-N 0 3 420.941 1.798 20 0 HDADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000675403209 1075127204 /nfs/dbraw/zinc/12/72/04/1075127204.db2.gz CARYXPFQRNGJNC-CXAGYDPISA-N 0 3 424.904 1.691 20 0 HDADHN C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000485761896 1075127576 /nfs/dbraw/zinc/12/75/76/1075127576.db2.gz LWEUHMMVSMKUTQ-APWZRJJASA-N 0 3 408.568 1.035 20 0 HDADHN C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)n1 ZINC000675405487 1075131376 /nfs/dbraw/zinc/13/13/76/1075131376.db2.gz QBGJUEINEILHJJ-QRWLVFNGSA-N 0 3 401.536 1.984 20 0 HDADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC2(CN(C)C)CCC2)c1 ZINC000509245372 1075143390 /nfs/dbraw/zinc/14/33/90/1075143390.db2.gz CMAREAJOBKEGIK-UHFFFAOYSA-N 0 3 403.570 1.480 20 0 HDADHN O=C(Nc1ccn(-c2ccccc2)n1)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000463992217 1075157336 /nfs/dbraw/zinc/15/73/36/1075157336.db2.gz FMYDBZVSORHISS-LJQANCHMSA-N 0 3 405.458 2.016 20 0 HDADHN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000429349556 1075162764 /nfs/dbraw/zinc/16/27/64/1075162764.db2.gz NJBODGPAXZOQOJ-KRWDZBQOSA-N 0 3 405.543 1.367 20 0 HDADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000144182283 1075164580 /nfs/dbraw/zinc/16/45/80/1075164580.db2.gz JRCNHHWKHMBLIW-DLBZAZTESA-N 0 3 412.534 1.916 20 0 HDADHN CN(C)C[C@@H]1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)c2ccccc2O1 ZINC000675472530 1075166856 /nfs/dbraw/zinc/16/68/56/1075166856.db2.gz PBZQMCYHYNCISX-OAHLLOKOSA-N 0 3 400.464 1.180 20 0 HDADHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)c2ccccc2O1 ZINC000675471499 1075167677 /nfs/dbraw/zinc/16/76/77/1075167677.db2.gz HXBKJICSRAADKA-OAHLLOKOSA-N 0 3 400.464 1.180 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c2ccccc2O1 ZINC000675492640 1075177000 /nfs/dbraw/zinc/17/70/00/1075177000.db2.gz YPCRCMSSDUUWLX-QGZVFWFLSA-N 0 3 415.515 1.978 20 0 HDADHN Cc1c(C(=O)NC[C@@H](CO)Cc2ccco2)nnn1-c1cccc2c1CCN(C)C2 ZINC000675515799 1075181526 /nfs/dbraw/zinc/18/15/26/1075181526.db2.gz ADNBCAGIYWSDSN-INIZCTEOSA-N 0 3 409.490 1.738 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000675538058 1075195147 /nfs/dbraw/zinc/19/51/47/1075195147.db2.gz AXYVCTBNJIARPC-IBGZPJMESA-N 0 3 421.563 1.844 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000675539135 1075195604 /nfs/dbraw/zinc/19/56/04/1075195604.db2.gz WXDKTKBLUQHAMX-HOTGVXAUSA-N 0 3 413.565 1.271 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2nnc(CC(F)(F)F)s2)CC1 ZINC000483985829 1075198582 /nfs/dbraw/zinc/19/85/82/1075198582.db2.gz LUVLAESGVGVOAT-UHFFFAOYSA-N 0 3 408.450 1.661 20 0 HDADHN O=C(NCCn1c(=O)[nH]c2ccccc21)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000429357862 1075199711 /nfs/dbraw/zinc/19/97/11/1075199711.db2.gz XNHPUQXHABXWCC-JOCHJYFZSA-N 0 3 409.490 1.678 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675558546 1075202966 /nfs/dbraw/zinc/20/29/66/1075202966.db2.gz LGFQNTQARSKTFJ-ROUUACIJSA-N 0 3 407.559 1.019 20 0 HDADHN CN(C(=O)COc1ccc(S(N)(=O)=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000675606909 1075223561 /nfs/dbraw/zinc/22/35/61/1075223561.db2.gz BCKIMYOMYRTXDM-KRWDZBQOSA-N 0 3 403.504 1.446 20 0 HDADHN CCN1CCN(c2cccc(NC(=O)C(=O)Nc3ccn(CC(F)F)n3)c2)CC1 ZINC000558534024 1075235036 /nfs/dbraw/zinc/23/50/36/1075235036.db2.gz UEBNWQIKHHPCSM-UHFFFAOYSA-N 0 3 406.437 1.867 20 0 HDADHN CO[C@@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1Cl ZINC000675659752 1075250794 /nfs/dbraw/zinc/25/07/94/1075250794.db2.gz YCKOJTQEPPVFEA-SFHVURJKSA-N 0 3 408.930 1.977 20 0 HDADHN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000509359760 1075250851 /nfs/dbraw/zinc/25/08/51/1075250851.db2.gz YRNABDHGYXICAV-CYBMUJFWSA-N 0 3 407.458 1.880 20 0 HDADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC(F)(F)C3)c2)CC1 ZINC000675704575 1075257565 /nfs/dbraw/zinc/25/75/65/1075257565.db2.gz NMFWAXGJTDMUFP-MRXNPFEDSA-N 0 3 408.449 1.626 20 0 HDADHN CCCCn1c(N)c(N(C)CCCN2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O ZINC000509367371 1075269417 /nfs/dbraw/zinc/26/94/17/1075269417.db2.gz SSXBBGLQHCFFAN-UHFFFAOYSA-N 0 3 414.554 1.980 20 0 HDADHN CC(C)N1CCN(c2ccc(C(=O)N3CCS(=O)(=O)C[C@H]3C3CC3)cc2)CC1 ZINC001129105480 1075283935 /nfs/dbraw/zinc/28/39/35/1075283935.db2.gz RXGCEYNUVGVJTN-FQEVSTJZSA-N 0 3 405.564 1.866 20 0 HDADHN Cc1cc(C)c(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(Cl)c1 ZINC000675937436 1075298601 /nfs/dbraw/zinc/29/86/01/1075298601.db2.gz STWFKLWAPHIHSE-INIZCTEOSA-N 0 3 406.914 1.660 20 0 HDADHN CN1CCC2(CC1)NC(=O)N(CN1CCC(NC(=O)CC3CCCC3)CC1)C2=O ZINC000731352875 1075316213 /nfs/dbraw/zinc/31/62/13/1075316213.db2.gz UYDJDEVFXIEHKX-UHFFFAOYSA-N 0 3 405.543 1.121 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)CC1 ZINC000675996480 1075320123 /nfs/dbraw/zinc/32/01/23/1075320123.db2.gz FSPSIXZCUZPTND-VQTJNVASSA-N 0 3 410.522 1.572 20 0 HDADHN CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)c2ccc3c(C=O)[nH]nc3c2)C1 ZINC000766191006 1075324400 /nfs/dbraw/zinc/32/44/00/1075324400.db2.gz XIWQBDQFWUSCIR-HNNXBMFYSA-N 0 3 402.451 1.005 20 0 HDADHN CCN1CCN(c2ccc(C(=O)N3CC[C@H](C(=O)OC)C[C@H]3C(=O)OC)cc2)CC1 ZINC000509381676 1075353730 /nfs/dbraw/zinc/35/37/30/1075353730.db2.gz WZKPGBPPLOTUBT-HKUYNNGSSA-N 0 3 417.506 1.395 20 0 HDADHN CNC(=O)c1ccc(CNC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)cc1 ZINC000731460147 1075355695 /nfs/dbraw/zinc/35/56/95/1075355695.db2.gz PDJZPKBRMXOQOE-UHFFFAOYSA-N 0 3 418.501 1.853 20 0 HDADHN O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000676095120 1075357929 /nfs/dbraw/zinc/35/79/29/1075357929.db2.gz GVEMFMUFFULAFF-ZDUSSCGKSA-N 0 3 422.411 1.825 20 0 HDADHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000804087441 1075377931 /nfs/dbraw/zinc/37/79/31/1075377931.db2.gz JLHMAKKSYMQTGD-GVDBMIGSSA-N 0 3 408.543 1.539 20 0 HDADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000804089286 1075384492 /nfs/dbraw/zinc/38/44/92/1075384492.db2.gz VQJXTVJZINSFRJ-IAGOWNOFSA-N 0 3 412.575 1.985 20 0 HDADHN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N1CCCN(C[C@@H]3CCCO3)CC1)C2=O ZINC000676113479 1075386744 /nfs/dbraw/zinc/38/67/44/1075386744.db2.gz SFTJFGWEROMSIA-HTAPYJJXSA-N 0 3 420.554 1.591 20 0 HDADHN O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000676131691 1075391135 /nfs/dbraw/zinc/39/11/35/1075391135.db2.gz UBFQYYWWJCTNAB-GHTZIAJQSA-N 0 3 408.502 1.977 20 0 HDADHN O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000676131693 1075391210 /nfs/dbraw/zinc/39/12/10/1075391210.db2.gz UBFQYYWWJCTNAB-RXVVDRJESA-N 0 3 408.502 1.977 20 0 HDADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000804094181 1075394629 /nfs/dbraw/zinc/39/46/29/1075394629.db2.gz SPQBHROVLXQXTK-ZACQAIPSSA-N 0 3 410.559 1.929 20 0 HDADHN Cc1c(C(=O)N2CCC(OCCCO)CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000676174718 1075412108 /nfs/dbraw/zinc/41/21/08/1075412108.db2.gz BJEFLZDLMIYMSE-UHFFFAOYSA-N 0 3 413.522 1.567 20 0 HDADHN CN(C)CCN(Cc1ccccc1F)C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000676193424 1075431422 /nfs/dbraw/zinc/43/14/22/1075431422.db2.gz FWFXGZZEEDKBGZ-UHFFFAOYSA-N 0 3 409.483 1.442 20 0 HDADHN Cc1cccc(N2CCN(CCCCNC(=O)N[C@@H](C)[C@@H]3CN(C)CCO3)CC2)c1 ZINC000676243170 1075444923 /nfs/dbraw/zinc/44/49/23/1075444923.db2.gz JVKFDXUZKQNUCC-UNMCSNQZSA-N 0 3 417.598 1.916 20 0 HDADHN C[C@@H](NC(=O)NCCCCN1CCN(c2ccccc2)CC1)[C@H]1CN(C)CCO1 ZINC000676243387 1075445840 /nfs/dbraw/zinc/44/58/40/1075445840.db2.gz LQNQVIXIXMUXOF-TZIWHRDSSA-N 0 3 403.571 1.607 20 0 HDADHN Cc1cccc(N2CCN(CCCNC(=O)N[C@H](C)[C@H]3CN(C)CCO3)CC2)c1 ZINC000676243652 1075445908 /nfs/dbraw/zinc/44/59/08/1075445908.db2.gz RGSVZQLRGCKOPZ-TZIWHRDSSA-N 0 3 403.571 1.525 20 0 HDADHN COc1ccc([C@H](CN(C)C)NC(=O)CSCC(=O)Nc2cc(C)on2)cc1 ZINC000568423407 1075456638 /nfs/dbraw/zinc/45/66/38/1075456638.db2.gz RUKNSIOQYDVEEL-INIZCTEOSA-N 0 3 406.508 2.082 20 0 HDADHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)Nc1ccn(C)n1 ZINC000448539506 1075480141 /nfs/dbraw/zinc/48/01/41/1075480141.db2.gz VMOQNSDERKUJSP-KRWDZBQOSA-N 0 3 407.478 1.949 20 0 HDADHN Cc1ccc([C@H](CNC(=O)N2CCN(CC(=O)N(C)C)CC2)N2CCCC2)cc1 ZINC000676291804 1075495950 /nfs/dbraw/zinc/49/59/50/1075495950.db2.gz HVHAAEDJCZMWNJ-FQEVSTJZSA-N 0 3 401.555 1.547 20 0 HDADHN CC1CCN([C@@H](CNC(=O)N2CCN(CC(=O)N(C)C)CC2)c2ccccc2)CC1 ZINC000676293535 1075497705 /nfs/dbraw/zinc/49/77/05/1075497705.db2.gz OFKIPCBENMJOKU-NRFANRHFSA-N 0 3 415.582 1.875 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000676341463 1075515609 /nfs/dbraw/zinc/51/56/09/1075515609.db2.gz QSBXQPOPECTPLA-SFHVURJKSA-N 0 3 407.536 1.358 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000676343829 1075517100 /nfs/dbraw/zinc/51/71/00/1075517100.db2.gz BRHSKUXYFKRVCM-GOSISDBHSA-N 0 3 407.536 1.454 20 0 HDADHN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000676345105 1075517960 /nfs/dbraw/zinc/51/79/60/1075517960.db2.gz WJADZYXAGGCXNR-GHTZIAJQSA-N 0 3 416.497 1.724 20 0 HDADHN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NC1CCN([C@@H]3CCOC3)CC1)C2=O ZINC000676345120 1075517997 /nfs/dbraw/zinc/51/79/97/1075517997.db2.gz WMQHCFOUNNPIBG-IIBYNOLFSA-N 0 3 406.527 1.247 20 0 HDADHN O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCN([C@H]2CCOC2)CC1)c1cccnc1 ZINC000676345935 1075519061 /nfs/dbraw/zinc/51/90/61/1075519061.db2.gz XZQYJTXZTOLGGR-VXKWHMMOSA-N 0 3 422.529 1.792 20 0 HDADHN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)ccc1Br ZINC000731851115 1075533439 /nfs/dbraw/zinc/53/34/39/1075533439.db2.gz HPJFRRDVECAEIV-LLVKDONJSA-N 0 3 405.314 1.950 20 0 HDADHN Cc1cc(NC(=O)C(=O)NCc2cocn2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000676453589 1075558864 /nfs/dbraw/zinc/55/88/64/1075558864.db2.gz YORBGHURAAMRBR-SFHVURJKSA-N 0 3 408.462 1.881 20 0 HDADHN Cc1cc(NC(=O)C(=O)NCC2(CO)CC2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000676453543 1075559035 /nfs/dbraw/zinc/55/90/35/1075559035.db2.gz QCBVXEDZLSUSAM-GOSISDBHSA-N 0 3 411.506 1.466 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)C2(OCc3ccccc3)CCOCC2)CC1 ZINC000676471176 1075562608 /nfs/dbraw/zinc/56/26/08/1075562608.db2.gz ASWDPBIUPDVHFL-FQEVSTJZSA-N 0 3 415.534 1.693 20 0 HDADHN CCn1nc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1C1CC1 ZINC000437245975 1075567689 /nfs/dbraw/zinc/56/76/89/1075567689.db2.gz LWKNWTDNLRQDDN-UHFFFAOYSA-N 0 3 401.486 2.448 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H](c2ccccc2OC)N(C)C)CC1 ZINC000509417704 1075574424 /nfs/dbraw/zinc/57/44/24/1075574424.db2.gz QGLYZHMFLDTXAW-LJQANCHMSA-N 0 3 419.570 1.494 20 0 HDADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)C1 ZINC000676551009 1075584376 /nfs/dbraw/zinc/58/43/76/1075584376.db2.gz GQOWGELSXSOHSO-OAQYLSRUSA-N 0 3 418.501 1.998 20 0 HDADHN CNC(=O)c1cncc(/C=C\C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000732058169 1075597386 /nfs/dbraw/zinc/59/73/86/1075597386.db2.gz XMZQWPNCMPYCAR-MZMPXXGTSA-N 0 3 421.545 1.949 20 0 HDADHN CNC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)c1OC ZINC000509423710 1075604393 /nfs/dbraw/zinc/60/43/93/1075604393.db2.gz XBEFPNRGJDKEFS-LBPRGKRZSA-N 0 3 403.932 1.671 20 0 HDADHN NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)sc1Br ZINC000732085616 1075620435 /nfs/dbraw/zinc/62/04/35/1075620435.db2.gz REMLYDUZXQUUIK-SNVBAGLBSA-N 0 3 422.370 1.858 20 0 HDADHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000732115223 1075628214 /nfs/dbraw/zinc/62/82/14/1075628214.db2.gz ZPTWWALZVYFTQD-UHFFFAOYSA-N 0 3 419.547 1.963 20 0 HDADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CC1 ZINC000676659498 1075640850 /nfs/dbraw/zinc/64/08/50/1075640850.db2.gz RFPSJUZNZDCVMD-MRXNPFEDSA-N 0 3 419.489 1.943 20 0 HDADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000676722393 1075667526 /nfs/dbraw/zinc/66/75/26/1075667526.db2.gz FHZKSWLRSLUZRL-HZPDHXFCSA-N 0 3 414.597 1.854 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN3CCC[C@@H](N4CCCC4=O)C3)cc2)CC1 ZINC000732212161 1075668967 /nfs/dbraw/zinc/66/89/67/1075668967.db2.gz OLVNVBDLUDTTLX-OAQYLSRUSA-N 0 3 413.566 1.854 20 0 HDADHN CN1CCN(C(=O)CC2CCN(CCC(=O)Nc3sccc3C(N)=O)CC2)CC1 ZINC000732203495 1075675696 /nfs/dbraw/zinc/67/56/96/1075675696.db2.gz BFAVHLVUAPAOPO-UHFFFAOYSA-N 0 3 421.567 1.052 20 0 HDADHN C[C@@H](CNC(=O)NCCNS(=O)(=O)Cc1ccccc1)N(C)Cc1ccccc1 ZINC000732249561 1075680284 /nfs/dbraw/zinc/68/02/84/1075680284.db2.gz TUGWYSPRAVENBX-SFHVURJKSA-N 0 3 418.563 1.926 20 0 HDADHN CCc1ccccc1Nc1nc(N)nc(CN2CC[C@H](N3CCN(C(C)C)CC3)C2)n1 ZINC000533308345 1075685464 /nfs/dbraw/zinc/68/54/64/1075685464.db2.gz BAZNCMSPLQPPSC-IBGZPJMESA-N 0 3 424.597 1.782 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000509435890 1075685579 /nfs/dbraw/zinc/68/55/79/1075685579.db2.gz JPAFGNGCWFDXEA-UHFFFAOYSA-N 0 3 424.929 1.807 20 0 HDADHN CCN1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000732292817 1075700908 /nfs/dbraw/zinc/70/09/08/1075700908.db2.gz ACWWPAUHEQBOIF-CQSZACIVSA-N 0 3 408.549 1.902 20 0 HDADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)Nc3nnc(C(C)(C)C)s3)CC2)C[C@H](C)O1 ZINC000588734901 1075701382 /nfs/dbraw/zinc/70/13/82/1075701382.db2.gz SGHAKRNYIRFPHM-OKILXGFUSA-N 0 3 423.583 2.122 20 0 HDADHN CN(C)C(=O)Cn1ccc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)n1 ZINC000471279617 1075701804 /nfs/dbraw/zinc/70/18/04/1075701804.db2.gz WUHOSZYVXKAOOJ-UHFFFAOYSA-N 0 3 416.448 1.898 20 0 HDADHN O=C(NCCCCN1CCN(c2ccccc2)CC1)N[C@H]1CCCS(=O)(=O)C1 ZINC000543685046 1075703634 /nfs/dbraw/zinc/70/36/34/1075703634.db2.gz DQLDEUMKJSLMEZ-SFHVURJKSA-N 0 3 408.568 1.465 20 0 HDADHN O=S(=O)([N-]CC[NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1F ZINC000509440012 1075719337 /nfs/dbraw/zinc/71/93/37/1075719337.db2.gz QXCORPYIZULGJU-UHFFFAOYSA-N 0 3 401.401 1.859 20 0 HDADHN CCCNC(=O)CCC(=O)OCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000732352499 1075720218 /nfs/dbraw/zinc/72/02/18/1075720218.db2.gz KEVHMWVKEXUQCP-UHFFFAOYSA-N 0 3 403.523 1.879 20 0 HDADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438321452 1075722634 /nfs/dbraw/zinc/72/26/34/1075722634.db2.gz MHMJBWIZUTZNMJ-UHFFFAOYSA-N 0 3 418.517 1.950 20 0 HDADHN CN(CCN1CCN(C(=O)c2cc(OC(F)F)n(C)n2)CC1)Cc1ccccc1 ZINC000466639962 1075737691 /nfs/dbraw/zinc/73/76/91/1075737691.db2.gz CIUXKBLYPAJPDZ-UHFFFAOYSA-N 0 3 407.465 1.911 20 0 HDADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000484173072 1075754631 /nfs/dbraw/zinc/75/46/31/1075754631.db2.gz PWWOBNQCIWGXQR-CQSZACIVSA-N 0 3 404.902 1.909 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000732467841 1075755395 /nfs/dbraw/zinc/75/53/95/1075755395.db2.gz YUURVYZRHDDLRP-QHAWAJNXSA-N 0 3 402.539 1.092 20 0 HDADHN COCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1 ZINC000732481401 1075759839 /nfs/dbraw/zinc/75/98/39/1075759839.db2.gz WNOVRNJJFNXIGB-INIZCTEOSA-N 0 3 412.490 1.847 20 0 HDADHN CN1CCN(CC2(C)CCN(S(=O)(=O)c3cnn(-c4ccccc4)c3)CC2)CC1 ZINC000543689920 1075765353 /nfs/dbraw/zinc/76/53/53/1075765353.db2.gz QFXPTEHYVFODBR-UHFFFAOYSA-N 0 3 417.579 1.911 20 0 HDADHN CN1CCN(CCCNc2ncnc3cccc(I)c32)CC1 ZINC000546572914 1075791761 /nfs/dbraw/zinc/79/17/61/1075791761.db2.gz RYRGBUYPLYNFPR-UHFFFAOYSA-N 0 3 411.291 2.284 20 0 HDADHN CN1CCN(Cc2ccc(CNC(=O)Nc3ncn(Cc4ccccc4)n3)cc2)CC1 ZINC000588253906 1075792128 /nfs/dbraw/zinc/79/21/28/1075792128.db2.gz USAXUCLZRACJJC-UHFFFAOYSA-N 0 3 419.533 2.396 20 0 HDADHN CCc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)c1CC ZINC000487875402 1075805165 /nfs/dbraw/zinc/80/51/65/1075805165.db2.gz LCVKZUUVLIHMDD-UHFFFAOYSA-N 0 3 402.539 1.763 20 0 HDADHN Cc1ccc([C@H](CNC(=O)N(CCO)CCN2CCOCC2)N2CCCC2)cc1 ZINC000487905137 1075805418 /nfs/dbraw/zinc/80/54/18/1075805418.db2.gz DTAUDKOMTXXHKW-NRFANRHFSA-N 0 3 404.555 1.468 20 0 HDADHN C[C@H]1CN(CCC2CCN(C(=O)C(=O)Nc3cc(C4CC4)n(C)n3)CC2)C[C@H](C)O1 ZINC000580369499 1075808596 /nfs/dbraw/zinc/80/85/96/1075808596.db2.gz PPKHBOKRCIPNLN-HOTGVXAUSA-N 0 3 417.554 1.974 20 0 HDADHN C[C@H]1C[C@@H](NC(=O)Nc2ccn(CCN3CCOCC3)n2)CN1Cc1ccccc1 ZINC000467478463 1075812279 /nfs/dbraw/zinc/81/22/79/1075812279.db2.gz ORSPFCINYPKCBE-AZUAARDMSA-N 0 3 412.538 2.000 20 0 HDADHN NS(=O)(=O)c1cc(C(=O)NCC2(N3CCSCC3)CCCCC2)ccc1F ZINC000732661279 1075819453 /nfs/dbraw/zinc/81/94/53/1075819453.db2.gz VHVIQOIHLGYDBR-UHFFFAOYSA-N 0 3 415.556 1.955 20 0 HDADHN CC(C)Cc1ccc([C@H](CNC(=O)Nc2ncn(CC(=O)N(C)C)n2)N(C)C)cc1 ZINC000554233220 1075836717 /nfs/dbraw/zinc/83/67/17/1075836717.db2.gz PAIVIZVZNSNERN-SFHVURJKSA-N 0 3 415.542 1.989 20 0 HDADHN CN(C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CCN(C2CC2)C1 ZINC000732703317 1075836661 /nfs/dbraw/zinc/83/66/61/1075836661.db2.gz SGNDTYSTGBAGBO-AWEZNQCLSA-N 0 3 412.478 1.426 20 0 HDADHN CCN1CCN(CCC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)C[C@H]1C ZINC000611091863 1075839974 /nfs/dbraw/zinc/83/99/74/1075839974.db2.gz AOBIIEYIDQTHCH-GFCCVEGCSA-N 0 3 411.524 1.984 20 0 HDADHN CN1CCC(N(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c2ccccc2)CC1 ZINC000732732773 1075844752 /nfs/dbraw/zinc/84/47/52/1075844752.db2.gz LEWXLOXCUNZKPM-UHFFFAOYSA-N 0 3 400.504 1.611 20 0 HDADHN CN1CCN(CCCCNC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)CC1 ZINC000732753525 1075856313 /nfs/dbraw/zinc/85/63/13/1075856313.db2.gz RPMHGHPFYUBNBM-UHFFFAOYSA-N 0 3 411.572 1.925 20 0 HDADHN CS[C@@H]1CN(C(=O)[C@@H](NS(=O)(=O)c2ccccc2F)C(C)C)C[C@@H]1N(C)C ZINC000611165451 1075865690 /nfs/dbraw/zinc/86/56/90/1075865690.db2.gz OWHJBSHTVKEOID-UXLLHSPISA-N 0 3 417.572 1.633 20 0 HDADHN COC(=O)c1cccc([C@@H](C(=O)OC)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000611244298 1075884487 /nfs/dbraw/zinc/88/44/87/1075884487.db2.gz QBDHFEOCHDSMMU-MSOLQXFVSA-N 0 3 403.479 1.101 20 0 HDADHN COC(=O)c1ccsc1N1CC[C@H](N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1=O ZINC000611244227 1075885350 /nfs/dbraw/zinc/88/53/50/1075885350.db2.gz LKDHHZDISZDKQR-CVEARBPZSA-N 0 3 420.535 1.054 20 0 HDADHN COC(=O)C(C)(C)[C@@H]1CCCN([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000611321383 1075899695 /nfs/dbraw/zinc/89/96/95/1075899695.db2.gz OHQRXCMKIGGIAC-IAGOWNOFSA-N 0 3 419.522 1.864 20 0 HDADHN CC(=O)N(C)c1ccc(NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)cc1 ZINC000611367435 1075914127 /nfs/dbraw/zinc/91/41/27/1075914127.db2.gz BFTYOFHTADLGDT-FQEVSTJZSA-N 0 3 415.538 1.235 20 0 HDADHN Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)ccc1N1C(=O)CCC1=O ZINC000733046343 1075952753 /nfs/dbraw/zinc/95/27/53/1075952753.db2.gz PEDFUULSNCXSNP-ZBFHGGJFSA-N 0 3 414.506 1.824 20 0 HDADHN C[C@@H]1CN(CCCN2C(=O)c3ccccc3C2=O)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001080163574 1075983981 /nfs/dbraw/zinc/98/39/81/1075983981.db2.gz OWKMTJJMFVWYHZ-GAQVFZABSA-N 0 3 423.513 1.533 20 0 HDADHN C[C@@H]1CN(CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001080183343 1075985593 /nfs/dbraw/zinc/98/55/93/1075985593.db2.gz RFYMJYPNRPMUMB-DISONHOPSA-N 0 3 404.555 1.970 20 0 HDADHN Cc1cc(Cn2nnc(C(=O)N3CCC(CN4C[C@@H](C)O[C@H](C)C4)CC3)c2C)no1 ZINC000509138748 1075987124 /nfs/dbraw/zinc/98/71/24/1075987124.db2.gz MRWSGQWUDAFZBD-HZPDHXFCSA-N 0 3 416.526 1.893 20 0 HDADHN O=C1CNC(=O)N1CCCN1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493875611 1075992788 /nfs/dbraw/zinc/99/27/88/1075992788.db2.gz QYMZJIAYIRBMSV-GFCCVEGCSA-N 0 3 410.400 1.869 20 0 HDADHN C[C@@H]1CN(C[C@H](O)CN[C@@](C)(CO)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000511564246 1075995240 /nfs/dbraw/zinc/99/52/40/1075995240.db2.gz PWQRXLWURYRZPO-NONVJHHQSA-N 0 3 401.345 1.716 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)CN2C(=S)N=NC2c2cccc(C)c2)CC1 ZINC000733169568 1076000068 /nfs/dbraw/zinc/00/00/68/1076000068.db2.gz CARCWBLRDHTJQH-QGZVFWFLSA-N 0 3 416.595 1.932 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)COc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC000733169555 1076000197 /nfs/dbraw/zinc/00/01/97/1076000197.db2.gz BPEXALYKIDVMPL-INIZCTEOSA-N 0 3 401.507 1.870 20 0 HDADHN CCNS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)c1 ZINC000733171076 1076001430 /nfs/dbraw/zinc/00/14/30/1076001430.db2.gz VIMZEBMMWOCAKS-OAHLLOKOSA-N 0 3 414.547 1.127 20 0 HDADHN CO[C@@H]1CN(Cc2c(C)cc(C)cc2C)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001081973720 1076021704 /nfs/dbraw/zinc/02/17/04/1076021704.db2.gz RBTVCTDREBRVRO-MKJVIKKCSA-N 0 3 402.535 1.979 20 0 HDADHN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@H](CC)CO ZINC000727057732 1076034795 /nfs/dbraw/zinc/03/47/95/1076034795.db2.gz GHSZNRQPMFZXFD-OAHLLOKOSA-N 0 3 413.540 1.559 20 0 HDADHN CCN(CC)CCN(C(=S)NCC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000727071822 1076038341 /nfs/dbraw/zinc/03/83/41/1076038341.db2.gz GVGDPEAMPVCHRJ-MRXNPFEDSA-N 0 3 406.662 1.280 20 0 HDADHN CN(C)Cc1cccc(NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)c1 ZINC000727083673 1076040423 /nfs/dbraw/zinc/04/04/23/1076040423.db2.gz MHUDSDPCVANMOD-UHFFFAOYSA-N 0 3 419.283 1.593 20 0 HDADHN CCCN(C(=S)NCCNS(C)(=O)=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000727084319 1076040636 /nfs/dbraw/zinc/04/06/36/1076040636.db2.gz DJHYBUOXGRBUPD-GOSISDBHSA-N 0 3 412.625 1.787 20 0 HDADHN COC(=O)C1CCN(CCCNC(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1 ZINC000727133197 1076050635 /nfs/dbraw/zinc/05/06/35/1076050635.db2.gz HTEUUVIYRKXBFK-OAHLLOKOSA-N 0 3 415.556 1.688 20 0 HDADHN Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000727460462 1076134930 /nfs/dbraw/zinc/13/49/30/1076134930.db2.gz MZXFLJOVXXCRNY-UHFFFAOYSA-N 0 3 413.931 1.152 20 0 HDADHN CCn1cc(CN(C)CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)cn1 ZINC000733790322 1076207852 /nfs/dbraw/zinc/20/78/52/1076207852.db2.gz KLZIAPBQZGEZCB-QFIPXVFZSA-N 0 3 410.522 1.879 20 0 HDADHN CCN(CC)[C@@H](CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1ccsc1 ZINC000727756061 1076230223 /nfs/dbraw/zinc/23/02/23/1076230223.db2.gz RAPFPWNGISHYFN-RDJZCZTQSA-N 0 3 408.549 1.977 20 0 HDADHN CN(C)[C@@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)cc1)Cc1ccccc1 ZINC000022682104 1076230442 /nfs/dbraw/zinc/23/04/42/1076230442.db2.gz SKSIMCDKHVPNRT-HXUWFJFHSA-N 0 3 403.548 1.681 20 0 HDADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)CC1=O ZINC000733890171 1076252029 /nfs/dbraw/zinc/25/20/29/1076252029.db2.gz IUXNOAVBVHTOLA-IRXDYDNUSA-N 0 3 410.559 1.502 20 0 HDADHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)N1CCCOCC1 ZINC000536741438 1076256846 /nfs/dbraw/zinc/25/68/46/1076256846.db2.gz FGKAKMCIRSGJHO-IBGZPJMESA-N 0 3 411.506 1.826 20 0 HDADHN CCN(CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)CC(C)(C)O ZINC000734002605 1076288559 /nfs/dbraw/zinc/28/85/59/1076288559.db2.gz RBWPZILYOZDGHH-XNTDXEJSSA-N 0 3 409.552 1.224 20 0 HDADHN CC(C)N1CCCN(C(=O)C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)CC1 ZINC000727951666 1076296063 /nfs/dbraw/zinc/29/60/63/1076296063.db2.gz JDBIZPYCPIEVHQ-UHFFFAOYSA-N 0 3 421.973 1.973 20 0 HDADHN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCC[C@H](C4OCCO4)C3)CC2)C1 ZINC000728053700 1076320553 /nfs/dbraw/zinc/32/05/53/1076320553.db2.gz PZUXLUNCFQEZOG-MJGOQNOKSA-N 0 3 407.555 1.568 20 0 HDADHN COc1cc(C)c(CN2CCN(C(=O)CN3CCCN(C)CC3)CC2)cc1OC ZINC000022945502 1076330358 /nfs/dbraw/zinc/33/03/58/1076330358.db2.gz IEIZLSIZVHEQKU-UHFFFAOYSA-N 0 3 404.555 1.294 20 0 HDADHN CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1N1CCOCC1 ZINC000027372885 1076359650 /nfs/dbraw/zinc/35/96/50/1076359650.db2.gz ODDIFGZOYWSQBO-UHFFFAOYSA-N 0 3 405.520 1.681 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC3CCN(C(C)=O)CC3)cc2)CC1 ZINC000729885536 1076377210 /nfs/dbraw/zinc/37/72/10/1076377210.db2.gz ZNOYYXRORGKNMT-UHFFFAOYSA-N 0 3 415.538 1.142 20 0 HDADHN CCOCCN1CCN(CC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CC1 ZINC000729995537 1076409779 /nfs/dbraw/zinc/40/97/79/1076409779.db2.gz XCUINPJCMXGVCL-UHFFFAOYSA-N 0 3 403.571 1.421 20 0 HDADHN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)n(C)c2)C1 ZINC000730216915 1076479012 /nfs/dbraw/zinc/47/90/12/1076479012.db2.gz VZHYRHMWRPDODJ-ZACQAIPSSA-N 0 3 424.567 1.039 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000730219598 1076480779 /nfs/dbraw/zinc/48/07/79/1076480779.db2.gz GMUCIDZWVFUBTA-MRXNPFEDSA-N 0 3 404.486 1.191 20 0 HDADHN C[C@H](O)[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000730261350 1076503207 /nfs/dbraw/zinc/50/32/07/1076503207.db2.gz IBCBEILLLJLMLL-YVUOITTCSA-N 0 3 421.563 1.367 20 0 HDADHN COC(=O)Nc1cc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccn2)ccc1F ZINC000730682418 1076632111 /nfs/dbraw/zinc/63/21/11/1076632111.db2.gz YTBSMZYBHYOJPG-UHFFFAOYSA-N 0 3 417.441 1.928 20 0 HDADHN CN(C)CCN(Cc1ccccn1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000730669827 1076634491 /nfs/dbraw/zinc/63/44/91/1076634491.db2.gz HOCYKFSRVZHRAN-UHFFFAOYSA-N 0 3 405.524 1.045 20 0 HDADHN O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000730774082 1076650426 /nfs/dbraw/zinc/65/04/26/1076650426.db2.gz SJYVLSPJVYSGFZ-ZACQAIPSSA-N 0 3 420.897 1.524 20 0 HDADHN COCC(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)cc1 ZINC000730916090 1076690233 /nfs/dbraw/zinc/69/02/33/1076690233.db2.gz VNQRFIGVWRXUBM-UHFFFAOYSA-N 0 3 420.510 1.216 20 0 HDADHN NS(=O)(=O)c1ccc(CCN2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000730937736 1076696916 /nfs/dbraw/zinc/69/69/16/1076696916.db2.gz FWCYGPMYMSKWTI-UHFFFAOYSA-N 0 3 405.495 1.910 20 0 HDADHN NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN/C=C3\C(=O)[N-]C(=O)c4ccccc43)c2)C1 ZINC000730996167 1076707102 /nfs/dbraw/zinc/70/71/02/1076707102.db2.gz PAADTRDFOPZOQK-PKIWBCANSA-N 0 3 418.497 1.785 20 0 HDADHN NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN/C=C3\C(=O)[N-]C(=O)c4ccccc43)c2)C1 ZINC000730996167 1076707106 /nfs/dbraw/zinc/70/71/06/1076707106.db2.gz PAADTRDFOPZOQK-PKIWBCANSA-N 0 3 418.497 1.785 20 0 HDADHN Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(c2cc(CN(C)C)ccn2)C3)nn1 ZINC001164635151 719266559 /nfs/dbraw/zinc/26/65/59/719266559.db2.gz HVRNXTGRVKTWCA-DENIHFKCSA-N 0 3 412.538 1.966 20 0 HDADHN CCOC(=O)c1cnc([S@@](C)=O)nc1-n1nc(CN(C)C(C)C)c2c1CNCC2 ZINC001164680614 719636465 /nfs/dbraw/zinc/63/64/65/719636465.db2.gz YPJXJTRZKLLRDU-GDLZYMKVSA-N 0 3 420.539 1.062 20 0 HDADHN CCOC(=O)c1cc2cccnc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737619 720693125 /nfs/dbraw/zinc/69/31/25/720693125.db2.gz GPNVMDFIYNWUFZ-IAGOWNOFSA-N 0 3 420.473 1.938 20 0 HDADHN CN(C)c1nc(-c2ccccc2)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740501 720722083 /nfs/dbraw/zinc/72/20/83/720722083.db2.gz QQHVXWFRCPPFDS-ROUUACIJSA-N 0 3 418.505 1.737 20 0 HDADHN CCc1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(N2CCOCC2)n1 ZINC001164746941 720729761 /nfs/dbraw/zinc/72/97/61/720729761.db2.gz ZBVJRKZNRDLTLB-QZTJIDSGSA-N 0 3 411.510 1.008 20 0 HDADHN Clc1nc2c(Cl)ncnc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164748290 720794971 /nfs/dbraw/zinc/79/49/71/720794971.db2.gz QILRXBCKISJRQI-WDEREUQCSA-N 0 3 419.276 1.859 20 0 HDADHN CS(=O)(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)N2CC2CC2)C1 ZINC001164740258 720820582 /nfs/dbraw/zinc/82/05/82/720820582.db2.gz JWOMVYIIBVPASN-RCCFBDPRSA-N 0 3 416.551 1.456 20 0 HDADHN CS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)N3CC3CC3)C2)nc1 ZINC001164743538 720843182 /nfs/dbraw/zinc/84/31/82/720843182.db2.gz IYEHJVBLLKSJPP-ZIFCJYIRSA-N 0 3 416.551 1.456 20 0 HDADHN CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(c1cc(CN(C)C)ccn1)CCC2 ZINC001164751605 720866769 /nfs/dbraw/zinc/86/67/69/720866769.db2.gz LMWLUVIAUISIKZ-UHFFFAOYSA-N 0 3 412.538 1.773 20 0 HDADHN COC(=O)Cc1c(Cl)ncnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866863 721072407 /nfs/dbraw/zinc/07/24/07/721072407.db2.gz GJOSQVVIAXXTFC-HOTGVXAUSA-N 0 3 417.897 1.720 20 0 HDADHN O=C1NCc2c1c(N1CCN3C[C@H](OCc4cccnc4)C[C@H]3C1)nc(Cl)c2F ZINC001164865616 721098933 /nfs/dbraw/zinc/09/89/33/721098933.db2.gz NMQOYRSCECPXRH-UONOGXRCSA-N 0 3 417.872 1.992 20 0 HDADHN CCc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(N2CCOCC2)n1 ZINC001164863328 721113111 /nfs/dbraw/zinc/11/31/11/721113111.db2.gz BVENSSUALDXAHV-SFTDATJTSA-N 0 3 424.549 1.750 20 0 HDADHN COC(=O)c1cc2cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2n1C ZINC001164871523 721134074 /nfs/dbraw/zinc/13/40/74/721134074.db2.gz FFKCRHWOBZDWNZ-ROUUACIJSA-N 0 3 422.489 1.630 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164876534 721139458 /nfs/dbraw/zinc/13/94/58/721139458.db2.gz NBEPHDWQZBVTPB-MSOLQXFVSA-N 0 3 417.535 1.207 20 0 HDADHN CCc1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc(N2CCOCC2)n1 ZINC001164762677 721165266 /nfs/dbraw/zinc/16/52/66/721165266.db2.gz DDIJPCANVWQKMH-OALUTQOASA-N 0 3 411.554 1.567 20 0 HDADHN COC(=O)c1nc(Cl)cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164880668 721167580 /nfs/dbraw/zinc/16/75/80/721167580.db2.gz WVFLZYDNJFVJMG-HUUCEWRRSA-N 0 3 403.870 1.791 20 0 HDADHN CN1CCN(c2nccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164879872 721167807 /nfs/dbraw/zinc/16/78/07/721167807.db2.gz UWKHPQNFOYOQCE-WOJBJXKFSA-N 0 3 409.538 1.103 20 0 HDADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(Cn5ccccc5=O)cn4)C[C@H]3C2)cn1 ZINC001164773315 721208188 /nfs/dbraw/zinc/20/81/88/721208188.db2.gz WEMAMKSMRPBBGP-NHCUHLMSSA-N 0 3 404.518 1.983 20 0 HDADHN CN(C)C(=O)CN1CCOCC2(CCN(c3ncccc3CN3CCCC3)CC2)C1 ZINC001164878539 721292736 /nfs/dbraw/zinc/29/27/36/721292736.db2.gz QYVDUUHUPRHFEF-UHFFFAOYSA-N 0 3 415.582 1.684 20 0 HDADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccnc(N5CCOCC5)n4)C3)O2)CC1 ZINC001164887092 721422197 /nfs/dbraw/zinc/42/21/97/721422197.db2.gz KWDOWOBWIPGWER-UGKGYDQZSA-N 0 3 416.570 1.079 20 0 HDADHN Cc1cn(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)nn2)cn1 ZINC001164883726 721424304 /nfs/dbraw/zinc/42/43/04/721424304.db2.gz BXBLULRDWWZXAH-SIKLNZKXSA-N 0 3 411.554 1.736 20 0 HDADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(Cn5cncn5)cn4)C3)O2)CC1 ZINC001164899374 721434821 /nfs/dbraw/zinc/43/48/21/721434821.db2.gz YIZURXCASYTBJI-RBBKRZOGSA-N 0 3 411.554 1.487 20 0 HDADHN COC(=O)c1cc2c(ncnc2N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)[nH]1 ZINC001164802482 721534865 /nfs/dbraw/zinc/53/48/65/721534865.db2.gz GMNZUAPNLJGDPY-CEXWTWQISA-N 0 3 422.489 1.959 20 0 HDADHN CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCCC34CCN(CC(=O)N(C)C)CC4)c12 ZINC001165010194 721733225 /nfs/dbraw/zinc/73/32/25/721733225.db2.gz GABWYDMUSNRAKS-UHFFFAOYSA-N 0 3 414.510 1.658 20 0 HDADHN CN(Cc1ccc(N2CC[C@H]3[C@H](CNC(=O)c4cnn(C)c4)OC[C@@H]3C2)nc1)C1CC1 ZINC001164958374 722032235 /nfs/dbraw/zinc/03/22/35/722032235.db2.gz OQUXEUZJXUNYJE-TYPHKJRUSA-N 0 3 424.549 1.681 20 0 HDADHN CS(=O)(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164983823 722136642 /nfs/dbraw/zinc/13/66/42/722136642.db2.gz VKDLUISAJWZZTM-HKUYNNGSSA-N 0 3 402.520 1.607 20 0 HDADHN O=C1CSc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2N1 ZINC001164972090 722156339 /nfs/dbraw/zinc/15/63/39/722156339.db2.gz FKZPPNCNGPTPLM-HOTGVXAUSA-N 0 3 412.519 1.643 20 0 HDADHN CCOCCN1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000429051835 1073479652 /nfs/dbraw/zinc/47/96/52/1073479652.db2.gz IXCBYSHLGKNIDA-NRFANRHFSA-N 0 3 404.555 1.641 20 0 HDADHN CN1CCN(c2ccncc2NC(=O)C2CCN(c3ccc4nncn4n3)CC2)CC1 ZINC000625163444 1073530587 /nfs/dbraw/zinc/53/05/87/1073530587.db2.gz YINGATPYPUISBM-UHFFFAOYSA-N 0 3 421.509 1.126 20 0 HDADHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000673650486 1073549147 /nfs/dbraw/zinc/54/91/47/1073549147.db2.gz VOAGLPOMSRHGIV-KRWDZBQOSA-N 0 3 415.538 1.937 20 0 HDADHN COc1ccc(C(=O)NCCCC(=O)N2CCCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000625182795 1073550968 /nfs/dbraw/zinc/55/09/68/1073550968.db2.gz LKDSRJNFACPHMN-FQEVSTJZSA-N 0 3 403.523 1.919 20 0 HDADHN O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)NC[C@H]1CCCCN1C1CC1 ZINC000429106124 1073589708 /nfs/dbraw/zinc/58/97/08/1073589708.db2.gz XRBGTIZWPITDSA-SJLPKXTDSA-N 0 3 412.542 1.657 20 0 HDADHN C[C@@H]1C[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C(=O)N1c1cnn(C)c1 ZINC000673684613 1073639738 /nfs/dbraw/zinc/63/97/38/1073639738.db2.gz BEILJMOPHFZHAS-XLIONFOSSA-N 0 3 410.522 1.242 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000766019910 1073650741 /nfs/dbraw/zinc/65/07/41/1073650741.db2.gz NUGIUYJMCOTBHR-IBGZPJMESA-N 0 3 419.501 1.433 20 0 HDADHN CC(C)Cn1c(N)c(C(=O)CN2CC[C@H](N(C)Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC000673715472 1073654231 /nfs/dbraw/zinc/65/42/31/1073654231.db2.gz WAFSPFLBYHEUSL-KRWDZBQOSA-N 0 3 413.522 1.576 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000673750379 1073693567 /nfs/dbraw/zinc/69/35/67/1073693567.db2.gz OASLRGJCTIFZAL-HNNXBMFYSA-N 0 3 424.505 1.418 20 0 HDADHN CCN1CCN(CCNC(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CC1 ZINC000509139956 1073704899 /nfs/dbraw/zinc/70/48/99/1073704899.db2.gz DSOICZBEKBPQHU-HXUWFJFHSA-N 0 3 403.502 1.108 20 0 HDADHN COc1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1S(=O)(=O)N(C)C ZINC000069344473 1073718266 /nfs/dbraw/zinc/71/82/66/1073718266.db2.gz NZDQZJNEWUILBU-QGZVFWFLSA-N 0 3 405.520 1.978 20 0 HDADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000673783354 1073721683 /nfs/dbraw/zinc/72/16/83/1073721683.db2.gz SZQRPJDEPVLECZ-KRWDZBQOSA-N 0 3 404.511 1.019 20 0 HDADHN CN1CCN(CCCNC(=O)[C@@H]2CCCN2c2ncccn2)[C@H](c2ccccc2)C1 ZINC000673830807 1073790090 /nfs/dbraw/zinc/79/00/90/1073790090.db2.gz OEPNDWYCZQYMFZ-SFTDATJTSA-N 0 3 408.550 1.940 20 0 HDADHN COC(=O)c1cccc(CCNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000509162960 1073808460 /nfs/dbraw/zinc/80/84/60/1073808460.db2.gz DMIIZYBYNPUSFZ-SFHVURJKSA-N 0 3 404.511 1.258 20 0 HDADHN COc1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1[N-]S(C)(=O)=O ZINC000673860838 1073829067 /nfs/dbraw/zinc/82/90/67/1073829067.db2.gz YNGIOCUGQVFPFQ-JKSUJKDBSA-N 0 3 412.512 1.130 20 0 HDADHN O=C(NCc1cc2c([nH]c1=O)CCC2)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000673878775 1073849740 /nfs/dbraw/zinc/84/97/40/1073849740.db2.gz OTISUEMTWOIOBE-PZJWPPBQSA-N 0 3 410.518 1.958 20 0 HDADHN CC[C@@H]1CN(C)CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000670435838 1073945010 /nfs/dbraw/zinc/94/50/10/1073945010.db2.gz BRTVMJVHTXIETL-WMLDXEAASA-N 0 3 410.540 1.255 20 0 HDADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)NC1CCN(c2cccnn2)CC1 ZINC000429179240 1073967859 /nfs/dbraw/zinc/96/78/59/1073967859.db2.gz GZWCVGOAULPHRV-QFIPXVFZSA-N 0 3 410.522 1.382 20 0 HDADHN Cc1nn(Cc2ccccc2)c(N)c1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000509188407 1074002856 /nfs/dbraw/zinc/00/28/56/1074002856.db2.gz ZUQDOVPPTQHMJD-GOSISDBHSA-N 0 3 412.538 1.495 20 0 HDADHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000543524644 1074004853 /nfs/dbraw/zinc/00/48/53/1074004853.db2.gz MKCARFXTOYYAEO-GASCZTMLSA-N 0 3 422.551 1.445 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCCC[C@@H]1C ZINC000543533360 1074029199 /nfs/dbraw/zinc/02/91/99/1074029199.db2.gz UBJWUWHHCLRYGK-GJZGRUSLSA-N 0 3 422.551 1.445 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCCC[C@H]1C ZINC000543533363 1074029243 /nfs/dbraw/zinc/02/92/43/1074029243.db2.gz UBJWUWHHCLRYGK-HUUCEWRRSA-N 0 3 422.551 1.445 20 0 HDADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000543535331 1074035643 /nfs/dbraw/zinc/03/56/43/1074035643.db2.gz XGLSIYOXFNDSOD-GJZGRUSLSA-N 0 3 422.551 1.184 20 0 HDADHN O=S1(=O)C[C@H](NCCCc2ccc(C(F)(F)F)cc2)[C@@H](N2CCOCC2)C1 ZINC000674006670 1074054422 /nfs/dbraw/zinc/05/44/22/1074054422.db2.gz YGYLOQLFNJZYKN-IRXDYDNUSA-N 0 3 406.470 1.725 20 0 HDADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000466597673 1074060302 /nfs/dbraw/zinc/06/03/02/1074060302.db2.gz OYSNDKGBZVAZDG-IVAOSVALSA-N 0 3 414.550 1.896 20 0 HDADHN O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000674038856 1074109595 /nfs/dbraw/zinc/10/95/95/1074109595.db2.gz FAXJBWOWTYIOLP-INIZCTEOSA-N 0 3 402.886 1.519 20 0 HDADHN CN(C)CCN(C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000429223637 1074192172 /nfs/dbraw/zinc/19/21/72/1074192172.db2.gz WNFTXTLTQRKMSS-UHFFFAOYSA-N 0 3 404.920 1.386 20 0 HDADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)C1 ZINC000674193584 1074208021 /nfs/dbraw/zinc/20/80/21/1074208021.db2.gz ALCCBEHYYDXKLY-IBGZPJMESA-N 0 3 424.501 1.612 20 0 HDADHN CSc1ccncc1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000674270812 1074250487 /nfs/dbraw/zinc/25/04/87/1074250487.db2.gz JBNTWGYBICZXFX-IAGOWNOFSA-N 0 3 414.531 1.741 20 0 HDADHN COCCN1CCC(NC(=O)NC2CCN(C(=O)c3ccccc3F)CC2)CC1 ZINC000140310856 1074256102 /nfs/dbraw/zinc/25/61/02/1074256102.db2.gz OLIXNLCBXANYDD-UHFFFAOYSA-N 0 3 406.502 1.840 20 0 HDADHN COc1ccc(Cl)cc1N1C[C@H](C(=O)NCCN2CCC(OC)CC2)CC1=O ZINC000674310315 1074269177 /nfs/dbraw/zinc/26/91/77/1074269177.db2.gz AFMBWJPVGCKGMR-CQSZACIVSA-N 0 3 409.914 1.929 20 0 HDADHN COC1CCN(CCNC(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)CC1 ZINC000674315207 1074270420 /nfs/dbraw/zinc/27/04/20/1074270420.db2.gz DSDSBPYKCNMHLG-UHFFFAOYSA-N 0 3 404.511 1.920 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1 ZINC000674323925 1074273352 /nfs/dbraw/zinc/27/33/52/1074273352.db2.gz HPNUKTCTMHZYNE-GOSISDBHSA-N 0 3 423.579 1.623 20 0 HDADHN COc1nn(C)c2nc(C)c(CCC(=O)NCCN3CCC(OC)CC3)c(C)c12 ZINC000674325076 1074273745 /nfs/dbraw/zinc/27/37/45/1074273745.db2.gz XBINNEYJUAOYPL-UHFFFAOYSA-N 0 3 403.527 1.753 20 0 HDADHN COC1CCN(CCNC(=O)N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000674329617 1074275311 /nfs/dbraw/zinc/27/53/11/1074275311.db2.gz HGPIVJUCQBRDSF-GHTZIAJQSA-N 0 3 404.555 1.686 20 0 HDADHN COC1CCN(CCNC(=O)N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000674329618 1074275407 /nfs/dbraw/zinc/27/54/07/1074275407.db2.gz HGPIVJUCQBRDSF-NQIIRXRSSA-N 0 3 404.555 1.686 20 0 HDADHN COC1CCN(CCNC(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)CC1 ZINC000674327709 1074277512 /nfs/dbraw/zinc/27/75/12/1074277512.db2.gz MOSOTIGXQRUTJJ-GOSISDBHSA-N 0 3 404.555 1.817 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)CC1 ZINC000674357920 1074291032 /nfs/dbraw/zinc/29/10/32/1074291032.db2.gz FQGSVULEDCCNIT-LJQANCHMSA-N 0 3 412.465 1.531 20 0 HDADHN COC(=O)N(C)Cc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000766061138 1074306491 /nfs/dbraw/zinc/30/64/91/1074306491.db2.gz MNXPDIBTBZGRHM-GOSISDBHSA-N 0 3 417.510 1.655 20 0 HDADHN CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000674397624 1074310976 /nfs/dbraw/zinc/31/09/76/1074310976.db2.gz HAWHOXNTKSPJAR-LEWJYISDSA-N 0 3 404.555 1.548 20 0 HDADHN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN[C@H]1Cc2cccc(O)c2C1 ZINC000429229577 1074319887 /nfs/dbraw/zinc/31/98/87/1074319887.db2.gz WKFQNGQQYISKAH-WFASDCNBSA-N 0 3 401.488 1.074 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCCCN2CCc3ccccc3C2)C1=O ZINC000674425290 1074327009 /nfs/dbraw/zinc/32/70/09/1074327009.db2.gz YVQMHOCGJAIHTD-GCJKJVERSA-N 0 3 413.522 1.455 20 0 HDADHN CCN(CC)[C@@H](CNC(=O)N(C)CCN1CCCS1(=O)=O)c1ccsc1 ZINC000674425827 1074328635 /nfs/dbraw/zinc/32/86/35/1074328635.db2.gz FVNXAPMXFVILGE-INIZCTEOSA-N 0 3 402.586 1.808 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1=O ZINC000674438130 1074335589 /nfs/dbraw/zinc/33/55/89/1074335589.db2.gz GUHZDQWNEIEQDH-SVMVAKDDSA-N 0 3 413.522 1.843 20 0 HDADHN COc1cnccc1N1CCN(C(=O)C(=O)Nc2ccnn2-c2ccccc2)CC1 ZINC000485083676 1074381205 /nfs/dbraw/zinc/38/12/05/1074381205.db2.gz BOBOFRCRFOHSCG-UHFFFAOYSA-N 0 3 406.446 1.563 20 0 HDADHN Cc1ccc(NC(=O)CN[C@@H]2Cc3cccc(O)c3C2)cc1S(=O)(=O)N(C)C ZINC000429229818 1074384031 /nfs/dbraw/zinc/38/40/31/1074384031.db2.gz IPKGWEWWMBCWPL-MRXNPFEDSA-N 0 3 403.504 1.646 20 0 HDADHN CCN1C(=O)[C@@H]2CN(CCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)CCN2C1=O ZINC000674500462 1074393220 /nfs/dbraw/zinc/39/32/20/1074393220.db2.gz DHDGTKATWVMEPJ-SFHVURJKSA-N 0 3 424.505 1.786 20 0 HDADHN C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1nc(C(F)(F)F)cs1 ZINC000674577076 1074453111 /nfs/dbraw/zinc/45/31/11/1074453111.db2.gz PAODUHHSTNNWOM-RYUDHWBXSA-N 0 3 422.473 1.908 20 0 HDADHN CCN1CCN(c2ccc(C(=O)NC[C@H]3CCC[C@]34NC(=O)N(C)C4=O)cc2)CC1 ZINC000674585112 1074466285 /nfs/dbraw/zinc/46/62/85/1074466285.db2.gz VVAZRFNQTMYOAO-VGSWGCGISA-N 0 3 413.522 1.279 20 0 HDADHN Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 ZINC000674638009 1074497778 /nfs/dbraw/zinc/49/77/78/1074497778.db2.gz BPXRTDGNDKXXMR-AVRDEDQJSA-N 0 3 415.538 1.789 20 0 HDADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000674639150 1074499223 /nfs/dbraw/zinc/49/92/23/1074499223.db2.gz PCFKLFUSOSQXAJ-IIBYNOLFSA-N 0 3 419.501 1.619 20 0 HDADHN CC(C)(C)NS(=O)(=O)CC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000674715248 1074533405 /nfs/dbraw/zinc/53/34/05/1074533405.db2.gz SFUJBCHLGOLODH-UHFFFAOYSA-N 0 3 415.531 1.503 20 0 HDADHN O=C(CNC(=O)c1ccncc1)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000674743744 1074545404 /nfs/dbraw/zinc/54/54/04/1074545404.db2.gz JQHGWWBBBKFORD-UHFFFAOYSA-N 0 3 400.454 1.610 20 0 HDADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccccn3)c2)C1 ZINC000674763776 1074559040 /nfs/dbraw/zinc/55/90/40/1074559040.db2.gz IPLYYTFYDBMISU-LJQANCHMSA-N 0 3 404.474 1.939 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1CCN(c2cccs2)CC1 ZINC000674783953 1074564271 /nfs/dbraw/zinc/56/42/71/1074564271.db2.gz XOAYWABJHNCSQE-KRWDZBQOSA-N 0 3 407.584 1.959 20 0 HDADHN CCN1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)C1 ZINC000674898641 1074605645 /nfs/dbraw/zinc/60/56/45/1074605645.db2.gz RZZCSFRBUGCBBL-KUHUBIRLSA-N 0 3 410.474 1.973 20 0 HDADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCO[C@H]([C@@H]3CCCO3)C2)CC1 ZINC000674914096 1074613002 /nfs/dbraw/zinc/61/30/02/1074613002.db2.gz XUWAZRMFWJGJLW-VXKWHMMOSA-N 0 3 401.551 1.909 20 0 HDADHN O=C(NCc1ccccc1CN1CCC(O)CC1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000674985742 1074660078 /nfs/dbraw/zinc/66/00/78/1074660078.db2.gz JGHAUARNCOJGLP-RTWAWAEBSA-N 0 3 403.523 1.733 20 0 HDADHN COc1cc(OC)cc(N2CC[C@H](CNC(=O)NCCN3CCC(OC)CC3)C2)c1 ZINC000674993225 1074668906 /nfs/dbraw/zinc/66/89/06/1074668906.db2.gz TWGPCBFDZGFSQP-QGZVFWFLSA-N 0 3 420.554 1.940 20 0 HDADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000448491810 1074725765 /nfs/dbraw/zinc/72/57/65/1074725765.db2.gz WXMDYWYLLVIYPK-UHFFFAOYSA-N 0 3 409.412 1.949 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2cn3cc(Cl)ccc3n2)CC1 ZINC000509316873 1074773029 /nfs/dbraw/zinc/77/30/29/1074773029.db2.gz ZPWHHZQPUJLBTB-UHFFFAOYSA-N 0 3 406.918 1.683 20 0 HDADHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)Nc1ccn(CCN2CCOCC2)n1 ZINC000561847897 1074781766 /nfs/dbraw/zinc/78/17/66/1074781766.db2.gz UNJVQCLGQVWVKS-FQEVSTJZSA-N 0 3 412.538 2.174 20 0 HDADHN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000675297510 1074791281 /nfs/dbraw/zinc/79/12/81/1074791281.db2.gz TYQPZRCEISHKDO-SFHVURJKSA-N 0 3 416.547 1.787 20 0 HDADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675304899 1074793386 /nfs/dbraw/zinc/79/33/86/1074793386.db2.gz HTKZTVGXKVUBFI-WMZOPIPTSA-N 0 3 420.941 1.942 20 0 HDADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCC[C@@H](C)C1 ZINC000675317763 1074797782 /nfs/dbraw/zinc/79/77/82/1074797782.db2.gz BAFHFANKJPBFAB-RVKKMQEKSA-N 0 3 420.941 1.798 20 0 HDADHN C[C@@H](NC[C@@H](O)c1ccsc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766109859 1074817029 /nfs/dbraw/zinc/81/70/29/1074817029.db2.gz PXYZATRRZZUXID-MLGOLLRUSA-N 0 3 418.562 1.858 20 0 HDADHN CSc1nc2nc(C)c(CC(=O)NCCCCN3CCN(C)CC3)c(C)n2n1 ZINC000041349184 1075091651 /nfs/dbraw/zinc/09/16/51/1075091651.db2.gz JPXSGLOHPXCCKQ-UHFFFAOYSA-N 0 3 405.572 1.149 20 0 HDADHN CN1C(=O)c2ccc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)cc2C1=O ZINC000429341254 1075123856 /nfs/dbraw/zinc/12/38/56/1075123856.db2.gz ZGMWSGRWCTWQFI-GOSISDBHSA-N 0 3 407.470 1.933 20 0 HDADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)CC1 ZINC000675396994 1075125559 /nfs/dbraw/zinc/12/55/59/1075125559.db2.gz MNOYSMNBPLZELE-GOSISDBHSA-N 0 3 412.538 1.575 20 0 HDADHN COCCCS(=O)(=O)N1CCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000509332453 1075129649 /nfs/dbraw/zinc/12/96/49/1075129649.db2.gz TXQJZDVUUPNMBE-UHFFFAOYSA-N 0 3 424.611 1.183 20 0 HDADHN C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)NCCCCN2CCN(C)CC2)n1 ZINC000675404523 1075129955 /nfs/dbraw/zinc/12/99/55/1075129955.db2.gz SKOCQBGHCQRCFF-SFHVURJKSA-N 0 3 412.538 1.575 20 0 HDADHN C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)NCCCCN2CCN(C)CC2)n1 ZINC000675404522 1075129998 /nfs/dbraw/zinc/12/99/98/1075129998.db2.gz SKOCQBGHCQRCFF-GOSISDBHSA-N 0 3 412.538 1.575 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NC2CCN(Cc3ccccn3)CC2)CC1 ZINC000509340736 1075154522 /nfs/dbraw/zinc/15/45/22/1075154522.db2.gz HBTGFQQZZCBWLT-UHFFFAOYSA-N 0 3 416.570 1.242 20 0 HDADHN COCCNC(=O)[C@H]1CC[C@H](C)N(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000144181880 1075164639 /nfs/dbraw/zinc/16/46/39/1075164639.db2.gz JRCNHHWKHMBLIW-IRXDYDNUSA-N 0 3 412.534 1.916 20 0 HDADHN COCCN1CCC(NC(=O)C(=O)Nc2nn([C@@H](C)c3ccccc3)cc2C)CC1 ZINC000472406919 1075170755 /nfs/dbraw/zinc/17/07/55/1075170755.db2.gz KJLAAVSNDMGLQL-KRWDZBQOSA-N 0 3 413.522 1.966 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)c2ccccc2O1 ZINC000675490332 1075174945 /nfs/dbraw/zinc/17/49/45/1075174945.db2.gz BCPRZLONCOARCY-OAHLLOKOSA-N 0 3 400.479 1.597 20 0 HDADHN CNS(=O)(=O)c1ccc(CCC(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1 ZINC000675489715 1075175001 /nfs/dbraw/zinc/17/50/01/1075175001.db2.gz HEOZRRORFKDRGL-QGZVFWFLSA-N 0 3 417.531 1.883 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccnc2)c2ccccc2O1 ZINC000675491415 1075175220 /nfs/dbraw/zinc/17/52/20/1075175220.db2.gz LSQMZHJFXORCKS-HNNXBMFYSA-N 0 3 404.492 1.058 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c2ccccc2O1 ZINC000675491169 1075175270 /nfs/dbraw/zinc/17/52/70/1075175270.db2.gz XHLYZRANVXISDV-HNNXBMFYSA-N 0 3 400.479 1.597 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)c2ccccc2O1 ZINC000675491575 1075176282 /nfs/dbraw/zinc/17/62/82/1075176282.db2.gz RKSUNYLXOJTMNA-QGZVFWFLSA-N 0 3 408.458 1.708 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c2ccccc2O1 ZINC000675512050 1075190683 /nfs/dbraw/zinc/19/06/83/1075190683.db2.gz FIOWFDVKISJKCH-QGZVFWFLSA-N 0 3 408.458 1.708 20 0 HDADHN CC1CCC(NS(=O)(=O)CC(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)CC1 ZINC000675511687 1075191153 /nfs/dbraw/zinc/19/11/53/1075191153.db2.gz RMJRRWLHLWPSIO-OFLPRAFFSA-N 0 3 409.552 1.840 20 0 HDADHN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC1CCN([C@H]3CCOC3)CC1)C2=O ZINC000675537184 1075194160 /nfs/dbraw/zinc/19/41/60/1075194160.db2.gz YKQSRFFOBIMIEZ-ZWWNWMABSA-N 0 3 420.554 1.493 20 0 HDADHN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000675536863 1075194177 /nfs/dbraw/zinc/19/41/77/1075194177.db2.gz LXELNUGUBHKVRJ-QAPCUYQASA-N 0 3 409.552 1.747 20 0 HDADHN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000675536864 1075194513 /nfs/dbraw/zinc/19/45/13/1075194513.db2.gz LXELNUGUBHKVRJ-YJBOKZPZSA-N 0 3 409.552 1.747 20 0 HDADHN CCOc1ccccc1N1C[C@@H](C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1=O ZINC000675536892 1075194594 /nfs/dbraw/zinc/19/45/94/1075194594.db2.gz NROZRFLGEIAPTM-WMZOPIPTSA-N 0 3 401.507 1.808 20 0 HDADHN O=C(CCNS(=O)(=O)c1ccccc1Cl)NC1CCN([C@@H]2CCOC2)CC1 ZINC000675539105 1075195957 /nfs/dbraw/zinc/19/59/57/1075195957.db2.gz UWVCZASQKWVUOK-OAHLLOKOSA-N 0 3 415.943 1.378 20 0 HDADHN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000675539031 1075195985 /nfs/dbraw/zinc/19/59/85/1075195985.db2.gz RTCMQVFRAPMICC-LJQANCHMSA-N 0 3 412.538 1.808 20 0 HDADHN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)no1 ZINC000531583179 1075206202 /nfs/dbraw/zinc/20/62/02/1075206202.db2.gz HVTMPLLKHUVGRE-SJORKVTESA-N 0 3 423.583 1.670 20 0 HDADHN C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C(=O)N1c1cnn(C)c1 ZINC000675576130 1075209920 /nfs/dbraw/zinc/20/99/20/1075209920.db2.gz GJBKSFMMGDBTQG-KPFFTGBYSA-N 0 3 410.522 1.830 20 0 HDADHN CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc(OC)nn1)c1cccc(OC)c1 ZINC000556507145 1075210267 /nfs/dbraw/zinc/21/02/67/1075210267.db2.gz RKFKILHZAUJKHZ-MRXNPFEDSA-N 0 3 401.467 1.632 20 0 HDADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675582081 1075212568 /nfs/dbraw/zinc/21/25/68/1075212568.db2.gz SMDPWMVEEZGVKC-NZQKXSOJSA-N 0 3 414.550 1.714 20 0 HDADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000572169812 1075228656 /nfs/dbraw/zinc/22/86/56/1075228656.db2.gz LKLHBCPVNPMPEZ-GOSISDBHSA-N 0 3 410.522 2.144 20 0 HDADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000572169813 1075229817 /nfs/dbraw/zinc/22/98/17/1075229817.db2.gz LKLHBCPVNPMPEZ-SFHVURJKSA-N 0 3 410.522 2.144 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC(C(=O)Nc3cc(C)on3)CC2)CC1 ZINC000466115436 1075232074 /nfs/dbraw/zinc/23/20/74/1075232074.db2.gz LFDFDZUBQHWVSJ-INIZCTEOSA-N 0 3 420.558 1.617 20 0 HDADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000675597642 1075236123 /nfs/dbraw/zinc/23/61/23/1075236123.db2.gz NCUAZKOKAHSCAD-MRXNPFEDSA-N 0 3 405.524 1.653 20 0 HDADHN COC(=O)[C@H]1CCN(CC(=O)NCc2cc(OC)c(OC)cc2OC)[C@H]1C(C)C ZINC000429375234 1075265640 /nfs/dbraw/zinc/26/56/40/1075265640.db2.gz YCLBBYSXGPJUTA-YWZLYKJASA-N 0 3 408.495 1.848 20 0 HDADHN CC(C)(C)NS(=O)(=O)c1ccccc1CNC1CCN(S(C)(=O)=O)CC1 ZINC000675771370 1075268769 /nfs/dbraw/zinc/26/87/69/1075268769.db2.gz OYMSNMMYURRGSE-UHFFFAOYSA-N 0 3 403.570 1.277 20 0 HDADHN C[C@@H](CNC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)CN1CCN(C)CC1 ZINC000429381808 1075275059 /nfs/dbraw/zinc/27/50/59/1075275059.db2.gz BICJXCCFMJLYMO-MAUKXSAKSA-N 0 3 407.946 1.628 20 0 HDADHN C[C@@H](NCCN1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1Br ZINC000675816956 1075276675 /nfs/dbraw/zinc/27/66/75/1075276675.db2.gz IQJRDZJFUYHBEY-GFCCVEGCSA-N 0 3 408.337 1.816 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000675826652 1075279041 /nfs/dbraw/zinc/27/90/41/1075279041.db2.gz PLNRNUONQRNORJ-MSOLQXFVSA-N 0 3 407.559 1.162 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2nnc(Cc3ccccc3)s2)CC1 ZINC000675826985 1075279243 /nfs/dbraw/zinc/27/92/43/1075279243.db2.gz AUTWWSLALMHCNW-MRXNPFEDSA-N 0 3 414.535 1.899 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2nnc(Cc3ccccc3)s2)CC1 ZINC000675826984 1075279352 /nfs/dbraw/zinc/27/93/52/1075279352.db2.gz AUTWWSLALMHCNW-INIZCTEOSA-N 0 3 414.535 1.899 20 0 HDADHN Cc1cc(C)c(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(Cl)c1 ZINC000675937443 1075298494 /nfs/dbraw/zinc/29/84/94/1075298494.db2.gz STWFKLWAPHIHSE-MRXNPFEDSA-N 0 3 406.914 1.660 20 0 HDADHN CCOC(=O)c1cn(C)nc1NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000498189552 1075321148 /nfs/dbraw/zinc/32/11/48/1075321148.db2.gz KWTNKKOREQUZKA-UHFFFAOYSA-N 0 3 415.494 1.875 20 0 HDADHN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CN1Cc1ccccc1 ZINC000676099072 1075365814 /nfs/dbraw/zinc/36/58/14/1075365814.db2.gz BQFBNACBWMZXLW-SJLPKXTDSA-N 0 3 404.474 1.985 20 0 HDADHN CNC(=O)c1ccc(CN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C2CC2)cc1 ZINC000731487678 1075367188 /nfs/dbraw/zinc/36/71/88/1075367188.db2.gz VHCUZWGXRLTDHD-HXUWFJFHSA-N 0 3 422.485 1.888 20 0 HDADHN CN(C)CCn1c2cc(NC(=O)C(=O)N(C)CCOC(C)(C)C)ccc2oc1=O ZINC000676102304 1075383415 /nfs/dbraw/zinc/38/34/15/1075383415.db2.gz ZRHPKYFKGNFVDU-UHFFFAOYSA-N 0 3 406.483 1.368 20 0 HDADHN COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)n2)cc1 ZINC000426502258 1075398112 /nfs/dbraw/zinc/39/81/12/1075398112.db2.gz ZPXUFRCGECUXQD-SFHVURJKSA-N 0 3 411.506 1.965 20 0 HDADHN Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000544160675 1075447710 /nfs/dbraw/zinc/44/77/10/1075447710.db2.gz PGTXUXQRGZMUSD-UHFFFAOYSA-N 0 3 404.559 1.779 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)CCC(=O)N2CCOc3ccccc32)CC1 ZINC000731687449 1075449465 /nfs/dbraw/zinc/44/94/65/1075449465.db2.gz OYHIXGOIAPMBBH-SFHVURJKSA-N 0 3 402.539 1.582 20 0 HDADHN C[C@@H]1CN(C(=O)NC2CCN(c3nccs3)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000466721484 1075452711 /nfs/dbraw/zinc/45/27/11/1075452711.db2.gz YUAUXTJXFFVXKP-AEFFLSMTSA-N 0 3 406.600 1.779 20 0 HDADHN CCNS(=O)(=O)CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000731679532 1075461743 /nfs/dbraw/zinc/46/17/43/1075461743.db2.gz MQAFHKIIFNAPOB-OAHLLOKOSA-N 0 3 402.586 1.760 20 0 HDADHN CS(=O)(=O)CCN1CCC(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000731683017 1075466032 /nfs/dbraw/zinc/46/60/32/1075466032.db2.gz YCXBIRMYLGLCIM-FQEVSTJZSA-N 0 3 422.595 1.459 20 0 HDADHN C[C@H](NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1)[C@H]1CN(C)CCO1 ZINC000676307444 1075493111 /nfs/dbraw/zinc/49/31/11/1075493111.db2.gz PLJXRZFGZPFRJY-PZJWPPBQSA-N 0 3 403.571 1.165 20 0 HDADHN CCNS(=O)(=O)CCNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000731758405 1075513609 /nfs/dbraw/zinc/51/36/09/1075513609.db2.gz CIAHCOWDBAPTOE-UHFFFAOYSA-N 0 3 424.489 1.718 20 0 HDADHN NC(=O)c1ncn2c1nc(-c1ccco1)cc2C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000676342294 1075516361 /nfs/dbraw/zinc/51/63/61/1075516361.db2.gz GIIGEEPTZXRRJR-AWEZNQCLSA-N 0 3 424.461 1.071 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000676343514 1075517516 /nfs/dbraw/zinc/51/75/16/1075517516.db2.gz SDWOWUQHLWEYBJ-CQSZACIVSA-N 0 3 410.400 1.664 20 0 HDADHN O=C(COc1ccccc1)N1CCC[C@H](C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000676344888 1075518301 /nfs/dbraw/zinc/51/83/01/1075518301.db2.gz UNQUBPKOWAVRCX-ICSRJNTNSA-N 0 3 415.534 1.674 20 0 HDADHN CN(C)C(=O)Nc1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c(Cl)c1 ZINC000676446551 1075556120 /nfs/dbraw/zinc/55/61/20/1075556120.db2.gz SOODWKALIYSUHK-QGZVFWFLSA-N 0 3 421.929 1.988 20 0 HDADHN Cc1cc(CNC(=O)C(=O)Nc2cc(C)nn2[C@H]2CCN(Cc3ccccc3)C2)[nH]n1 ZINC000676453240 1075558123 /nfs/dbraw/zinc/55/81/23/1075558123.db2.gz KLURSKDFVJETTN-IBGZPJMESA-N 0 3 421.505 1.925 20 0 HDADHN Cc1cc(NC(=O)C(=O)NCC(C)(C)CO)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000676455018 1075559366 /nfs/dbraw/zinc/55/93/66/1075559366.db2.gz GTMYERFILZVNQM-SFHVURJKSA-N 0 3 413.522 1.712 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)C2(OCc3ccccc3)CCOCC2)CC1 ZINC000676471177 1075562658 /nfs/dbraw/zinc/56/26/58/1075562658.db2.gz ASWDPBIUPDVHFL-HXUWFJFHSA-N 0 3 415.534 1.693 20 0 HDADHN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000504531065 1075569886 /nfs/dbraw/zinc/56/98/86/1075569886.db2.gz AOMXHXKPCDBQPX-MOPGFXCFSA-N 0 3 417.579 1.364 20 0 HDADHN CCn1c(=O)c2ccccc2n(CC(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1=O ZINC000732002541 1075584358 /nfs/dbraw/zinc/58/43/58/1075584358.db2.gz UQCBZLKNEYIQDT-QGZVFWFLSA-N 0 3 408.502 1.820 20 0 HDADHN CN(CCN1CCN(C(=O)NCCC2(O)CCOCC2)CC1)Cc1ccccc1 ZINC000509422995 1075597787 /nfs/dbraw/zinc/59/77/87/1075597787.db2.gz MTKLPOPJIUMPDQ-UHFFFAOYSA-N 0 3 404.555 1.377 20 0 HDADHN COC(=O)c1ccsc1N1CC[C@H](N2CCC(CN3CCOCC3)CC2)C1=O ZINC000466736257 1075606780 /nfs/dbraw/zinc/60/67/80/1075606780.db2.gz QTEBODWBPFEJOP-KRWDZBQOSA-N 0 3 407.536 1.684 20 0 HDADHN CCN(C(=O)Cc1c(C)nc2nc(N)nn2c1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546975108 1075615406 /nfs/dbraw/zinc/61/54/06/1075615406.db2.gz MXWIDROQPRELGQ-GOSISDBHSA-N 0 3 407.522 1.989 20 0 HDADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000676615334 1075616735 /nfs/dbraw/zinc/61/67/35/1075616735.db2.gz QBOHFCZVGXCVHA-OAHLLOKOSA-N 0 3 409.437 1.939 20 0 HDADHN COc1ccccc1Nc1nc(N)nc(CN2CCCN(C[C@H]3CCCO3)CC2)n1 ZINC000606437487 1075640896 /nfs/dbraw/zinc/64/08/96/1075640896.db2.gz UUMYKHOKFYVKKF-MRXNPFEDSA-N 0 3 413.526 1.315 20 0 HDADHN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@H]2CCN(C3CC3)C2)c1 ZINC000732166163 1075644620 /nfs/dbraw/zinc/64/46/20/1075644620.db2.gz LUYSQIQFLHQYPX-AWEZNQCLSA-N 0 3 415.943 1.573 20 0 HDADHN CNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000676722394 1075667549 /nfs/dbraw/zinc/66/75/49/1075667549.db2.gz FHZKSWLRSLUZRL-JKSUJKDBSA-N 0 3 414.597 1.854 20 0 HDADHN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)CC1=O ZINC000429461317 1075672585 /nfs/dbraw/zinc/67/25/85/1075672585.db2.gz IYCKKAHMMNSTBD-HPUSYDDDSA-N 0 3 406.571 1.917 20 0 HDADHN CN(C)C1(CNC(=O)C(=O)N[C@@H]2CCc3ccccc3OC2)Cc2ccccc2C1 ZINC000506431097 1075675663 /nfs/dbraw/zinc/67/56/63/1075675663.db2.gz TXVPPGHKBKONGB-HXUWFJFHSA-N 0 3 407.514 1.712 20 0 HDADHN CN(C)S(=O)(=O)c1ccsc1C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000732307992 1075695306 /nfs/dbraw/zinc/69/53/06/1075695306.db2.gz PQGOHTSDQAHAMD-AWEZNQCLSA-N 0 3 401.554 1.372 20 0 HDADHN C[C@@H]1CN(CCCNc2cc(NCCCN3C[C@@H](C)O[C@@H](C)C3)ncn2)C[C@@H](C)O1 ZINC000439831673 1075701765 /nfs/dbraw/zinc/70/17/65/1075701765.db2.gz VYDZEKQQQFVCBF-WTGUMLROSA-N 0 3 420.602 2.299 20 0 HDADHN C[C@H](OC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000732339651 1075709963 /nfs/dbraw/zinc/70/99/63/1075709963.db2.gz QSDLLHDPUVHMTN-YOEHRIQHSA-N 0 3 421.453 1.506 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cccc(CNc2ccncn2)c1 ZINC000542602910 1075715171 /nfs/dbraw/zinc/71/51/71/1075715171.db2.gz OGUPJVPNHVFELI-LJQANCHMSA-N 0 3 410.522 1.761 20 0 HDADHN O=C(NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000509258034 1075734371 /nfs/dbraw/zinc/73/43/71/1075734371.db2.gz WWESPPRKXIXOAM-HZPDHXFCSA-N 0 3 410.565 1.414 20 0 HDADHN CN(CCN1CCN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1)Cc1ccccc1 ZINC000429475907 1075739730 /nfs/dbraw/zinc/73/97/30/1075739730.db2.gz ZTIWRTXWLXXPQH-HXUWFJFHSA-N 0 3 415.582 1.845 20 0 HDADHN C[C@@H]1CCN(C)CCN1C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509259556 1075745395 /nfs/dbraw/zinc/74/53/95/1075745395.db2.gz VNCUIFSDIUICEM-CABCVRRESA-N 0 3 400.570 1.494 20 0 HDADHN CN(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000732465997 1075753607 /nfs/dbraw/zinc/75/36/07/1075753607.db2.gz PBUWFUADNUUERO-HDMKZQKVSA-N 0 3 406.914 1.950 20 0 HDADHN CCOc1ccc(CNC(=O)N2CCN(C(=O)CN(CC)CC)CC2)cc1OC ZINC000509264328 1075760791 /nfs/dbraw/zinc/76/07/91/1075760791.db2.gz QPPYWIKGMPFVLN-UHFFFAOYSA-N 0 3 406.527 1.790 20 0 HDADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC000429102937 1075790774 /nfs/dbraw/zinc/79/07/74/1075790774.db2.gz MFPRWYZNDCJQSX-ZBFHGGJFSA-N 0 3 422.489 2.334 20 0 HDADHN CNC(=O)Cn1nc(NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc1C ZINC000504551315 1075819445 /nfs/dbraw/zinc/81/94/45/1075819445.db2.gz ATTDEGFCNMLJDZ-UHFFFAOYSA-N 0 3 408.453 1.811 20 0 HDADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C(=O)OC)ccc1-n1cc(C)cn1 ZINC000611099768 1075843539 /nfs/dbraw/zinc/84/35/39/1075843539.db2.gz SDXKYWRYBZCZSD-MRXNPFEDSA-N 0 3 413.478 1.506 20 0 HDADHN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000429295051 1075846302 /nfs/dbraw/zinc/84/63/02/1075846302.db2.gz AAXRUZACVJHQPF-BZSNNMDCSA-N 0 3 418.538 1.749 20 0 HDADHN CCN1C[C@H](C)N(CC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)C[C@H]1C ZINC000611225411 1075880631 /nfs/dbraw/zinc/88/06/31/1075880631.db2.gz WIQIOKORADQSGB-NEPJUHHUSA-N 0 3 411.524 1.983 20 0 HDADHN COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000611244250 1075885343 /nfs/dbraw/zinc/88/53/43/1075885343.db2.gz NCBNOXYDXLVGRF-DNVCBOLYSA-N 0 3 416.522 1.523 20 0 HDADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000732897087 1075900505 /nfs/dbraw/zinc/90/05/05/1075900505.db2.gz SVPPKVTWMYDNDX-KRWDZBQOSA-N 0 3 416.522 1.699 20 0 HDADHN COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000611327233 1075907506 /nfs/dbraw/zinc/90/75/06/1075907506.db2.gz PWEZBEMTIBUSEM-IAGOWNOFSA-N 0 3 410.559 1.550 20 0 HDADHN CC1CCN([C@H](CNC(=O)N(CCO)CCN2CCOCC2)c2ccccc2)CC1 ZINC000489678237 1075925960 /nfs/dbraw/zinc/92/59/60/1075925960.db2.gz LZWZDNORIRJQIC-JOCHJYFZSA-N 0 3 418.582 1.796 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2scc(C(=O)OC)c2C)CC1 ZINC000611456668 1075938874 /nfs/dbraw/zinc/93/88/74/1075938874.db2.gz LFCDWUVNDQNCBS-CYBMUJFWSA-N 0 3 410.540 1.171 20 0 HDADHN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC2(CCN(Cc3ccccn3)CC2)[C@H]2COC[C@H]21 ZINC001079252487 1075967537 /nfs/dbraw/zinc/96/75/37/1075967537.db2.gz LEGOOLYEQLRLAM-CSGHFTSRSA-N 0 3 409.530 1.944 20 0 HDADHN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000733152007 1075987293 /nfs/dbraw/zinc/98/72/93/1075987293.db2.gz PEDFZWOLRGDEKN-UHFFFAOYSA-N 0 3 410.522 1.796 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000733159236 1075993141 /nfs/dbraw/zinc/99/31/41/1075993141.db2.gz MVDTXBWCUXLSSD-CQSZACIVSA-N 0 3 421.343 1.786 20 0 HDADHN CCN1CCN(CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000733162918 1075995385 /nfs/dbraw/zinc/99/53/85/1075995385.db2.gz XIAFLQGPZLEGFB-LJQANCHMSA-N 0 3 404.555 1.876 20 0 HDADHN COC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 ZINC000733197935 1076003238 /nfs/dbraw/zinc/00/32/38/1076003238.db2.gz VQQPIOVHTQXDHQ-WKSDAVQWSA-N 0 3 421.563 1.490 20 0 HDADHN COC[C@H]1CCCN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)C1 ZINC000733184910 1076011559 /nfs/dbraw/zinc/01/15/59/1076011559.db2.gz ZABMRXXMVCVTGD-SIKLNZKXSA-N 0 3 400.523 1.889 20 0 HDADHN CNS(=O)(=O)[C@H]1CCCN(C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000733210766 1076013336 /nfs/dbraw/zinc/01/33/36/1076013336.db2.gz DLBNQZBWIFZVIV-SFHVURJKSA-N 0 3 410.609 1.539 20 0 HDADHN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NCCN3CCC(C)CC3)C2)no1 ZINC000513992795 1076014292 /nfs/dbraw/zinc/01/42/92/1076014292.db2.gz VCBGZZLNQVKSGS-QGZVFWFLSA-N 0 3 406.531 1.496 20 0 HDADHN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@@H](CC)CO ZINC000727057731 1076034750 /nfs/dbraw/zinc/03/47/50/1076034750.db2.gz GHSZNRQPMFZXFD-HNNXBMFYSA-N 0 3 413.540 1.559 20 0 HDADHN CC(=O)NCc1ccc(NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)cc1 ZINC000733663289 1076143922 /nfs/dbraw/zinc/14/39/22/1076143922.db2.gz APAYFMJACKAWFJ-UHFFFAOYSA-N 0 3 410.518 1.894 20 0 HDADHN O=C(CN[C@]1(CO)CCCN(Cc2ccccc2)C1)NC(=O)NCc1cccs1 ZINC000733898335 1076258900 /nfs/dbraw/zinc/25/89/00/1076258900.db2.gz QOPSUSIMYGOVNH-OAQYLSRUSA-N 0 3 416.547 1.691 20 0 HDADHN COc1cc(CNC[C@](C)(O)c2ccc(F)cc2F)cc(OC)c1OCC(N)=O ZINC000734003957 1076288890 /nfs/dbraw/zinc/28/88/90/1076288890.db2.gz CWSHBIXCSLJZFX-FQEVSTJZSA-N 0 3 410.417 1.843 20 0 HDADHN CCCOC(=O)c1ccc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000728060059 1076314357 /nfs/dbraw/zinc/31/43/57/1076314357.db2.gz NPPBHYDGCVEXSA-INIZCTEOSA-N 0 3 411.524 1.119 20 0 HDADHN CN(Cc1ccccc1)C[C@H](O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000728065525 1076315116 /nfs/dbraw/zinc/31/51/16/1076315116.db2.gz KTEFOVXDIZXTTO-ZDUSSCGKSA-N 0 3 406.284 1.385 20 0 HDADHN O=C(CN1CCC[C@H](C2OCCO2)C1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000728052666 1076320068 /nfs/dbraw/zinc/32/00/68/1076320068.db2.gz ATISQBDHSPFSQH-KRWDZBQOSA-N 0 3 402.495 1.448 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)Cn3nnc4ccccc4c3=O)c(C)c2)CC1 ZINC000029376377 1076362707 /nfs/dbraw/zinc/36/27/07/1076362707.db2.gz UBIKVDTZCGHUAD-UHFFFAOYSA-N 0 3 406.490 1.881 20 0 HDADHN COCCN1CCC[C@H](NC(=O)CN2C(=S)N=NC2c2ccc(OC)cc2)C1 ZINC000730036031 1076414011 /nfs/dbraw/zinc/41/40/11/1076414011.db2.gz HLAFTHIFBWZXEL-HNNXBMFYSA-N 0 3 405.524 1.469 20 0 HDADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1c(F)cccc1-n1cccn1 ZINC000730389207 1076568401 /nfs/dbraw/zinc/56/84/01/1076568401.db2.gz NRNSXPARNRMJTQ-OAHLLOKOSA-N 0 3 403.458 1.519 20 0 HDADHN Cc1cccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C2=O)c1 ZINC000730774137 1076650362 /nfs/dbraw/zinc/65/03/62/1076650362.db2.gz VBAGBIMTXILYSV-RCCFBDPRSA-N 0 3 400.479 1.179 20 0 HDADHN CN(C[C@@H]1CCCOC1)CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000730803541 1076655125 /nfs/dbraw/zinc/65/51/25/1076655125.db2.gz JZHKACOUPXXKNM-UGKGYDQZSA-N 0 3 400.523 1.889 20 0 HDADHN COCCN1CC[C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC000730841937 1076671168 /nfs/dbraw/zinc/67/11/68/1076671168.db2.gz SBFQZIXIRPLYRP-XXBNENTESA-N 0 3 424.501 1.444 20 0 HDADHN NS(=O)(=O)c1ccc(CCN2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000730940099 1076699076 /nfs/dbraw/zinc/69/90/76/1076699076.db2.gz VRVMXKQRACJNOK-KRWDZBQOSA-N 0 3 406.483 1.912 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)C)c1 ZINC000731007013 1076709215 /nfs/dbraw/zinc/70/92/15/1076709215.db2.gz DXXDYDINOCKILO-HNNXBMFYSA-N 0 3 401.504 1.353 20 0 HDADHN Cc1nc(COc2ccc(NC(=O)C(=O)NC[C@H](C)N3CCCCC3)cc2)no1 ZINC000731125253 1076734099 /nfs/dbraw/zinc/73/40/99/1076734099.db2.gz DWVZWSNCKCONOV-AWEZNQCLSA-N 0 3 401.467 1.886 20 0 HDADHN CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cn1 ZINC000731134217 1076737219 /nfs/dbraw/zinc/73/72/19/1076737219.db2.gz KRAUSQWEBLVINP-HNNXBMFYSA-N 0 3 403.483 1.968 20 0 HDADHN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NC[C@H](C)N2CCN(CC)CC2)C1 ZINC000731232713 1076761309 /nfs/dbraw/zinc/76/13/09/1076761309.db2.gz HFUGKQOMQWFELC-PXNSSMCTSA-N 0 3 415.538 1.327 20 0 HDADHN Cc1cccc(C[C@@H](CO)NCc2ccccc2S(=O)(=O)N2CCOCC2)c1 ZINC000466917889 1126094310 /nfs/dbraw/zinc/09/43/10/1126094310.db2.gz GXOVYRPSMPKQAX-FQEVSTJZSA-N 0 3 404.532 1.709 20 0 HDADHN CNC(=O)CN1CCCC12CCN(c1cc(S(=O)(=O)N3CCCC3)ccn1)CC2 ZINC001164689532 719748981 /nfs/dbraw/zinc/74/89/81/719748981.db2.gz GOHZRKJSEMCJCS-UHFFFAOYSA-N 0 3 421.567 1.047 20 0 HDADHN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(CN2CCCC2)cn1 ZINC001164702334 719867267 /nfs/dbraw/zinc/86/72/67/719867267.db2.gz ILACOSYXRMXEND-DENIHFKCSA-N 0 3 402.539 1.910 20 0 HDADHN O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@@H]21 ZINC001164700763 719884207 /nfs/dbraw/zinc/88/42/07/719884207.db2.gz KZQXMQHWYHTJCO-CEXWTWQISA-N 0 3 408.506 1.805 20 0 HDADHN O=C([C@@H]1COC[C@@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@@H]21)N1CCCCO1 ZINC001164704192 719920910 /nfs/dbraw/zinc/92/09/10/719920910.db2.gz OVVNMJKBMSLFDS-SLFFLAALSA-N 0 3 400.523 1.930 20 0 HDADHN CN(Cc1ccc(N2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)nc1)C1CC1 ZINC001164703620 719922672 /nfs/dbraw/zinc/92/26/72/719922672.db2.gz LCJHFDXKKPOFQP-MISYRCLQSA-N 0 3 400.523 1.929 20 0 HDADHN O=C(N[C@@H]1CN(c2ccc(CN3CCCC3)cn2)C[C@H]2CCCO[C@H]21)c1cnccn1 ZINC001164716831 720055179 /nfs/dbraw/zinc/05/51/79/720055179.db2.gz XLUSRWYASIOPGQ-SYYKKAFVSA-N 0 3 422.533 1.881 20 0 HDADHN O=C(N[C@@H]1CN(c2ncccc2CN2CCCC2)C[C@H]2CCCO[C@@H]21)c1cnccn1 ZINC001164717926 720055849 /nfs/dbraw/zinc/05/58/49/720055849.db2.gz ZGYOVBKTFMIRFX-UIFIKXQLSA-N 0 3 422.533 1.881 20 0 HDADHN c1cncc(CN2CC[C@H]3[C@@H]2CCN3c2nc(N3CCOCC3)nc3c2CCN3)c1 ZINC001164721343 720361156 /nfs/dbraw/zinc/36/11/56/720361156.db2.gz BTHIJHWJLSNXRT-OALUTQOASA-N 0 3 407.522 1.529 20 0 HDADHN Cc1nc(CN2CCN(C)C3(CCN(c4cc(CN)ncn4)CC3)C2=O)cs1 ZINC001164825739 720365191 /nfs/dbraw/zinc/36/51/91/720365191.db2.gz ULFVRUZZFDXVLX-UHFFFAOYSA-N 0 3 401.540 1.013 20 0 HDADHN COc1cc2ncc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2cc1OC ZINC001164736960 720687322 /nfs/dbraw/zinc/68/73/22/720687322.db2.gz COMOHMKEFGERSJ-CABCVRRESA-N 0 3 408.462 1.779 20 0 HDADHN CCOC(=O)c1ccc2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164736666 720698271 /nfs/dbraw/zinc/69/82/71/720698271.db2.gz AHNHTPDVGVVWDA-IRXDYDNUSA-N 0 3 420.473 1.938 20 0 HDADHN CON(C)C(=O)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164737598 720706659 /nfs/dbraw/zinc/70/66/59/720706659.db2.gz GNDVMCGPMIGJMX-CABCVRRESA-N 0 3 418.885 1.500 20 0 HDADHN CCc1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(N2CCOCC2)n1 ZINC001164746937 720731255 /nfs/dbraw/zinc/73/12/55/720731255.db2.gz ZBVJRKZNRDLTLB-MSOLQXFVSA-N 0 3 411.510 1.008 20 0 HDADHN COC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164871417 721047655 /nfs/dbraw/zinc/04/76/55/721047655.db2.gz YQOMOAZKHASDKU-CABCVRRESA-N 0 3 403.870 1.791 20 0 HDADHN COC(=O)c1nc(Cl)cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164880669 721166593 /nfs/dbraw/zinc/16/65/93/721166593.db2.gz WVFLZYDNJFVJMG-LSDHHAIUSA-N 0 3 403.870 1.791 20 0 HDADHN O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ccc(CN2CCCC2)cn1)c1ccnnc1 ZINC001164880773 721323116 /nfs/dbraw/zinc/32/31/16/721323116.db2.gz ZCAZBFRAXFNXKA-CZTZKLFOSA-N 0 3 422.533 1.881 20 0 HDADHN O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2c1ncccc1CN1CCCC1)c1ccnnc1 ZINC001164878592 721324587 /nfs/dbraw/zinc/32/45/87/721324587.db2.gz PBROPXDMVIUKOY-YYWHXJBOSA-N 0 3 422.533 1.881 20 0 HDADHN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc4c(nn3)CCNC4)C2)C1 ZINC001164780104 721359000 /nfs/dbraw/zinc/35/90/00/721359000.db2.gz DHISHJPUKLYMRI-QFIPXVFZSA-N 0 3 412.538 1.846 20 0 HDADHN Cc1nc(-n2cncn2)cc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164894930 721445133 /nfs/dbraw/zinc/44/51/33/721445133.db2.gz NLBBTSLLITZPDP-RXVVDRJESA-N 0 3 412.542 1.131 20 0 HDADHN CCOC(=O)Cc1ccnc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c1 ZINC001164885396 721451637 /nfs/dbraw/zinc/45/16/37/721451637.db2.gz DNKUBAVJEOOXTO-OFNKIYASSA-N 0 3 416.566 1.953 20 0 HDADHN CCNS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164908686 721553212 /nfs/dbraw/zinc/55/32/12/721553212.db2.gz RQZZAQQPWVQXCC-FUHWJXTLSA-N 0 3 420.510 1.861 20 0 HDADHN CN1CCN(c2nccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164905407 721561064 /nfs/dbraw/zinc/56/10/64/721561064.db2.gz HGBFHVQMZIEMAK-QUCCMNQESA-N 0 3 412.513 1.709 20 0 HDADHN CN(Cc1ccc(N2C[C@H](NC(=O)c3cnn(C)c3)[C@@H]3OCCC[C@H]32)nc1)C1CC1 ZINC001165013410 721757846 /nfs/dbraw/zinc/75/78/46/721757846.db2.gz LNGGBBDVLQXKND-ZVDOUQERSA-N 0 3 410.522 1.576 20 0 HDADHN Cn1cc(C(=O)N[C@@H]2CN(c3ncccc3CN3CCCC3)[C@@H]3CCCO[C@@H]23)cn1 ZINC001165013511 721758143 /nfs/dbraw/zinc/75/81/43/721758143.db2.gz MZYQNGWAJNNPRZ-AQNXPRMDSA-N 0 3 410.522 1.577 20 0 HDADHN c1cncc(CN2CCO[C@H]3CN(c4cc(N5CCOCC5)ncn4)CC[C@H]3C2)c1 ZINC001164982800 722102856 /nfs/dbraw/zinc/10/28/56/722102856.db2.gz PDBYXZDMJJFLCC-PMACEKPBSA-N 0 3 410.522 1.436 20 0 HDADHN COC(=O)c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1OC ZINC001164978197 722103859 /nfs/dbraw/zinc/10/38/59/722103859.db2.gz GDNZEGXEKQASLC-FXAWDEMLSA-N 0 3 412.490 1.999 20 0 HDADHN c1cncc(CN2CCO[C@@H]3CN(c4ccnc(N5CCOCC5)n4)CC[C@H]3C2)c1 ZINC001164981042 722128816 /nfs/dbraw/zinc/12/88/16/722128816.db2.gz SEQDDBITKPTWGQ-VQTJNVASSA-N 0 3 410.522 1.436 20 0 HDADHN c1cncc(CN2CCO[C@@H]3CN(c4ccnc(N5CCOCC5)n4)CC[C@@H]3C2)c1 ZINC001164981044 722129220 /nfs/dbraw/zinc/12/92/20/722129220.db2.gz SEQDDBITKPTWGQ-WOJBJXKFSA-N 0 3 410.522 1.436 20 0 HDADHN CC1(C)C(=O)Nc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164979674 722136923 /nfs/dbraw/zinc/13/69/23/722136923.db2.gz LSOLBWBAHKUSFN-IAGOWNOFSA-N 0 3 408.506 1.829 20 0 HDADHN O=c1ccccn1-c1nccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984171 722145687 /nfs/dbraw/zinc/14/56/87/722145687.db2.gz VZGLUORVFBXXCA-PMACEKPBSA-N 0 3 418.501 1.750 20 0 HDADHN Cc1nc(-n2cncn2)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979730 722152030 /nfs/dbraw/zinc/15/20/30/722152030.db2.gz LVDILHCNFYSZSY-RBUKOAKNSA-N 0 3 406.494 1.488 20 0 HDADHN Cc1nc(-n2cncn2)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979729 722152089 /nfs/dbraw/zinc/15/20/89/722152089.db2.gz LVDILHCNFYSZSY-OALUTQOASA-N 0 3 406.494 1.488 20 0 HDADHN CN(C)C1(CNC(=O)C(=O)NCCN2Cc3ccccc3C2)Cc2ccccc2C1 ZINC000671395512 1073472342 /nfs/dbraw/zinc/47/23/42/1073472342.db2.gz XHKMSHAWPZFXJC-UHFFFAOYSA-N 0 3 406.530 1.334 20 0 HDADHN COC(=O)Nc1cc(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1F ZINC000766018298 1073620236 /nfs/dbraw/zinc/62/02/36/1073620236.db2.gz DLEFDINOSKGPHT-INIZCTEOSA-N 0 3 407.446 1.774 20 0 HDADHN NC(=O)c1ccccc1N1CC[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000673668655 1073621814 /nfs/dbraw/zinc/62/18/14/1073621814.db2.gz PWGQGTYAZVFWLE-KRWDZBQOSA-N 0 3 400.523 1.516 20 0 HDADHN C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000673716690 1073648809 /nfs/dbraw/zinc/64/88/09/1073648809.db2.gz YVJHCMCFSKNYOR-QFBILLFUSA-N 0 3 416.547 1.867 20 0 HDADHN COCCN1CCC(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000303069383 1073658966 /nfs/dbraw/zinc/65/89/66/1073658966.db2.gz WQUVTVRPJKVRHF-UHFFFAOYSA-N 0 3 423.311 1.386 20 0 HDADHN CCN(CCCNC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)S(C)(=O)=O ZINC000673772253 1073704575 /nfs/dbraw/zinc/70/45/75/1073704575.db2.gz UDCJYXISWXMWRG-SFHVURJKSA-N 0 3 410.584 1.964 20 0 HDADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000673783357 1073721643 /nfs/dbraw/zinc/72/16/43/1073721643.db2.gz SZQRPJDEPVLECZ-QGZVFWFLSA-N 0 3 404.511 1.019 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CC1 ZINC000673817286 1073772585 /nfs/dbraw/zinc/77/25/85/1073772585.db2.gz RDIHRACWGBWNTO-VQTJNVASSA-N 0 3 402.514 1.731 20 0 HDADHN C[C@@H]1C[C@H](NC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CN1Cc1ccccc1 ZINC000466541960 1073799219 /nfs/dbraw/zinc/79/92/19/1073799219.db2.gz SSZGIYJEKYGUOR-PBHICJAKSA-N 0 3 422.489 1.417 20 0 HDADHN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000673839861 1073805672 /nfs/dbraw/zinc/80/56/72/1073805672.db2.gz HDODZXYCFAVNQN-RTWAWAEBSA-N 0 3 404.530 1.313 20 0 HDADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N(C)CCCC[NH+](C)C)CCCC1 ZINC000673841814 1073807362 /nfs/dbraw/zinc/80/73/62/1073807362.db2.gz HXIAWVKBFLQISJ-UHFFFAOYSA-N 0 3 400.545 1.683 20 0 HDADHN NC(=O)c1cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ccc1F ZINC000673875735 1073841940 /nfs/dbraw/zinc/84/19/40/1073841940.db2.gz DSGXYLGPXKXTGI-BEFAXECRSA-N 0 3 400.454 1.929 20 0 HDADHN O=C(NCc1cc2c([nH]c1=O)CCC2)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000673878773 1073849314 /nfs/dbraw/zinc/84/93/14/1073849314.db2.gz OTISUEMTWOIOBE-CTNGQTDRSA-N 0 3 410.518 1.958 20 0 HDADHN C[C@@H](N[C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000543497598 1073849821 /nfs/dbraw/zinc/84/98/21/1073849821.db2.gz UKPWQVLBOOMISB-KDOFPFPSSA-N 0 3 424.567 1.678 20 0 HDADHN CC(C)NS(=O)(=O)NCCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000429183681 1073993108 /nfs/dbraw/zinc/99/31/08/1073993108.db2.gz PCWYKQNSQARGDU-SFHVURJKSA-N 0 3 411.572 1.125 20 0 HDADHN CCc1cc(N2CCC(NC(=O)C(=O)N(CCN(C)C)CC(C)C)CC2)ncn1 ZINC000674015745 1074072904 /nfs/dbraw/zinc/07/29/04/1074072904.db2.gz ZBUIZXOCWWAMCT-UHFFFAOYSA-N 0 3 404.559 1.170 20 0 HDADHN C[C@H](NCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)[C@@H]1COc2ccccc21 ZINC000543555491 1074082621 /nfs/dbraw/zinc/08/26/21/1074082621.db2.gz TYVHXJLTFZZQJF-ZMMAXQRCSA-N 0 3 422.547 1.335 20 0 HDADHN C[C@H](NCC[S@](=O)C(C)(C)C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000766054355 1074092867 /nfs/dbraw/zinc/09/28/67/1074092867.db2.gz USXMCNBPPWZRNE-MQNRADLISA-N 0 3 402.582 1.905 20 0 HDADHN C[C@@H](NCC[S@](=O)C(C)(C)C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000766054353 1074092978 /nfs/dbraw/zinc/09/29/78/1074092978.db2.gz USXMCNBPPWZRNE-BZQUYTCOSA-N 0 3 402.582 1.905 20 0 HDADHN CC(C)(CNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O)N1CCCCC1 ZINC000543562238 1074118291 /nfs/dbraw/zinc/11/82/91/1074118291.db2.gz JELAIRIYSISHKK-UHFFFAOYSA-N 0 3 422.551 1.328 20 0 HDADHN CCNC(=O)c1ccc(NC(=O)N2CCN(C(=O)CN(CC)CC)CC2)c(C)c1 ZINC000509214502 1074156667 /nfs/dbraw/zinc/15/66/67/1074156667.db2.gz XNEIPHXRBMCWLH-UHFFFAOYSA-N 0 3 403.527 1.763 20 0 HDADHN COCC(=O)NC1CCN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000674181498 1074200121 /nfs/dbraw/zinc/20/01/21/1074200121.db2.gz CSQYMGMQEYRQNN-UHFFFAOYSA-N 0 3 418.538 1.080 20 0 HDADHN Cc1ccc([C@H](CNC(=O)CNS(=O)(=O)c2ccccc2N)N2CCCC2)cc1 ZINC000670467634 1074201119 /nfs/dbraw/zinc/20/11/19/1074201119.db2.gz KYGHSGYZGOQYIY-IBGZPJMESA-N 0 3 416.547 1.809 20 0 HDADHN CC[C@H](C)N(C)CCn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001545674891 1074232089 /nfs/dbraw/zinc/23/20/89/1074232089.db2.gz MYXXCGAPSUXWGB-FUHWJXTLSA-N 0 3 420.583 1.618 20 0 HDADHN CN1CC[C@@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)[C@H]1c1ccccc1 ZINC000429224609 1074245855 /nfs/dbraw/zinc/24/58/55/1074245855.db2.gz YJPKBDGWXOEELV-AUUYWEPGSA-N 0 3 408.462 1.944 20 0 HDADHN COC1CCN(CCNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 ZINC000674309801 1074268054 /nfs/dbraw/zinc/26/80/54/1074268054.db2.gz MBNMUHBNXRYVLQ-UHFFFAOYSA-N 0 3 415.581 1.302 20 0 HDADHN COC1CCN(CCNC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000674328945 1074278172 /nfs/dbraw/zinc/27/81/72/1074278172.db2.gz UTJQDJHMWZPPJD-UHFFFAOYSA-N 0 3 424.567 1.381 20 0 HDADHN COc1ccc(CN2CC[C@@H](NC(=O)NCCN3CCC(OC)CC3)C2=O)cc1 ZINC000674329788 1074279011 /nfs/dbraw/zinc/27/90/11/1074279011.db2.gz OBLDZDYKMIFGRL-LJQANCHMSA-N 0 3 404.511 1.206 20 0 HDADHN COc1ccc(-c2cc(C(=O)N3CCN([C@@H]4CCC[C@@H]4O)CC3)n[nH]2)cc1OC ZINC000674360660 1074292011 /nfs/dbraw/zinc/29/20/11/1074292011.db2.gz SKGLANWFWOYANL-MSOLQXFVSA-N 0 3 400.479 1.765 20 0 HDADHN O=C(CCN[C@@H](Cn1cccn1)c1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000674372046 1074299909 /nfs/dbraw/zinc/29/99/09/1074299909.db2.gz XHXUPQKHLSZLTF-FQEVSTJZSA-N 0 3 405.506 1.743 20 0 HDADHN CC1CCC(N2CCN(C(=O)NC[C@H]3CCC[C@@]34NC(=O)N(C)C4=O)CC2)CC1 ZINC000674441932 1074354769 /nfs/dbraw/zinc/35/47/69/1074354769.db2.gz XSAGXQPGHGDMCV-GJHAAPPPSA-N 0 3 405.543 1.613 20 0 HDADHN CCN1C(=O)[C@@H]2CN(CCC(=O)Nc3ccccc3Br)CCN2C1=O ZINC000674501964 1074397517 /nfs/dbraw/zinc/39/75/17/1074397517.db2.gz PYLRNHBGRKSZOU-AWEZNQCLSA-N 0 3 409.284 1.746 20 0 HDADHN CCN1C(=O)[C@H]2CN(CCC(=O)Nc3cccc(Br)c3)CCN2C1=O ZINC000674501573 1074397970 /nfs/dbraw/zinc/39/79/70/1074397970.db2.gz MOCJICZOUXOKMC-CQSZACIVSA-N 0 3 409.284 1.746 20 0 HDADHN C[C@@H](N[C@H]1Cc2cccc(O)c2C1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000429234654 1074452061 /nfs/dbraw/zinc/45/20/61/1074452061.db2.gz ZFXJTVSJGJZQHV-UTKZUKDTSA-N 0 3 409.530 1.986 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCc1c(F)c(F)cc(F)c1F ZINC000674624525 1074483345 /nfs/dbraw/zinc/48/33/45/1074483345.db2.gz HBTUNIAFNMXXMG-AWEZNQCLSA-N 0 3 404.408 1.985 20 0 HDADHN C[C@@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)c1noc(-c2ccccc2)n1 ZINC000674614263 1074484915 /nfs/dbraw/zinc/48/49/15/1074484915.db2.gz OKPDJYVZMIEHEO-MRXNPFEDSA-N 0 3 414.510 1.010 20 0 HDADHN CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000674639675 1074500162 /nfs/dbraw/zinc/50/01/62/1074500162.db2.gz XNTHEEWVNHOWDV-KKSFZXQISA-N 0 3 419.501 1.619 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCN(CC3CCCCC3)CC2)C1=O ZINC000674643990 1074502572 /nfs/dbraw/zinc/50/25/72/1074502572.db2.gz PRMKSXMEEWWILY-UTKZUKDTSA-N 0 3 405.543 1.614 20 0 HDADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(C)CC2(N(C)C)CCC2)c1 ZINC000509232250 1074505716 /nfs/dbraw/zinc/50/57/16/1074505716.db2.gz HQCVSUHARYKQCL-UHFFFAOYSA-N 0 3 417.597 1.822 20 0 HDADHN C[C@@H](C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674670574 1074520166 /nfs/dbraw/zinc/52/01/66/1074520166.db2.gz XEZSUMYWMGJFRH-RDTXWAMCSA-N 0 3 407.536 1.134 20 0 HDADHN COC1CCN(CCNC(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)CC1 ZINC000674696806 1074527680 /nfs/dbraw/zinc/52/76/80/1074527680.db2.gz HSJYMEMIABVBNT-UHFFFAOYSA-N 0 3 404.511 1.828 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCC(OCCCO)CC3)cc2)CC1 ZINC000674972202 1074648590 /nfs/dbraw/zinc/64/85/90/1074648590.db2.gz MWXCVKCVJBCFDX-UHFFFAOYSA-N 0 3 418.582 1.897 20 0 HDADHN Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nn1[C@@H](C)C1CC1 ZINC000542347143 1074724337 /nfs/dbraw/zinc/72/43/37/1074724337.db2.gz HTYLMDZNGIVDQN-PKOBYXMFSA-N 0 3 416.570 1.728 20 0 HDADHN Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)nn1[C@H](C)C1CC1 ZINC000542347140 1074727713 /nfs/dbraw/zinc/72/77/13/1074727713.db2.gz HTYLMDZNGIVDQN-MJGOQNOKSA-N 0 3 416.570 1.728 20 0 HDADHN COc1ccc(C(=O)CCN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 ZINC000509311134 1074731352 /nfs/dbraw/zinc/73/13/52/1074731352.db2.gz SVIBGGLBXJXPIF-UHFFFAOYSA-N 0 3 401.507 1.704 20 0 HDADHN C[C@H]1C[C@@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)CN1Cc1ccccc1 ZINC000675147308 1074744421 /nfs/dbraw/zinc/74/44/21/1074744421.db2.gz RARIGLAKRFWASQ-DOTOQJQBSA-N 0 3 403.504 1.492 20 0 HDADHN C[C@H](CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000766096814 1074754119 /nfs/dbraw/zinc/75/41/19/1074754119.db2.gz IFSJRTVCNLDYDM-ILXRZTDVSA-N 0 3 414.959 1.735 20 0 HDADHN C[C@H](CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000766096814 1074754126 /nfs/dbraw/zinc/75/41/26/1074754126.db2.gz IFSJRTVCNLDYDM-ILXRZTDVSA-N 0 3 414.959 1.735 20 0 HDADHN C[C@H](N[C@@H]1Cc2cccc(O)c2C1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000429321977 1074755778 /nfs/dbraw/zinc/75/57/78/1074755778.db2.gz GUIWZOQSWMOGDF-HEHGZKQESA-N 0 3 403.504 1.362 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000675221280 1074763309 /nfs/dbraw/zinc/76/33/09/1074763309.db2.gz WSPGASAOMMDXLV-MRXNPFEDSA-N 0 3 413.522 1.851 20 0 HDADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675295058 1074789583 /nfs/dbraw/zinc/78/95/83/1074789583.db2.gz JAQGBKHHPYDBSM-CZUORRHYSA-N 0 3 408.449 1.177 20 0 HDADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675318211 1074797707 /nfs/dbraw/zinc/79/77/07/1074797707.db2.gz UNOBYBBWBDMZJR-WBVHZDCISA-N 0 3 406.914 1.552 20 0 HDADHN C[C@H](NC[C@@H](O)c1ccsc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766109857 1074816470 /nfs/dbraw/zinc/81/64/70/1074816470.db2.gz PXYZATRRZZUXID-BLLLJJGKSA-N 0 3 418.562 1.858 20 0 HDADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000675379838 1075119140 /nfs/dbraw/zinc/11/91/40/1075119140.db2.gz QYNRHHAUYUTYDW-GUYCJALGSA-N 0 3 422.888 1.301 20 0 HDADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000675379837 1075119245 /nfs/dbraw/zinc/11/92/45/1075119245.db2.gz QYNRHHAUYUTYDW-DYVFJYSZSA-N 0 3 422.888 1.301 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1ccn([C@H](C)c2ccccc2)n1)CN1CCN(C)CC1 ZINC000675403614 1075128881 /nfs/dbraw/zinc/12/88/81/1075128881.db2.gz NCMGPWXFQFCEMU-QZTJIDSGSA-N 0 3 412.538 1.431 20 0 HDADHN COCCCn1ccc(NC(=O)C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)n1 ZINC000427476978 1075147259 /nfs/dbraw/zinc/14/72/59/1075147259.db2.gz TZBPLDREGIMTHJ-JOCHJYFZSA-N 0 3 413.522 2.029 20 0 HDADHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCC(CS(C)(=O)=O)CC1 ZINC000429253658 1075152105 /nfs/dbraw/zinc/15/21/05/1075152105.db2.gz KTXBLOATNDNPEL-XLIONFOSSA-N 0 3 407.580 1.522 20 0 HDADHN CCCNC(=O)c1cccc(CNC(=O)N2CCN(C(=O)CN(CC)CC)CC2)c1 ZINC000509339208 1075152681 /nfs/dbraw/zinc/15/26/81/1075152681.db2.gz AUFMVQMEYLYLKS-UHFFFAOYSA-N 0 3 417.554 1.522 20 0 HDADHN CCO[C@@H]1C[C@H](NCC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C1(CC)CC ZINC000429347575 1075154137 /nfs/dbraw/zinc/15/41/37/1075154137.db2.gz WRFVZROIVOZPGL-DLBZAZTESA-N 0 3 413.540 1.855 20 0 HDADHN Cc1ccc([C@@H](O)CN[C@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)o1 ZINC000766140868 1075160244 /nfs/dbraw/zinc/16/02/44/1075160244.db2.gz LNZJKQLLHJAIIO-CJNGLKHVSA-N 0 3 416.521 1.698 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)CCc2ccc(S(N)(=O)=O)cc2)c2ccccc2O1 ZINC000675490642 1075175643 /nfs/dbraw/zinc/17/56/43/1075175643.db2.gz LCXLPGJQSYKTNN-MRXNPFEDSA-N 0 3 403.504 1.622 20 0 HDADHN COC(=O)[C@H]1CCN(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)[C@H]1C(C)C ZINC000429353795 1075180271 /nfs/dbraw/zinc/18/02/71/1075180271.db2.gz KUDUHZZNNFJOKD-FPOVZHCZSA-N 0 3 415.534 1.927 20 0 HDADHN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000675511368 1075189801 /nfs/dbraw/zinc/18/98/01/1075189801.db2.gz FSQYRKXFYXDWQY-GJZGRUSLSA-N 0 3 421.494 1.848 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)c2ccccc2O1 ZINC000675512504 1075191451 /nfs/dbraw/zinc/19/14/51/1075191451.db2.gz PSGQADXMFFUTOW-OAHLLOKOSA-N 0 3 408.458 1.848 20 0 HDADHN CC(C)C[C@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000675537446 1075193842 /nfs/dbraw/zinc/19/38/42/1075193842.db2.gz AEHBMUNCQGDVHR-FUMNGEBKSA-N 0 3 417.550 1.722 20 0 HDADHN CC(C)C[C@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000675537447 1075193925 /nfs/dbraw/zinc/19/39/25/1075193925.db2.gz AEHBMUNCQGDVHR-UAFMIMERSA-N 0 3 417.550 1.722 20 0 HDADHN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000675537203 1075194185 /nfs/dbraw/zinc/19/41/85/1075194185.db2.gz ZPOGEVUWCTWJAI-QGZVFWFLSA-N 0 3 407.536 1.419 20 0 HDADHN CCOc1ccccc1N1C[C@@H](C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1=O ZINC000675536890 1075194573 /nfs/dbraw/zinc/19/45/73/1075194573.db2.gz NROZRFLGEIAPTM-FUHWJXTLSA-N 0 3 401.507 1.808 20 0 HDADHN COc1cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc(Cl)c1OCC(N)=O ZINC000675538437 1075194843 /nfs/dbraw/zinc/19/48/43/1075194843.db2.gz YUMPJAVVTQECBL-CQSZACIVSA-N 0 3 411.886 1.196 20 0 HDADHN Cc1oc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000675538276 1075195050 /nfs/dbraw/zinc/19/50/50/1075195050.db2.gz SGKMQEQPOHLCAE-INIZCTEOSA-N 0 3 411.524 1.356 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000675539137 1075195640 /nfs/dbraw/zinc/19/56/40/1075195640.db2.gz WXDKTKBLUQHAMX-JKSUJKDBSA-N 0 3 413.565 1.271 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000675538986 1075195902 /nfs/dbraw/zinc/19/59/02/1075195902.db2.gz QDGBNHWEKSGVTE-ICSRJNTNSA-N 0 3 421.563 1.599 20 0 HDADHN O=C(N[C@H](Cc1ccccc1)C(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccco1 ZINC000675538808 1075196278 /nfs/dbraw/zinc/19/62/78/1075196278.db2.gz OXNSIDJOBOKCKH-WOJBJXKFSA-N 0 3 411.502 1.990 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2cc(-c3cccc(F)c3)on2)CC1 ZINC000448095303 1075198650 /nfs/dbraw/zinc/19/86/50/1075198650.db2.gz VILHFSUYPPUAHD-UHFFFAOYSA-N 0 3 403.458 2.499 20 0 HDADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675602601 1075220380 /nfs/dbraw/zinc/22/03/80/1075220380.db2.gz HJOUMOLFCQUMSL-GOSISDBHSA-N 0 3 400.523 1.902 20 0 HDADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1 ZINC000490394324 1075231800 /nfs/dbraw/zinc/23/18/00/1075231800.db2.gz JXLCQIHHPGADDA-UHFFFAOYSA-N 0 3 418.929 1.608 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)Nc2nn(-c3ncccc3F)cc2C)CC1 ZINC000448336381 1075232491 /nfs/dbraw/zinc/23/24/91/1075232491.db2.gz CQHWBRYTFUXYPK-OAHLLOKOSA-N 0 3 403.506 2.110 20 0 HDADHN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)NCCN2CCC(OC)CC2)c1 ZINC000675699037 1075260484 /nfs/dbraw/zinc/26/04/84/1075260484.db2.gz PDIQZGAHPMGVIZ-OAHLLOKOSA-N 0 3 412.556 1.996 20 0 HDADHN C[C@H](CNC(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1)CN1CCN(C)CC1 ZINC000429374046 1075263249 /nfs/dbraw/zinc/26/32/49/1075263249.db2.gz UIUIFEPCARFQMB-SJORKVTESA-N 0 3 400.527 1.904 20 0 HDADHN C[C@@H](NC(=O)NC[C@H](C)CN1CCN(C)CC1)c1nc(Cc2ccccc2)no1 ZINC000429374043 1075263386 /nfs/dbraw/zinc/26/33/86/1075263386.db2.gz UIUIFEPCARFQMB-DLBZAZTESA-N 0 3 400.527 1.904 20 0 HDADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)cc1F ZINC000546800373 1075264285 /nfs/dbraw/zinc/26/42/85/1075264285.db2.gz AMVDXTSGWBMRLT-UHFFFAOYSA-N 0 3 409.549 1.844 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCCOc2ccc3c(c2)OCO3)CC1 ZINC000675777602 1075269776 /nfs/dbraw/zinc/26/97/76/1075269776.db2.gz ZNQBNXBKYKZVSE-KRWDZBQOSA-N 0 3 403.479 1.515 20 0 HDADHN C[C@H](CNC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)CN1CCN(C)CC1 ZINC000429381807 1075275188 /nfs/dbraw/zinc/27/51/88/1075275188.db2.gz BICJXCCFMJLYMO-CRAIPNDOSA-N 0 3 407.946 1.628 20 0 HDADHN COC1CCN(CCNC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000675823206 1075278245 /nfs/dbraw/zinc/27/82/45/1075278245.db2.gz UOQWAVYEFXENBM-UHFFFAOYSA-N 0 3 402.539 1.342 20 0 HDADHN COCCOCc1cccc(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000675859967 1075284545 /nfs/dbraw/zinc/28/45/45/1075284545.db2.gz IEMJMOZMRXVOCX-LJQANCHMSA-N 0 3 404.511 1.620 20 0 HDADHN CN(CCN1CCN(S(=O)(=O)c2cccc3c2OCO3)CC1)Cc1ccccc1 ZINC000509370891 1075290129 /nfs/dbraw/zinc/29/01/29/1075290129.db2.gz KNGZBVYZFCBTCH-UHFFFAOYSA-N 0 3 417.531 1.854 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2nc(N3CCCC3)ncc2Cl)CC1 ZINC000675918090 1075291516 /nfs/dbraw/zinc/29/15/16/1075291516.db2.gz OAPVZFXUCQZVJG-HNNXBMFYSA-N 0 3 406.918 1.109 20 0 HDADHN Cc1ccc(NCCCNC(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)nc1 ZINC000548444918 1075305427 /nfs/dbraw/zinc/30/54/27/1075305427.db2.gz AUFFYMUNWMGOPK-OAQYLSRUSA-N 0 3 410.566 2.480 20 0 HDADHN COC(=O)[C@H]1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)[C@H]1C(C)C ZINC000429391974 1075354106 /nfs/dbraw/zinc/35/41/06/1075354106.db2.gz CQORWHGBVYFKMG-KSSFIOAISA-N 0 3 405.451 1.625 20 0 HDADHN CC[C@H](NCC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)[C@@H]1CCCO1 ZINC000544456713 1075355034 /nfs/dbraw/zinc/35/50/34/1075355034.db2.gz ORPPXEHANNXZHZ-HOTGVXAUSA-N 0 3 423.558 1.723 20 0 HDADHN COc1cccc([C@H](CNC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)N(C)C)c1 ZINC000676090566 1075374848 /nfs/dbraw/zinc/37/48/48/1075374848.db2.gz ZIJZINVLLXKYMC-IBGZPJMESA-N 0 3 408.462 1.634 20 0 HDADHN O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000676131692 1075391096 /nfs/dbraw/zinc/39/10/96/1075391096.db2.gz UBFQYYWWJCTNAB-NQIIRXRSSA-N 0 3 408.502 1.977 20 0 HDADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000804093438 1075393464 /nfs/dbraw/zinc/39/34/64/1075393464.db2.gz NTPOAZHGEQSYIZ-GVDBMIGSSA-N 0 3 410.559 1.929 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000509390780 1075437009 /nfs/dbraw/zinc/43/70/09/1075437009.db2.gz BIPKLBFAZCJUFL-MRXNPFEDSA-N 0 3 406.527 1.960 20 0 HDADHN CCN1CCN(CCCCNC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000731687167 1075449876 /nfs/dbraw/zinc/44/98/76/1075449876.db2.gz GPOVUPRHKQURSU-UHFFFAOYSA-N 0 3 401.486 1.519 20 0 HDADHN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000676271065 1075473378 /nfs/dbraw/zinc/47/33/78/1075473378.db2.gz ZJXJPOVWBWELME-UHFFFAOYSA-N 0 3 403.527 1.498 20 0 HDADHN C[C@@H](NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)[C@H]1CN(C)CCO1 ZINC000676296247 1075499348 /nfs/dbraw/zinc/49/93/48/1075499348.db2.gz LRONQGJWLVLQOI-BXUZGUMPSA-N 0 3 423.315 1.753 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000543669889 1075510687 /nfs/dbraw/zinc/51/06/87/1075510687.db2.gz LMFKADVDVGZZRN-XUVXKRRUSA-N 0 3 418.513 1.994 20 0 HDADHN C[C@H]1Cc2cc(C(=O)NC3CCN([C@@H]4CCOC4)CC3)ccc2N1S(C)(=O)=O ZINC000676344208 1075516821 /nfs/dbraw/zinc/51/68/21/1075516821.db2.gz JILFIWWQYATPIN-KBXCAEBGSA-N 0 3 407.536 1.380 20 0 HDADHN CC(C)CNS(=O)(=O)c1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000676343516 1075517422 /nfs/dbraw/zinc/51/74/22/1075517422.db2.gz SFAKAFRZPBQSLZ-SFHVURJKSA-N 0 3 409.552 1.604 20 0 HDADHN CS(=O)(=O)Nc1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)ccc1Cl ZINC000676344603 1075518629 /nfs/dbraw/zinc/51/86/29/1075518629.db2.gz FVUIMISYSIPYNA-AWEZNQCLSA-N 0 3 401.916 1.695 20 0 HDADHN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NC3CCN([C@H]4CCOC4)CC3)cc12 ZINC000676345626 1075519602 /nfs/dbraw/zinc/51/96/02/1075519602.db2.gz VPLYNSWUKBUSSV-HIFRSBDPSA-N 0 3 419.551 1.431 20 0 HDADHN COc1cc(CN[C@H]2CC(=O)N3CCCC[C@H]23)ccc1OCC(=O)N1CCCC1 ZINC000509408814 1075528684 /nfs/dbraw/zinc/52/86/84/1075528684.db2.gz BMFWWSMUMWKZIB-ZWKOTPCHSA-N 0 3 401.507 1.939 20 0 HDADHN COCCOC(=O)c1sc2[nH]c(CN3CCC[C@@H](N(C)C)C3)nc(=O)c2c1C ZINC000731846349 1075530333 /nfs/dbraw/zinc/53/03/33/1075530333.db2.gz WVZIHIXHKSFUHJ-CYBMUJFWSA-N 0 3 408.524 1.622 20 0 HDADHN Cc1nccc(NCc2cccc(C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)c2)n1 ZINC000544558609 1075536532 /nfs/dbraw/zinc/53/65/32/1075536532.db2.gz SIDROGYSORIASE-HXUWFJFHSA-N 0 3 422.533 1.776 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000676393097 1075541172 /nfs/dbraw/zinc/54/11/72/1075541172.db2.gz LOVBUYQGUKAVOY-BHIYHBOVSA-N 0 3 421.538 1.338 20 0 HDADHN C[C@H]1CN(CCC2CCN(C(=O)NCC3(CS(C)(=O)=O)CC3)CC2)C[C@H](C)O1 ZINC000429437772 1075557803 /nfs/dbraw/zinc/55/78/03/1075557803.db2.gz ZPKKCXSYLYXNBB-IRXDYDNUSA-N 0 3 415.600 1.732 20 0 HDADHN C[C@@H](NC(=O)Nc1ccn(CCN2CCOCC2)n1)[C@H](c1ccccc1)N(C)C ZINC000562218269 1075589620 /nfs/dbraw/zinc/58/96/20/1075589620.db2.gz RMKAOVYHPLKPPN-YLJYHZDGSA-N 0 3 400.527 2.028 20 0 HDADHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC000429102927 1075600138 /nfs/dbraw/zinc/60/01/38/1075600138.db2.gz MFPRWYZNDCJQSX-GOEBONIOSA-N 0 3 422.489 2.334 20 0 HDADHN CN(CCCN1CCN(C)CC1)C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000732114114 1075628253 /nfs/dbraw/zinc/62/82/53/1075628253.db2.gz GDRWKFROHNLHCI-UHFFFAOYSA-N 0 3 421.343 1.739 20 0 HDADHN COc1cccc(CN(CCN(C)C)C(=O)Cc2c(C)nc3nc(N)nn3c2C)c1 ZINC000485505241 1075633102 /nfs/dbraw/zinc/63/31/02/1075633102.db2.gz LJMQJUODZIHZDE-UHFFFAOYSA-N 0 3 411.510 1.465 20 0 HDADHN CN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@@H]1CN2CCC1CC2 ZINC000732159546 1075641866 /nfs/dbraw/zinc/64/18/66/1075641866.db2.gz JHTDSLVVVCIFKX-GOSISDBHSA-N 0 3 416.547 1.400 20 0 HDADHN CC(C)(C)OC(=O)N1CCC[C@H]1CNCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000732232195 1075685104 /nfs/dbraw/zinc/68/51/04/1075685104.db2.gz FNKYLWCOXFDVKR-JKSUJKDBSA-N 0 3 405.561 1.464 20 0 HDADHN CCc1ccccc1Nc1nc(N)nc(CN2CC[C@H](N3CCN(CC)CC3)C2)n1 ZINC000471157992 1075685506 /nfs/dbraw/zinc/68/55/06/1075685506.db2.gz AVHLZTLPOYUVLJ-SFHVURJKSA-N 0 3 410.570 1.394 20 0 HDADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCCC3)CC2)c1 ZINC000028901013 1075689594 /nfs/dbraw/zinc/68/95/94/1075689594.db2.gz DCKIKLNMINQOTO-UHFFFAOYSA-N 0 3 407.536 1.598 20 0 HDADHN CCO[C@@H]1C[C@@H](NC(=O)NCCCCN2CCN(CCO)CC2)C12CCCCC2 ZINC000429464436 1075693086 /nfs/dbraw/zinc/69/30/86/1075693086.db2.gz VXUYCXIUPGQNCP-WOJBJXKFSA-N 0 3 410.603 1.804 20 0 HDADHN Cn1nc(NC(=O)C(=O)NCCCCN2CCN(c3ccccc3)CC2)cc1C1CC1 ZINC000581696913 1075728210 /nfs/dbraw/zinc/72/82/10/1075728210.db2.gz IGYHNLIGYWYBRU-UHFFFAOYSA-N 0 3 424.549 1.955 20 0 HDADHN COC(=O)c1ccc(OC[C@@H](O)CN2CCCC[C@@H]2CN2CCCC2=O)c(OC)c1 ZINC000732413436 1075739130 /nfs/dbraw/zinc/73/91/30/1075739130.db2.gz UWCOHUAESBNDDI-MSOLQXFVSA-N 0 3 420.506 1.698 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)N[C@H](c1nccn1C)c1ccccc1OC ZINC000732442020 1075744993 /nfs/dbraw/zinc/74/49/93/1075744993.db2.gz RCZZZUSLELGKQW-APWZRJJASA-N 0 3 401.511 1.928 20 0 HDADHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1)Cc1ccccc1 ZINC000468452982 1075749627 /nfs/dbraw/zinc/74/96/27/1075749627.db2.gz UGAYZTICARPKIN-FQEVSTJZSA-N 0 3 420.517 1.748 20 0 HDADHN CN(C)[C@H](CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C)c1cccc(C(F)(F)F)c1 ZINC000469555930 1075750039 /nfs/dbraw/zinc/75/00/39/1075750039.db2.gz GEQKMLYCCVNFIE-GFCCVEGCSA-N 0 3 410.400 2.106 20 0 HDADHN CN(C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000509269384 1075783233 /nfs/dbraw/zinc/78/32/33/1075783233.db2.gz SSQRJDVRELMHSO-GDBMZVCRSA-N 0 3 412.581 1.637 20 0 HDADHN O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)[C@@H]1CN2CCN1CCC2 ZINC000486824591 1075790361 /nfs/dbraw/zinc/79/03/61/1075790361.db2.gz GWCRBLSAKPLDCT-CVEARBPZSA-N 0 3 412.412 1.197 20 0 HDADHN C[C@@H]1CN(C[C@H](O)CN(CCO)Cc2cccc(Br)c2)C[C@@H](C)O1 ZINC000488195575 1075806484 /nfs/dbraw/zinc/80/64/84/1075806484.db2.gz FPFLMTHFBIHHRQ-IIDMSEBBSA-N 0 3 401.345 1.714 20 0 HDADHN COC(=O)c1c(C)cccc1S(=O)(=O)NC1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000611026887 1075813476 /nfs/dbraw/zinc/81/34/76/1075813476.db2.gz YMCCITZONLVTPQ-IRXDYDNUSA-N 0 3 410.536 1.828 20 0 HDADHN CCOC(=O)CC[C@H]1CCCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC000611036289 1075818416 /nfs/dbraw/zinc/81/84/16/1075818416.db2.gz JYEXORDXOCUMKQ-GOSISDBHSA-N 0 3 407.555 1.903 20 0 HDADHN Cc1cc(S(N)(=O)=O)cc(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c1C ZINC000611039178 1075818996 /nfs/dbraw/zinc/81/89/96/1075818996.db2.gz OCIZBLLYVYAPRX-QGZVFWFLSA-N 0 3 408.568 1.191 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cncc(I)c1 ZINC000611136919 1075857122 /nfs/dbraw/zinc/85/71/22/1075857122.db2.gz WRGXFJNCHRGZBH-AWEZNQCLSA-N 0 3 401.248 1.669 20 0 HDADHN C[C@@H](CNC(=O)c1csc(CNC(=O)OC(C)(C)C)n1)CN1CCN(C)CC1 ZINC000732838690 1075883238 /nfs/dbraw/zinc/88/32/38/1075883238.db2.gz JKWDWTBUCHLXPG-AWEZNQCLSA-N 0 3 411.572 1.781 20 0 HDADHN COC(=O)[C@@H](c1cc(OC)cc(OC)c1)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000611244169 1075884890 /nfs/dbraw/zinc/88/48/90/1075884890.db2.gz GFCXDASOYXCJNP-RBUKOAKNSA-N 0 3 405.495 1.332 20 0 HDADHN COC(=O)[C@@H](c1cc(OC)cc(OC)c1)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000611244170 1075884919 /nfs/dbraw/zinc/88/49/19/1075884919.db2.gz GFCXDASOYXCJNP-RTBURBONSA-N 0 3 405.495 1.332 20 0 HDADHN CCOC(=O)c1cnn2c1nccc2C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000611282545 1075891743 /nfs/dbraw/zinc/89/17/43/1075891743.db2.gz KAXQUGBVPOVUBE-AWEZNQCLSA-N 0 3 409.446 1.875 20 0 HDADHN COC(=O)C(C)(C)[C@H]1CCCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000611327234 1075907533 /nfs/dbraw/zinc/90/75/33/1075907533.db2.gz PWEZBEMTIBUSEM-IRXDYDNUSA-N 0 3 410.559 1.550 20 0 HDADHN CC(C)(C)OC(=O)N1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000733030178 1075946964 /nfs/dbraw/zinc/94/69/64/1075946964.db2.gz QHVCRJXEROOUOK-UHFFFAOYSA-N 0 3 418.542 1.458 20 0 HDADHN Cc1cc(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)ccc1N1C(=O)CCC1=O ZINC000733047717 1075953480 /nfs/dbraw/zinc/95/34/80/1075953480.db2.gz GMPYOHXDPINZBR-UHFFFAOYSA-N 0 3 414.506 1.968 20 0 HDADHN COc1ccc([C@@H](CNC(=O)Cc2c(C)nc3nc(N)nn3c2C)N2CCCC2)cc1 ZINC000017911772 1075955476 /nfs/dbraw/zinc/95/54/76/1075955476.db2.gz XJDUDJATFFOUCK-LJQANCHMSA-N 0 3 423.521 1.828 20 0 HDADHN CN1CCN(CCCNC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000733125575 1075978586 /nfs/dbraw/zinc/97/85/86/1075978586.db2.gz ZRTRBQQJDYVQLX-HEHNFIMWSA-N 0 3 407.518 1.606 20 0 HDADHN C[C@@H]1CN(Cc2ccc3c(c2)CCC(=O)N3C)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001080159864 1075983542 /nfs/dbraw/zinc/98/35/42/1075983542.db2.gz ZJYNAFGTDAYKHY-WKLFKRTGSA-N 0 3 409.530 1.956 20 0 HDADHN Cc1cc(Cn2nnc(C(=O)N3CCC(CN4C[C@@H](C)O[C@@H](C)C4)CC3)c2C)no1 ZINC000509138749 1075987008 /nfs/dbraw/zinc/98/70/08/1075987008.db2.gz MRWSGQWUDAFZBD-IYBDPMFKSA-N 0 3 416.526 1.893 20 0 HDADHN C[NH+](C)CCOC1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1 ZINC000733153948 1075988181 /nfs/dbraw/zinc/98/81/81/1075988181.db2.gz JLDHSISAMLYJAE-UHFFFAOYSA-N 0 3 413.515 1.449 20 0 HDADHN CNS(=O)(=O)CCCN1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493874305 1075992904 /nfs/dbraw/zinc/99/29/04/1075992904.db2.gz OCBYSHXTWGNFBU-LBPRGKRZSA-N 0 3 405.446 1.867 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000733159307 1075993179 /nfs/dbraw/zinc/99/31/79/1075993179.db2.gz OHXAFWXUOMHWOF-ODENVGOISA-N 0 3 421.545 1.995 20 0 HDADHN CCN1CCN(CCNC(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 ZINC000733161864 1075994299 /nfs/dbraw/zinc/99/42/99/1075994299.db2.gz KYSFESZJCVZOND-UHFFFAOYSA-N 0 3 418.357 1.220 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000733170031 1076000481 /nfs/dbraw/zinc/00/04/81/1076000481.db2.gz IZIMIRSEVODOQQ-CABCVRRESA-N 0 3 408.465 1.540 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000733170769 1076000698 /nfs/dbraw/zinc/00/06/98/1076000698.db2.gz RYBJYIPRDNTJRI-JEZWAEDTSA-N 0 3 408.568 1.461 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)CC1 ZINC000733170672 1076000912 /nfs/dbraw/zinc/00/09/12/1076000912.db2.gz PLNVOHYEINAOAK-LXXRFIIISA-N 0 3 414.554 1.709 20 0 HDADHN COC[C@@H]1CCCN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)C1 ZINC000733184909 1076011521 /nfs/dbraw/zinc/01/15/21/1076011521.db2.gz ZABMRXXMVCVTGD-KNQAVFIVSA-N 0 3 400.523 1.889 20 0 HDADHN CS(=O)(=O)NCCNC(=S)Nc1ccc(CCN2CCSCC2)cc1 ZINC000727083234 1076040768 /nfs/dbraw/zinc/04/07/68/1076040768.db2.gz ZTKWAUYKOXPCJX-UHFFFAOYSA-N 0 3 402.611 1.114 20 0 HDADHN CNC(=O)C1CCN(CC(=O)N2CCN(Cc3cccc4ccccc43)CC2)CC1 ZINC000053847002 1076059944 /nfs/dbraw/zinc/05/99/44/1076059944.db2.gz QKIFYKAXLPYTGA-UHFFFAOYSA-N 0 3 408.546 1.942 20 0 HDADHN COC(=O)CCCc1nc(COC(=O)C2CCN(c3ccc(F)c(F)c3)C2=O)no1 ZINC000733462621 1076081413 /nfs/dbraw/zinc/08/14/13/1076081413.db2.gz AKCIPFKJCOZNMA-GFCCVEGCSA-N 0 3 423.372 1.940 20 0 HDADHN O=C(OCCCN1C(=O)CNC1=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000733464015 1076081739 /nfs/dbraw/zinc/08/17/39/1076081739.db2.gz SJIYWNYJRUTXMN-NSHDSACASA-N 0 3 414.245 1.831 20 0 HDADHN COC(=O)CCc1nc(COC(=O)C2CCN(c3ccc(F)c(F)c3)C2=O)no1 ZINC000733463607 1076081774 /nfs/dbraw/zinc/08/17/74/1076081774.db2.gz MVHXUDTVUGHUHP-LLVKDONJSA-N 0 3 409.345 1.550 20 0 HDADHN NC(=O)C1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)cc2)CC1 ZINC000727231324 1076086294 /nfs/dbraw/zinc/08/62/94/1076086294.db2.gz IMCQNOHJLWZZDB-LJQANCHMSA-N 0 3 413.522 1.024 20 0 HDADHN O=C(Nc1ccc(-n2nccn2)cc1C(F)(F)F)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000727232265 1076087099 /nfs/dbraw/zinc/08/70/99/1076087099.db2.gz ZQGXGQQBQROKCG-CQSZACIVSA-N 0 3 422.411 1.921 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc2)CC1 ZINC000733668604 1076149126 /nfs/dbraw/zinc/14/91/26/1076149126.db2.gz JPBXXRMGBQHZKO-JKSUJKDBSA-N 0 3 424.567 1.047 20 0 HDADHN CNC(=O)c1cccc(CN2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1 ZINC000733795264 1076215315 /nfs/dbraw/zinc/21/53/15/1076215315.db2.gz WFRNYACZTVPIIL-GOSISDBHSA-N 0 3 418.538 1.899 20 0 HDADHN O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727753121 1076226417 /nfs/dbraw/zinc/22/64/17/1076226417.db2.gz LOUBSABFURINDY-RHSMWYFYSA-N 0 3 406.533 1.731 20 0 HDADHN O=C(CN[C@]1(CO)CCCN(Cc2ccccc2)C1)NC(=O)NCc1ccco1 ZINC000733897703 1076258238 /nfs/dbraw/zinc/25/82/38/1076258238.db2.gz NQJDLIZAPDWDPM-OAQYLSRUSA-N 0 3 400.479 1.222 20 0 HDADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2ccc(OC3CCCC3)cc2)C1 ZINC000728060966 1076314682 /nfs/dbraw/zinc/31/46/82/1076314682.db2.gz XQFWWSDTVSMCPZ-INIZCTEOSA-N 0 3 409.552 1.874 20 0 HDADHN COC(=O)C1=C(CN2CCN(CC(C)(C)O)CC2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000728055629 1076322713 /nfs/dbraw/zinc/32/27/13/1076322713.db2.gz XBBXKENNKBCESV-IBGZPJMESA-N 0 3 416.522 1.198 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000728072213 1076333037 /nfs/dbraw/zinc/33/30/37/1076333037.db2.gz ABXBAZWFVZJNHZ-INIZCTEOSA-N 0 3 419.526 1.973 20 0 HDADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000728141537 1076341822 /nfs/dbraw/zinc/34/18/22/1076341822.db2.gz FRDJXAJSGRUVAO-QGZVFWFLSA-N 0 3 422.501 1.170 20 0 HDADHN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000730218266 1076480440 /nfs/dbraw/zinc/48/04/40/1076480440.db2.gz HGHLERYSZOQZFM-IRXDYDNUSA-N 0 3 408.543 1.717 20 0 HDADHN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000730218264 1076480576 /nfs/dbraw/zinc/48/05/76/1076480576.db2.gz HGHLERYSZOQZFM-IAGOWNOFSA-N 0 3 408.543 1.717 20 0 HDADHN C[C@@H](NC(=O)OC(C)(C)C)C1CCN([C@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000730266572 1076508027 /nfs/dbraw/zinc/50/80/27/1076508027.db2.gz YJHFUKDBVPLEBX-HUUCEWRRSA-N 0 3 410.559 1.724 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000730283317 1076512793 /nfs/dbraw/zinc/51/27/93/1076512793.db2.gz WEAXMAKDHLMOSO-SFHVURJKSA-N 0 3 416.522 1.251 20 0 HDADHN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000730277667 1076519678 /nfs/dbraw/zinc/51/96/78/1076519678.db2.gz UZJCIYYLMHWCIW-MRXNPFEDSA-N 0 3 401.511 1.134 20 0 HDADHN CC(C)[C@@H](C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)N(C)C ZINC000730279679 1076520732 /nfs/dbraw/zinc/52/07/32/1076520732.db2.gz QGQLTQWDQUNLOO-MSOLQXFVSA-N 0 3 424.586 1.891 20 0 HDADHN Cc1cccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CN4CCC[C@H]4CO3)C2=O)c1 ZINC000730774134 1076650251 /nfs/dbraw/zinc/65/02/51/1076650251.db2.gz VBAGBIMTXILYSV-OKZBNKHCSA-N 0 3 400.479 1.179 20 0 HDADHN CN(C[C@H]1CCCOC1)CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000730803539 1076655230 /nfs/dbraw/zinc/65/52/30/1076655230.db2.gz JZHKACOUPXXKNM-KNQAVFIVSA-N 0 3 400.523 1.889 20 0 HDADHN COCCN1CC[C@H](NC(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)C1 ZINC000730842387 1076671051 /nfs/dbraw/zinc/67/10/51/1076671051.db2.gz YOLFLIJNFPGZLU-HNNXBMFYSA-N 0 3 405.524 1.469 20 0 HDADHN O=C(Nc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000730918027 1076691391 /nfs/dbraw/zinc/69/13/91/1076691391.db2.gz BMYHUHKOFHUHSI-QGZVFWFLSA-N 0 3 404.486 1.688 20 0 HDADHN COCCOC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000731134353 1076737110 /nfs/dbraw/zinc/73/71/10/1076737110.db2.gz IOSQJASKEAUDGM-QGZVFWFLSA-N 0 3 404.467 1.421 20 0 HDADHN Cc1c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)nnn1-c1ccc(OC(F)F)cc1 ZINC000731188700 1076742069 /nfs/dbraw/zinc/74/20/69/1076742069.db2.gz JFJSCEHKNXKMKE-ZBFHGGJFSA-N 0 3 407.421 1.770 20 0 HDADHN Cc1ccccc1C[C@@H](CO)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000466890708 1126093441 /nfs/dbraw/zinc/09/34/41/1126093441.db2.gz DLNCMTADAYJWAY-FQEVSTJZSA-N 0 3 404.532 1.709 20 0 HDADHN O=C(c1cccnc1N1CC[C@H]2NCCO[C@@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164390043 718823516 /nfs/dbraw/zinc/82/35/16/718823516.db2.gz LGYPANUCVBMCDK-FGZHOGPDSA-N 0 3 421.545 1.607 20 0 HDADHN O=C1NCCN(C(F)(F)Oc2ccc3nc(Cl)c(Cl)nc3c2)C12CNC2 ZINC001164412309 718878409 /nfs/dbraw/zinc/87/84/09/718878409.db2.gz VPHGVFFIBXEABR-UHFFFAOYSA-N 0 3 404.204 1.640 20 0 HDADHN Cc1sc2nc(CN3CCCCC3)nc(N3CCNC(=O)C34CNC4)c2c1C ZINC001164411041 718878761 /nfs/dbraw/zinc/87/87/61/718878761.db2.gz LRPVLTXGMQIUJI-UHFFFAOYSA-N 0 3 400.552 1.572 20 0 HDADHN CCOC(=O)c1cnc(N2CCC3(CCCN3CC(=O)NC)CC2)cc1OCC ZINC001164686791 719717888 /nfs/dbraw/zinc/71/78/88/719717888.db2.gz SRTQRVJJOGWFBO-UHFFFAOYSA-N 0 3 404.511 1.838 20 0 HDADHN CNC(=O)CN1CCCC12CCN(c1ccc(S(=O)(=O)N3CCCC3)cn1)CC2 ZINC001164690314 719740137 /nfs/dbraw/zinc/74/01/37/719740137.db2.gz ZNTAFDKVBKAUPA-UHFFFAOYSA-N 0 3 421.567 1.047 20 0 HDADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)nc3c(Cl)ncnc31)CC2 ZINC001164690031 719750173 /nfs/dbraw/zinc/75/01/73/719750173.db2.gz PYHWMCZZYFNOBH-UHFFFAOYSA-N 0 3 410.309 1.907 20 0 HDADHN COC[C@H]1CN(CC2CC2)C[C@]12CCN(c1cc(Cl)nc(S(C)(=O)=O)n1)C2 ZINC001164815378 720067897 /nfs/dbraw/zinc/06/78/97/720067897.db2.gz YWKBDKJPCXRBPU-KDOFPFPSSA-N 0 3 414.959 1.718 20 0 HDADHN O=C(c1nn(-c2nc(Cl)ccc2CN2CCCC2)c2c1CNC2)N1CCOCC1 ZINC001164815104 720247865 /nfs/dbraw/zinc/24/78/65/720247865.db2.gz AIPULWIMTUQTPB-UHFFFAOYSA-N 0 3 416.913 1.592 20 0 HDADHN COC(=O)c1ccc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)ncc2c1 ZINC001164738723 720637982 /nfs/dbraw/zinc/63/79/82/720637982.db2.gz DEWPYJMRZDNWAM-IRXDYDNUSA-N 0 3 406.446 1.548 20 0 HDADHN COc1cc2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2cc1OC ZINC001164743644 720645109 /nfs/dbraw/zinc/64/51/09/720645109.db2.gz PXEWSKUNXAWTQI-CABCVRRESA-N 0 3 408.462 1.779 20 0 HDADHN COc1cc2ncc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2cc1OC ZINC001164736963 720687779 /nfs/dbraw/zinc/68/77/79/720687779.db2.gz COMOHMKEFGERSJ-HUUCEWRRSA-N 0 3 408.462 1.779 20 0 HDADHN CCOC(=O)c1ccc2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164736664 720696684 /nfs/dbraw/zinc/69/66/84/720696684.db2.gz AHNHTPDVGVVWDA-IAGOWNOFSA-N 0 3 420.473 1.938 20 0 HDADHN NC(=O)c1cc(F)c(Cl)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867794 721065959 /nfs/dbraw/zinc/06/59/59/721065959.db2.gz KLRXDRHIOBFZEF-KGLIPLIRSA-N 0 3 405.861 1.848 20 0 HDADHN COC(=O)Cc1c(Cl)ncnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866864 721072628 /nfs/dbraw/zinc/07/26/28/721072628.db2.gz GJOSQVVIAXXTFC-HZPDHXFCSA-N 0 3 417.897 1.720 20 0 HDADHN COC(OC)c1c(CO)ccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865930 721120398 /nfs/dbraw/zinc/12/03/98/721120398.db2.gz QAABBVWNWWAEEP-MOPGFXCFSA-N 0 3 414.506 1.740 20 0 HDADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c4CN(C)CC5)C[C@@H]3C2)cn1 ZINC001164767227 721237373 /nfs/dbraw/zinc/23/73/73/721237373.db2.gz WKKPCAHCSCDROS-CVEARBPZSA-N 0 3 401.946 1.810 20 0 HDADHN O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2c1ccc(CN2CCCC2)cn1)c1ccnnc1 ZINC001164880776 721323945 /nfs/dbraw/zinc/32/39/45/721323945.db2.gz ZCAZBFRAXFNXKA-VCOUNFBDSA-N 0 3 422.533 1.881 20 0 HDADHN Cn1cc(C(=O)N[C@@H]2CN(c3ccc(CN4CCCC4)cn3)[C@@H]3CCCO[C@H]23)cn1 ZINC001165014354 721757901 /nfs/dbraw/zinc/75/79/01/721757901.db2.gz YVAGAXDIJABWRO-SFHLNBCPSA-N 0 3 410.522 1.577 20 0 HDADHN O=C([C@@H]1C[C@@]2(CO1)CCCN(c1ccc(CN3CCCC3)cn1)C2)N1CCOCC1 ZINC001165023709 721777291 /nfs/dbraw/zinc/77/72/91/721777291.db2.gz TZEPZEQZQIKTJU-REWPJTCUSA-N 0 3 414.550 1.912 20 0 HDADHN Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4ncccc4CN4CCCC4)CC[C@H]23)cn1 ZINC001164958728 722032017 /nfs/dbraw/zinc/03/20/17/722032017.db2.gz PQJIWFTYCDCCBE-ACRUOGEOSA-N 0 3 424.549 1.682 20 0 HDADHN CN(Cc1ccc(N2C[C@H](NC(=O)c3nccn3C)[C@@H]3OCCC[C@@H]32)nc1)C1CC1 ZINC001164973623 722093547 /nfs/dbraw/zinc/09/35/47/722093547.db2.gz BHDQDHCRPDHIFP-BJLQDIEVSA-N 0 3 410.522 1.576 20 0 HDADHN NC(=O)c1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncc1Cl ZINC001164983415 722102837 /nfs/dbraw/zinc/10/28/37/722102837.db2.gz QAKOZIZJNWPUOO-MAUKXSAKSA-N 0 3 401.898 1.956 20 0 HDADHN COC(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1OC ZINC001164975497 722103680 /nfs/dbraw/zinc/10/36/80/722103680.db2.gz CAOQNIBOGFQGNZ-HKUYNNGSSA-N 0 3 412.490 1.999 20 0 HDADHN COC(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1OC ZINC001164975499 722103863 /nfs/dbraw/zinc/10/38/63/722103863.db2.gz CAOQNIBOGFQGNZ-MJGOQNOKSA-N 0 3 412.490 1.999 20 0 HDADHN CNS(=O)(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164973293 722139469 /nfs/dbraw/zinc/13/94/69/722139469.db2.gz BRQSZPVQUBXYGW-HKUYNNGSSA-N 0 3 417.535 1.112 20 0 HDADHN NC(=O)c1ccnc(Cl)c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972209 722153086 /nfs/dbraw/zinc/15/30/86/722153086.db2.gz GXOHXJZHALETCA-NVXWUHKLSA-N 0 3 401.898 1.956 20 0 HDADHN Cc1nc(CN2CCO[C@@H]3CCN(c4ncc5c(n4)CCNC5)CC[C@@H]32)cs1 ZINC001164988452 722177637 /nfs/dbraw/zinc/17/76/37/722177637.db2.gz RIDYHXNRTXZHRF-RBUKOAKNSA-N 0 3 400.552 1.757 20 0 HDADHN COc1cccc([C@@H](CNC(=O)CCn2nc3ccccn3c2=O)N2CCCC2)c1 ZINC000509112779 1073562778 /nfs/dbraw/zinc/56/27/78/1073562778.db2.gz RHIBBJGWIUOPCX-LJQANCHMSA-N 0 3 409.490 1.848 20 0 HDADHN COCCCN(C(=O)c1[nH]ncc1I)C1CCN(C)CC1 ZINC001117681956 1073632208 /nfs/dbraw/zinc/63/22/08/1073632208.db2.gz RQZXVXIHIWAXMW-UHFFFAOYSA-N 0 3 406.268 1.587 20 0 HDADHN C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000673713583 1073652753 /nfs/dbraw/zinc/65/27/53/1073652753.db2.gz DZQPQDDOUPSJIP-QFBILLFUSA-N 0 3 416.547 1.867 20 0 HDADHN Cc1n[nH]c(C(F)(F)F)c1C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000673740121 1073662130 /nfs/dbraw/zinc/66/21/30/1073662130.db2.gz RXNIHXYKMKIJDG-UHFFFAOYSA-N 0 3 401.433 1.753 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000673757441 1073692346 /nfs/dbraw/zinc/69/23/46/1073692346.db2.gz QFELFDYOUALJCL-FQEVSTJZSA-N 0 3 402.583 1.810 20 0 HDADHN CCS(=O)(=O)N(C)CCCNC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000673770073 1073714282 /nfs/dbraw/zinc/71/42/82/1073714282.db2.gz HIOGYCHRAGUCPZ-GOSISDBHSA-N 0 3 410.584 1.964 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000673779139 1073735597 /nfs/dbraw/zinc/73/55/97/1073735597.db2.gz XLYAGEVHMCNUPK-FXAWDEMLSA-N 0 3 410.522 1.831 20 0 HDADHN COCCN(C(=O)CN(C1CCC1)C1CCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000429134832 1073743740 /nfs/dbraw/zinc/74/37/40/1073743740.db2.gz LLXCEIYEHUGPCS-UHFFFAOYSA-N 0 3 421.542 1.574 20 0 HDADHN CC(C)NS(=O)(=O)NCCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000429151155 1073789592 /nfs/dbraw/zinc/78/95/92/1073789592.db2.gz QKDOWQHGRYXVQS-QGZVFWFLSA-N 0 3 411.572 1.125 20 0 HDADHN CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)N[C@H](CC(N)=O)C2CCOCC2)cc1 ZINC000543490809 1073800169 /nfs/dbraw/zinc/80/01/69/1073800169.db2.gz SPMOCHGNFFLWHQ-KBXCAEBGSA-N 0 3 405.495 1.839 20 0 HDADHN CC[C@@H](NCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)[C@H]1CCCO1 ZINC000543494951 1073831049 /nfs/dbraw/zinc/83/10/49/1073831049.db2.gz SLSLPNURWLYUSB-IEBWSBKVSA-N 0 3 409.552 1.763 20 0 HDADHN CC(C)OCCN1CCC(NC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000673879578 1073850585 /nfs/dbraw/zinc/85/05/85/1073850585.db2.gz ABSMDRRDXZRHLB-YJBOKZPZSA-N 0 3 406.531 1.103 20 0 HDADHN O=C(NCc1ccccc1CN1CCC(O)CC1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000673938765 1073912237 /nfs/dbraw/zinc/91/22/37/1073912237.db2.gz AUQVCAKGOGCZOP-FQEVSTJZSA-N 0 3 422.529 1.703 20 0 HDADHN CNC(=O)N[C@H]1CCN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000466568444 1073958643 /nfs/dbraw/zinc/95/86/43/1073958643.db2.gz YAASYWCJPDBTBH-SFHVURJKSA-N 0 3 402.543 1.302 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)N3CC[C@H](NC(=O)NC)C3)cc2)CC1 ZINC000466584919 1074016884 /nfs/dbraw/zinc/01/68/84/1074016884.db2.gz LTDJBTZCZMECLR-IBGZPJMESA-N 0 3 402.543 1.037 20 0 HDADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000543535333 1074035701 /nfs/dbraw/zinc/03/57/01/1074035701.db2.gz XGLSIYOXFNDSOD-LSDHHAIUSA-N 0 3 422.551 1.184 20 0 HDADHN COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000543535289 1074042398 /nfs/dbraw/zinc/04/23/98/1074042398.db2.gz UZNOWSUCOYNMMD-HNNXBMFYSA-N 0 3 402.495 1.151 20 0 HDADHN O=S1(=O)C[C@H](NCCCc2ccc(C(F)(F)F)cc2)[C@H](N2CCOCC2)C1 ZINC000674006667 1074054557 /nfs/dbraw/zinc/05/45/57/1074054557.db2.gz YGYLOQLFNJZYKN-DLBZAZTESA-N 0 3 406.470 1.725 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)CC1 ZINC000674013275 1074064071 /nfs/dbraw/zinc/06/40/71/1074064071.db2.gz CQVJAVBPVGRPKL-SFHVURJKSA-N 0 3 408.506 1.903 20 0 HDADHN CCc1ccc([C@@H](CNC(=O)NCCNS(=O)(=O)Cc2ccon2)N(C)C)cc1 ZINC000429199424 1074068314 /nfs/dbraw/zinc/06/83/14/1074068314.db2.gz BPVHSICRLOMOPD-GOSISDBHSA-N 0 3 423.539 1.259 20 0 HDADHN CN(C)C1(CNC(=O)C(=O)Nc2ncn(C3CCCCC3)n2)Cc2ccccc2C1 ZINC000543556090 1074091926 /nfs/dbraw/zinc/09/19/26/1074091926.db2.gz GHIZEIFWNCWZHJ-UHFFFAOYSA-N 0 3 410.522 1.937 20 0 HDADHN Nc1ccccc1S(=O)(=O)NCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000670457535 1074099976 /nfs/dbraw/zinc/09/99/76/1074099976.db2.gz JACOYMLUQFUELZ-QGZVFWFLSA-N 0 3 402.520 1.328 20 0 HDADHN O=C(Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000674056644 1074157845 /nfs/dbraw/zinc/15/78/45/1074157845.db2.gz NRBWHGFOBZDISP-JKSUJKDBSA-N 0 3 405.524 1.598 20 0 HDADHN CC(C)(CNC(=O)CNS(=O)(=O)c1ccccc1N)N1CCc2ccccc2C1 ZINC000670465669 1074183866 /nfs/dbraw/zinc/18/38/66/1074183866.db2.gz CGAYRKIRYRJDIU-UHFFFAOYSA-N 0 3 416.547 1.500 20 0 HDADHN O=C(Nc1cnc(C2CC2)nc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000674217744 1074229921 /nfs/dbraw/zinc/22/99/21/1074229921.db2.gz HEOQPSSEGRVVEW-IEBWSBKVSA-N 0 3 409.490 1.292 20 0 HDADHN COC1CCN(CCNC(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC000674326063 1074274699 /nfs/dbraw/zinc/27/46/99/1074274699.db2.gz YDNHXBMBTXKRHZ-SFHVURJKSA-N 0 3 409.600 1.447 20 0 HDADHN COC1CCN(CCNC(=O)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000674329619 1074275215 /nfs/dbraw/zinc/27/52/15/1074275215.db2.gz HGPIVJUCQBRDSF-RXVVDRJESA-N 0 3 404.555 1.686 20 0 HDADHN COc1ccc(NC(=O)CN[C@@H]2Cc3cccc(O)c3C2)cc1S(=O)(=O)N(C)C ZINC000429231207 1074403481 /nfs/dbraw/zinc/40/34/81/1074403481.db2.gz NVNSASUDKZYYQF-OAHLLOKOSA-N 0 3 419.503 1.347 20 0 HDADHN CCN1C(=O)[C@H]2CN(C(=O)[C@H](C)N3CCC(Cc4ccccc4)CC3)CCN2C1=O ZINC000674543604 1074425379 /nfs/dbraw/zinc/42/53/79/1074425379.db2.gz ARUVBAMFDGYIDA-FXAWDEMLSA-N 0 3 412.534 1.825 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1=O ZINC000674617486 1074487075 /nfs/dbraw/zinc/48/70/75/1074487075.db2.gz ZBPFZYUEVGSWMT-SXGZJXTBSA-N 0 3 419.551 1.905 20 0 HDADHN CN(C)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000674637989 1074497544 /nfs/dbraw/zinc/49/75/44/1074497544.db2.gz BJZDGISXYMQUIQ-LIRRHRJNSA-N 0 3 407.540 1.542 20 0 HDADHN CN(C)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000674640345 1074499673 /nfs/dbraw/zinc/49/96/73/1074499673.db2.gz DYSOJCVVFPNKMF-LAUBAEHRSA-N 0 3 401.511 1.480 20 0 HDADHN CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CCN(CC3CCCCC3)CC2)C1=O ZINC000674643989 1074502552 /nfs/dbraw/zinc/50/25/52/1074502552.db2.gz PRMKSXMEEWWILY-LAUBAEHRSA-N 0 3 405.543 1.614 20 0 HDADHN C[C@H](C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000674668982 1074519761 /nfs/dbraw/zinc/51/97/61/1074519761.db2.gz IGIGGPNUVQDDHR-MAUKXSAKSA-N 0 3 409.552 1.253 20 0 HDADHN C[C@@H](C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674670572 1074520326 /nfs/dbraw/zinc/52/03/26/1074520326.db2.gz XEZSUMYWMGJFRH-KDOFPFPSSA-N 0 3 407.536 1.134 20 0 HDADHN COc1ccc(CN2CCCN(C(=O)CN3CCC(OCCCO)CC3)CC2)cc1 ZINC000674914227 1074612923 /nfs/dbraw/zinc/61/29/23/1074612923.db2.gz UBZNQWLOHPUBBF-UHFFFAOYSA-N 0 3 419.566 1.593 20 0 HDADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCO[C@@H]([C@H]3CCCO3)C2)CC1 ZINC000674914095 1074613055 /nfs/dbraw/zinc/61/30/55/1074613055.db2.gz XUWAZRMFWJGJLW-FGZHOGPDSA-N 0 3 401.551 1.909 20 0 HDADHN CN1CCN(Cc2ccc(CNC(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000674917481 1074614139 /nfs/dbraw/zinc/61/41/39/1074614139.db2.gz KTKPFSOCSRRZBC-LEWJYISDSA-N 0 3 402.539 1.523 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CC1 ZINC000674917053 1074627262 /nfs/dbraw/zinc/62/72/62/1074627262.db2.gz IFZXDYSZHUAYRN-YADHBBJMSA-N 0 3 416.566 1.914 20 0 HDADHN Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)nn1-c1ccc(F)cc1F ZINC000577097681 1074724195 /nfs/dbraw/zinc/72/41/95/1074724195.db2.gz LHJRNFNBHFFHHD-MRXNPFEDSA-N 0 3 417.460 2.484 20 0 HDADHN Cc1c(C(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)nnn1-c1cccc2c1CCN(C)C2 ZINC000675134253 1074727663 /nfs/dbraw/zinc/72/76/63/1074727663.db2.gz DYTXDFINRSKKDB-ROUUACIJSA-N 0 3 410.522 1.728 20 0 HDADHN C[C@@H]1C[C@@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)CN1Cc1ccccc1 ZINC000675147313 1074744382 /nfs/dbraw/zinc/74/43/82/1074744382.db2.gz RARIGLAKRFWASQ-NVXWUHKLSA-N 0 3 403.504 1.492 20 0 HDADHN CN(CCCN1CCCC1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000543619338 1074772251 /nfs/dbraw/zinc/77/22/51/1074772251.db2.gz MMQAVPDNOCERTE-UHFFFAOYSA-N 0 3 415.581 1.578 20 0 HDADHN CN1CCN(CCCCNC(=O)Nc2ccc(F)cc2CS(C)(=O)=O)CC1 ZINC000675372964 1075091589 /nfs/dbraw/zinc/09/15/89/1075091589.db2.gz YSKSGDHRJOCDCT-UHFFFAOYSA-N 0 3 400.520 1.519 20 0 HDADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)CC1 ZINC000675396995 1075125633 /nfs/dbraw/zinc/12/56/33/1075125633.db2.gz MNOYSMNBPLZELE-SFHVURJKSA-N 0 3 412.538 1.575 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC1 ZINC000509248075 1075147910 /nfs/dbraw/zinc/14/79/10/1075147910.db2.gz RRWXKYSXAZJBKK-UHFFFAOYSA-N 0 3 415.538 1.941 20 0 HDADHN O=C(NCCn1c(=O)[nH]c2ccccc21)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000429348399 1075160038 /nfs/dbraw/zinc/16/00/38/1075160038.db2.gz JSSMICQWHFHXCV-MOPGFXCFSA-N 0 3 423.517 1.924 20 0 HDADHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c2ccccc2O1 ZINC000675469628 1075165070 /nfs/dbraw/zinc/16/50/70/1075165070.db2.gz OLUBGFSJUNGUQQ-ZDUSSCGKSA-N 0 3 403.460 1.649 20 0 HDADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1 ZINC000553880470 1075166258 /nfs/dbraw/zinc/16/62/58/1075166258.db2.gz LKMRWSARRRXNGF-UHFFFAOYSA-N 0 3 401.511 1.773 20 0 HDADHN COCCN1CCC(NC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1 ZINC000490398510 1075170805 /nfs/dbraw/zinc/17/08/05/1075170805.db2.gz SUCGORQDKMVZGE-UHFFFAOYSA-N 0 3 405.886 1.691 20 0 HDADHN C[C@@H](NCCC(=O)OC(C)(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766146634 1075174326 /nfs/dbraw/zinc/17/43/26/1075174326.db2.gz ZFTDXMKLHJQNKR-CYBMUJFWSA-N 0 3 420.553 1.795 20 0 HDADHN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000675511389 1075189404 /nfs/dbraw/zinc/18/94/04/1075189404.db2.gz GDVIMAPPBRBMLY-ZFWWWQNUSA-N 0 3 422.507 1.314 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c2ccccc2O1 ZINC000675511906 1075191160 /nfs/dbraw/zinc/19/11/60/1075191160.db2.gz ZBUXWYVSYPMKMI-OPAMFIHVSA-N 0 3 408.458 1.711 20 0 HDADHN O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000437502924 1075193104 /nfs/dbraw/zinc/19/31/04/1075193104.db2.gz WOADVHDFTQUGNV-IBGZPJMESA-N 0 3 410.522 1.936 20 0 HDADHN CC(C)C[C@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000675537449 1075193869 /nfs/dbraw/zinc/19/38/69/1075193869.db2.gz AEHBMUNCQGDVHR-YSTOQKLRSA-N 0 3 417.550 1.722 20 0 HDADHN CS(=O)(=O)N1CC(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000429356737 1075195233 /nfs/dbraw/zinc/19/52/33/1075195233.db2.gz UTWNCHPNQLEHKO-UHFFFAOYSA-N 0 3 412.581 1.291 20 0 HDADHN CS(=O)(=O)N1CCCc2cc(C(=O)NC3CCN([C@@H]4CCOC4)CC3)ccc21 ZINC000675537575 1075195260 /nfs/dbraw/zinc/19/52/60/1075195260.db2.gz GSKYXCQGQQZUSV-GOSISDBHSA-N 0 3 407.536 1.382 20 0 HDADHN COc1ccc(CN2C[C@H](C(=O)NC3CCN([C@H]4CCOC4)CC3)CC2=O)cc1 ZINC000675538707 1075195866 /nfs/dbraw/zinc/19/58/66/1075195866.db2.gz MCACZQRSVDMKGM-MJGOQNOKSA-N 0 3 401.507 1.413 20 0 HDADHN COC[C@@H](C)n1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)n1 ZINC000437253209 1075218857 /nfs/dbraw/zinc/21/88/57/1075218857.db2.gz SPZSZZYPQWAFMX-OAHLLOKOSA-N 0 3 405.474 1.759 20 0 HDADHN O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000531377163 1075232847 /nfs/dbraw/zinc/23/28/47/1075232847.db2.gz QIGQIBULEJXEET-INIZCTEOSA-N 0 3 402.886 1.615 20 0 HDADHN CCN1CCN(c2cccc(NC(=O)C(=O)Nc3ccn(CCCOC)n3)c2)CC1 ZINC000555306923 1075235049 /nfs/dbraw/zinc/23/50/49/1075235049.db2.gz IIAZSNVEIWJCMK-UHFFFAOYSA-N 0 3 414.510 1.639 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000675898911 1075288097 /nfs/dbraw/zinc/28/80/97/1075288097.db2.gz RYEQBHJQXRYSMD-KDOFPFPSSA-N 0 3 416.349 1.972 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)CC1 ZINC000675996472 1075319780 /nfs/dbraw/zinc/31/97/80/1075319780.db2.gz FSPSIXZCUZPTND-PMACEKPBSA-N 0 3 410.522 1.572 20 0 HDADHN Cn1ccnc1C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1 ZINC000675996168 1075320104 /nfs/dbraw/zinc/32/01/04/1075320104.db2.gz GRKQKMVLJZVGKW-PMACEKPBSA-N 0 3 424.549 1.652 20 0 HDADHN COc1ccc2c(c1)OCC[C@H]2NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000675996753 1075320224 /nfs/dbraw/zinc/32/02/24/1075320224.db2.gz VBBZWBAMXMGPHV-MSOLQXFVSA-N 0 3 402.495 1.467 20 0 HDADHN COc1ccc2c(c1)OCC[C@@H]2NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000675996757 1075320688 /nfs/dbraw/zinc/32/06/88/1075320688.db2.gz VBBZWBAMXMGPHV-ZWKOTPCHSA-N 0 3 402.495 1.467 20 0 HDADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3nc4ncc(C)cn4n3)CC2)cc1 ZINC001129158807 1075323420 /nfs/dbraw/zinc/32/34/20/1075323420.db2.gz SSQLRRTYQIWJBB-UHFFFAOYSA-N 0 3 407.478 1.786 20 0 HDADHN Cc1ccc([C@@H](CNC(=O)Nc2ccn(CCN3CCOCC3)n2)N(C)C)cc1 ZINC000605429575 1075330967 /nfs/dbraw/zinc/33/09/67/1075330967.db2.gz XCPXCFIJWSWGNJ-LJQANCHMSA-N 0 3 400.527 1.948 20 0 HDADHN O=C(NCCOc1cccnc1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000804076933 1075335921 /nfs/dbraw/zinc/33/59/21/1075335921.db2.gz NKFIFCHEUPSRSQ-UHFFFAOYSA-N 0 3 406.552 1.445 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccccc2COC2CCOCC2)CC1 ZINC000676044601 1075339321 /nfs/dbraw/zinc/33/93/21/1075339321.db2.gz DHWJQAVWUNHRBI-OAQYLSRUSA-N 0 3 415.534 1.937 20 0 HDADHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)C1 ZINC000731467323 1075357778 /nfs/dbraw/zinc/35/77/78/1075357778.db2.gz YZBDAGZGAJXUMT-QGZVFWFLSA-N 0 3 406.494 1.255 20 0 HDADHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)CSc2nnnn2CC(F)(F)F)C1 ZINC000731469780 1075358502 /nfs/dbraw/zinc/35/85/02/1075358502.db2.gz XGSCEJZYYYJAIS-GFCCVEGCSA-N 0 3 400.430 1.847 20 0 HDADHN CCN1C(=S)N=NC1CNC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000731475222 1075360391 /nfs/dbraw/zinc/36/03/91/1075360391.db2.gz OEXWQOIPVPKACV-UHFFFAOYSA-N 0 3 412.523 1.394 20 0 HDADHN Cc1c(C(=O)NCCCNc2ncccn2)nnn1-c1cccc2c1CCN(C)C2 ZINC000731474703 1075360705 /nfs/dbraw/zinc/36/07/05/1075360705.db2.gz WLYKVGBHQFTYON-UHFFFAOYSA-N 0 3 406.494 1.586 20 0 HDADHN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CN1Cc1ccccc1 ZINC000676099071 1075365774 /nfs/dbraw/zinc/36/57/74/1075365774.db2.gz BQFBNACBWMZXLW-FUHWJXTLSA-N 0 3 404.474 1.985 20 0 HDADHN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000556435734 1075421273 /nfs/dbraw/zinc/42/12/73/1075421273.db2.gz RINMOQGGVPGZND-CQSZACIVSA-N 0 3 414.485 1.986 20 0 HDADHN Cc1ccc(N2CCC[C@H](NCc3cnn([C@@]4(C)CCS(=O)(=O)C4)c3)C2)nn1 ZINC000676200190 1075434546 /nfs/dbraw/zinc/43/45/46/1075434546.db2.gz YUKKXLNKMWTDBS-HKUYNNGSSA-N 0 3 404.540 1.274 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)N[C@@H](C)[C@@H]3CN(C)CCO3)cc2)CC1 ZINC000676243100 1075444944 /nfs/dbraw/zinc/44/49/44/1075444944.db2.gz IKHMWYKDJSYDNX-RXVVDRJESA-N 0 3 403.571 1.342 20 0 HDADHN C[C@H](NC(=O)NCCCCN1CCN(c2ccccc2)CC1)[C@H]1CN(C)CCO1 ZINC000676243385 1075445918 /nfs/dbraw/zinc/44/59/18/1075445918.db2.gz LQNQVIXIXMUXOF-PZJWPPBQSA-N 0 3 403.571 1.607 20 0 HDADHN Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000544159607 1075448310 /nfs/dbraw/zinc/44/83/10/1075448310.db2.gz RNVMLLAIGRBELD-INIZCTEOSA-N 0 3 404.559 1.635 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC(n2cc(Br)cn2)CC1 ZINC000731684193 1075467516 /nfs/dbraw/zinc/46/75/16/1075467516.db2.gz RGPAVGQMHSRPLJ-HZPDHXFCSA-N 0 3 412.332 1.855 20 0 HDADHN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H](C)[C@H]3CN(C)CCO3)c2C1 ZINC000676280579 1075486106 /nfs/dbraw/zinc/48/61/06/1075486106.db2.gz JQEFMFREUBUMAX-TWOQFEAHSA-N 0 3 402.539 1.821 20 0 HDADHN COc1ccc(CNCCN2CCN(S(C)(=O)=O)CC2)c(Br)c1 ZINC000671708325 1075509777 /nfs/dbraw/zinc/50/97/77/1075509777.db2.gz RZTFGVZUGYCSBJ-UHFFFAOYSA-N 0 3 406.346 1.125 20 0 HDADHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000676341366 1075514365 /nfs/dbraw/zinc/51/43/65/1075514365.db2.gz PKDQOWXEAJDHQV-SFHVURJKSA-N 0 3 409.552 1.341 20 0 HDADHN CCNS(=O)(=O)CCNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000731760107 1075514596 /nfs/dbraw/zinc/51/45/96/1075514596.db2.gz VOTFBVJDLKUXBN-UHFFFAOYSA-N 0 3 424.489 1.718 20 0 HDADHN COCCOc1cn(-c2ccccc2)nc1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000676343286 1075516763 /nfs/dbraw/zinc/51/67/63/1075516763.db2.gz OCQGAUCGBLGEBC-IBGZPJMESA-N 0 3 414.506 1.881 20 0 HDADHN C[C@@H]1Cc2cc(C(=O)NC3CCN([C@@H]4CCOC4)CC3)ccc2N1S(C)(=O)=O ZINC000676344211 1075516797 /nfs/dbraw/zinc/51/67/97/1075516797.db2.gz JILFIWWQYATPIN-RDTXWAMCSA-N 0 3 407.536 1.380 20 0 HDADHN O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676344758 1075518396 /nfs/dbraw/zinc/51/83/96/1075518396.db2.gz HXSNXFIKPVBWOK-QGZVFWFLSA-N 0 3 413.515 1.254 20 0 HDADHN CCc1ccc([C@@H](CNC(=O)Nc2ccn(CCN3CCOCC3)n2)N(C)C)cc1 ZINC000438321412 1075523345 /nfs/dbraw/zinc/52/33/45/1075523345.db2.gz MCEWVDQAIQFMFD-HXUWFJFHSA-N 0 3 414.554 2.202 20 0 HDADHN COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N2CCC[C@H](N(C)C)C2)c1 ZINC000731851152 1075533806 /nfs/dbraw/zinc/53/38/06/1075533806.db2.gz JHQXUVOJBUPVFX-CDNLZTBQSA-N 0 3 412.508 1.605 20 0 HDADHN CN(C(=O)CCc1nc(-c2nc[n-]n2)no1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000676403741 1075544580 /nfs/dbraw/zinc/54/45/80/1075544580.db2.gz OOHZPBDKZHGRAV-UHFFFAOYSA-N 0 3 411.466 1.925 20 0 HDADHN O=C(CCN1CCC[C@@H]1[C@@H](O)C(F)(F)F)NN1C(=O)NC2(CCCCC2)C1=O ZINC000731842899 1075548142 /nfs/dbraw/zinc/54/81/42/1075548142.db2.gz JYXNYMQWCJNYLH-DGCLKSJQSA-N 0 3 406.405 1.050 20 0 HDADHN Cc1ccc(S(=O)(=O)n2ccc(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)c2)cc1 ZINC000731878067 1075550046 /nfs/dbraw/zinc/55/00/46/1075550046.db2.gz FIZZWVRQTSQNTP-QZTJIDSGSA-N 0 3 403.504 1.627 20 0 HDADHN Cc1nnc(NC(=O)N2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)s1 ZINC000437579135 1075555260 /nfs/dbraw/zinc/55/52/60/1075555260.db2.gz KUGGARNLFOOCEQ-UHFFFAOYSA-N 0 3 416.551 2.339 20 0 HDADHN CS(=O)(=O)N1CCC(NCc2ccc(F)cc2I)CC1 ZINC001649126188 1075560980 /nfs/dbraw/zinc/56/09/80/1075560980.db2.gz HVUGEYHDSBHBDC-UHFFFAOYSA-N 0 3 412.268 1.944 20 0 HDADHN C[C@@H](CNC(=S)NCc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1 ZINC000731942127 1075572252 /nfs/dbraw/zinc/57/22/52/1075572252.db2.gz IEOVBWNTGMWVEJ-HNNXBMFYSA-N 0 3 406.577 1.819 20 0 HDADHN C[C@@H](CNC(=O)NCCCNc1ccc(C(F)(F)F)cn1)CN1CCN(C)CC1 ZINC000465536304 1075573738 /nfs/dbraw/zinc/57/37/38/1075573738.db2.gz BFHJFTSUIRUACD-HNNXBMFYSA-N 0 3 416.492 2.085 20 0 HDADHN COC(=O)c1ccsc1N1CC[C@@H](N2CCC(CN3CCOCC3)CC2)C1=O ZINC000466736258 1075606905 /nfs/dbraw/zinc/60/69/05/1075606905.db2.gz QTEBODWBPFEJOP-QGZVFWFLSA-N 0 3 407.536 1.684 20 0 HDADHN CCN1CCCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC000732095284 1075610414 /nfs/dbraw/zinc/61/04/14/1075610414.db2.gz CIODQNUVLUNCCR-UHFFFAOYSA-N 0 3 404.536 1.402 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1 ZINC000676615541 1075616914 /nfs/dbraw/zinc/61/69/14/1075616914.db2.gz SJHNFHHLUQILTP-ZDUSSCGKSA-N 0 3 408.453 1.512 20 0 HDADHN CN(C)c1nc(N)nc(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)n1 ZINC000561258172 1075622190 /nfs/dbraw/zinc/62/21/90/1075622190.db2.gz AAQALQKFFNYZHT-UHFFFAOYSA-N 0 3 419.917 1.446 20 0 HDADHN CCN1CCN(c2ccc(C(=O)N3CCN(c4nc(N)ns4)CC3)cc2)CC1 ZINC000467873205 1075627955 /nfs/dbraw/zinc/62/79/55/1075627955.db2.gz GQTBNMWUKODULJ-UHFFFAOYSA-N 0 3 401.540 1.225 20 0 HDADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)Nc2ccccc2-n2cncn2)CC1 ZINC000676659382 1075641061 /nfs/dbraw/zinc/64/10/61/1075641061.db2.gz OJXQDAYFTDIAJL-MRXNPFEDSA-N 0 3 419.489 1.943 20 0 HDADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)Nc2ccccc2-n2cncn2)CC1 ZINC000676659381 1075641122 /nfs/dbraw/zinc/64/11/22/1075641122.db2.gz OJXQDAYFTDIAJL-INIZCTEOSA-N 0 3 419.489 1.943 20 0 HDADHN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)[C@@H]3CN4CCC3CC4)C2=O)cc1 ZINC000732159524 1075641766 /nfs/dbraw/zinc/64/17/66/1075641766.db2.gz HYWCMOIHZQJXCV-UTKZUKDTSA-N 0 3 400.479 1.015 20 0 HDADHN CN(C(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)[C@H]1CCN(C2CC2)C1 ZINC000732165456 1075643780 /nfs/dbraw/zinc/64/37/80/1075643780.db2.gz GNLZNRXYAOLSLL-XZXCKGAHSA-N 0 3 410.518 1.485 20 0 HDADHN CS(=O)(=O)N1CCN(c2ccc(NC(=O)[C@@H]3CCCN3C3CCCC3)cn2)CC1 ZINC000676699025 1075650873 /nfs/dbraw/zinc/65/08/73/1075650873.db2.gz ZDZUGTUHTASSGC-SFHVURJKSA-N 0 3 421.567 1.509 20 0 HDADHN CC(C)(CO)N1CCN(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC000676702296 1075652158 /nfs/dbraw/zinc/65/21/58/1075652158.db2.gz UMJUDHBVYUHLBP-FQEVSTJZSA-N 0 3 423.001 1.982 20 0 HDADHN CCCN1CCC(NS(=O)(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CC1 ZINC000509430882 1075660119 /nfs/dbraw/zinc/66/01/19/1075660119.db2.gz NJDCMXPYLGXADN-UHFFFAOYSA-N 0 3 417.597 1.870 20 0 HDADHN O=C(COc1ccccc1CNCCc1nnnn1-c1ccccc1)N1CCCC1 ZINC000509432409 1075666464 /nfs/dbraw/zinc/66/64/64/1075666464.db2.gz YQUDGODOIMRTTF-UHFFFAOYSA-N 0 3 406.490 1.996 20 0 HDADHN C[C@@H]1[C@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)CCN1Cc1ccccc1 ZINC000568549692 1075707037 /nfs/dbraw/zinc/70/70/37/1075707037.db2.gz KSTCDKLQJFSNDW-GDBMZVCRSA-N 0 3 401.540 1.615 20 0 HDADHN C[C@@H](OC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000732339646 1075709882 /nfs/dbraw/zinc/70/98/82/1075709882.db2.gz QSDLLHDPUVHMTN-PBHICJAKSA-N 0 3 421.453 1.506 20 0 HDADHN CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000544202598 1075721373 /nfs/dbraw/zinc/72/13/73/1075721373.db2.gz WUJYPDKPRFRPJG-UHFFFAOYSA-N 0 3 400.527 1.995 20 0 HDADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000543263686 1075722310 /nfs/dbraw/zinc/72/23/10/1075722310.db2.gz ZDZVHBBRNSBGES-UHFFFAOYSA-N 0 3 408.453 1.840 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3ccc(=O)n(CC)n3)cc2)CC1 ZINC000732370034 1075726495 /nfs/dbraw/zinc/72/64/95/1075726495.db2.gz DJYFITZAVDTVAC-UHFFFAOYSA-N 0 3 413.478 1.201 20 0 HDADHN CN1CCN(CCCCNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000732418190 1075733021 /nfs/dbraw/zinc/73/30/21/1075733021.db2.gz RHSNAOXYPRIOIJ-UHFFFAOYSA-N 0 3 404.483 1.832 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000732465374 1075752987 /nfs/dbraw/zinc/75/29/87/1075752987.db2.gz DKKZCIXFKHGJMR-INIZCTEOSA-N 0 3 412.556 1.996 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000732467839 1075755300 /nfs/dbraw/zinc/75/53/00/1075755300.db2.gz YUURVYZRHDDLRP-PCCBWWKXSA-N 0 3 402.539 1.092 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cc(-c3cccc(F)c3)on2)CC1 ZINC000448094373 1075789726 /nfs/dbraw/zinc/78/97/26/1075789726.db2.gz NITAZMQUUKIJQQ-MRXNPFEDSA-N 0 3 401.442 2.251 20 0 HDADHN CN(C)[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)c1ccccc1 ZINC000016599915 1075790806 /nfs/dbraw/zinc/79/08/06/1075790806.db2.gz JUPNZBBSHNJZOP-LJQANCHMSA-N 0 3 420.535 1.079 20 0 HDADHN CN1CCN(CCCNc2ncnc3ccc(I)cc32)CC1 ZINC000461466216 1075791778 /nfs/dbraw/zinc/79/17/78/1075791778.db2.gz YIQITPXLXDNDLH-UHFFFAOYSA-N 0 3 411.291 2.284 20 0 HDADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(-c4ccc(Br)cc4)n3)[C@H]2C1 ZINC000645615633 1075800434 /nfs/dbraw/zinc/80/04/34/1075800434.db2.gz RAXNKOXUOGIYTC-DOMZBBRYSA-N 0 3 418.295 1.736 20 0 HDADHN C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ncccc3F)n2)CCN(C2CCC2)C1 ZINC000645675209 1075803599 /nfs/dbraw/zinc/80/35/99/1075803599.db2.gz SYBRTULEGOCQGA-CQSZACIVSA-N 0 3 400.458 1.678 20 0 HDADHN CNC(=O)Cn1nc(NC(=O)N(CCCc2ccccc2)CCN(C)C)cc1C ZINC000504622304 1075819094 /nfs/dbraw/zinc/81/90/94/1075819094.db2.gz SAXWPGGQXGWRPE-UHFFFAOYSA-N 0 3 400.527 1.966 20 0 HDADHN CCOC(=O)CC[C@@H]1CCCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000611065824 1075823433 /nfs/dbraw/zinc/82/34/33/1075823433.db2.gz HESZLVUMARBVER-ZWKOTPCHSA-N 0 3 410.559 1.694 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCc2ccc(-n3cccn3)cc2)CC1 ZINC000509280471 1075824533 /nfs/dbraw/zinc/82/45/33/1075824533.db2.gz XPWUZLKBIKBWHP-UHFFFAOYSA-N 0 3 412.538 1.610 20 0 HDADHN O=C(CSCC(=O)N1CCOCC1)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000611197647 1075871359 /nfs/dbraw/zinc/87/13/59/1075871359.db2.gz VHZUIPQPBRZYLT-UHFFFAOYSA-N 0 3 407.536 1.174 20 0 HDADHN CC(C)[C@@H]1CN(C(=O)c2cccc(C(=O)N3CCN(C)[C@@H](C(C)C)C3)n2)CCN1C ZINC000489367046 1075882712 /nfs/dbraw/zinc/88/27/12/1075882712.db2.gz KHRKLWHVNSFYGP-OYRHEFFESA-N 0 3 415.582 1.906 20 0 HDADHN CC1CCN([C@@H](CNC(=O)N(CCO)CCN2CCOCC2)c2ccccc2)CC1 ZINC000489678239 1075925948 /nfs/dbraw/zinc/92/59/48/1075925948.db2.gz LZWZDNORIRJQIC-QFIPXVFZSA-N 0 3 418.582 1.796 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000733159305 1075993196 /nfs/dbraw/zinc/99/31/96/1075993196.db2.gz OHXAFWXUOMHWOF-NDWLXSOOSA-N 0 3 421.545 1.995 20 0 HDADHN O=C1CNC(=O)N1CCCN1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493875612 1075993295 /nfs/dbraw/zinc/99/32/95/1075993295.db2.gz QYMZJIAYIRBMSV-LBPRGKRZSA-N 0 3 410.400 1.869 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)CC1 ZINC000733161968 1075994633 /nfs/dbraw/zinc/99/46/33/1075994633.db2.gz OEMKZWLXIANQTJ-CCNLRRDASA-N 0 3 401.490 1.261 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)CC1 ZINC000733161912 1075994646 /nfs/dbraw/zinc/99/46/46/1075994646.db2.gz MUWIAVJCRVSHTF-MWWKQMNYSA-N 0 3 400.527 1.461 20 0 HDADHN CCN1CCN(CCNC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC1 ZINC000733162865 1075995393 /nfs/dbraw/zinc/99/53/93/1075995393.db2.gz VCBXBKDBUXJVAO-UHFFFAOYSA-N 0 3 421.592 1.682 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)CC1 ZINC000733170020 1076000113 /nfs/dbraw/zinc/00/01/13/1076000113.db2.gz IRFPEHZTEPKQOJ-INIZCTEOSA-N 0 3 412.556 1.068 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)CCc2c(C)[nH]c3nn(C)c(=O)c-3c2C)CC1 ZINC000733170522 1076001077 /nfs/dbraw/zinc/00/10/77/1076001077.db2.gz OAVWGQZKJSJYBQ-HNNXBMFYSA-N 0 3 416.570 1.201 20 0 HDADHN COC(=O)NCCCC(=O)OCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000733542846 1076091581 /nfs/dbraw/zinc/09/15/81/1076091581.db2.gz MMVSPFLSYZGDQG-UHFFFAOYSA-N 0 3 405.495 1.709 20 0 HDADHN O=C(CC[C@H]1NC(=O)NC1=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000727395901 1076112236 /nfs/dbraw/zinc/11/22/36/1076112236.db2.gz DMHYJNPWNKYSAG-QGZVFWFLSA-N 0 3 415.494 1.818 20 0 HDADHN COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1 ZINC000733665477 1076145335 /nfs/dbraw/zinc/14/53/35/1076145335.db2.gz QBZUHKNZEFLTQN-HNNXBMFYSA-N 0 3 411.524 1.036 20 0 HDADHN COC(=O)Nc1cc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)ccc1F ZINC000727617034 1076176690 /nfs/dbraw/zinc/17/66/90/1076176690.db2.gz GTGXNMIHDWDNDO-CQSZACIVSA-N 0 3 410.446 1.512 20 0 HDADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000727618295 1076195670 /nfs/dbraw/zinc/19/56/70/1076195670.db2.gz QFAVVTNTJVIMPT-UHFFFAOYSA-N 0 3 421.498 1.594 20 0 HDADHN O=C(NCCCN1CCc2ccccc2C1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727754937 1076229292 /nfs/dbraw/zinc/22/92/92/1076229292.db2.gz KQGSROYHHNYLOQ-IBGZPJMESA-N 0 3 400.504 1.281 20 0 HDADHN CCN(CC)[C@H](CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1ccsc1 ZINC000727756162 1076230182 /nfs/dbraw/zinc/23/01/82/1076230182.db2.gz RAPFPWNGISHYFN-WBVHZDCISA-N 0 3 408.549 1.977 20 0 HDADHN Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000733882210 1076238574 /nfs/dbraw/zinc/23/85/74/1076238574.db2.gz FKDFKJTXUZPKPD-INIZCTEOSA-N 0 3 402.568 1.542 20 0 HDADHN CC(C)N1CCCN(C(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 ZINC000727805984 1076259249 /nfs/dbraw/zinc/25/92/49/1076259249.db2.gz HIUSJOXIAUHWSC-ZBWUASRJSA-N 0 3 412.534 1.732 20 0 HDADHN O=C(OCc1ccccc1)N1CC(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000733900611 1076260311 /nfs/dbraw/zinc/26/03/11/1076260311.db2.gz WZHGYTWINGYXAM-SFHVURJKSA-N 0 3 407.536 1.897 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCOc3cccnc3)c(C)c2)CC1 ZINC000734075647 1076303159 /nfs/dbraw/zinc/30/31/59/1076303159.db2.gz NSZOJVIJSROKCQ-UHFFFAOYSA-N 0 3 411.506 1.666 20 0 HDADHN C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCC[C@H](C2OCCO2)C1 ZINC000728053053 1076321395 /nfs/dbraw/zinc/32/13/95/1076321395.db2.gz GKRIDEQAWHWFSK-NQIIRXRSSA-N 0 3 417.550 1.608 20 0 HDADHN CCOC(=O)C1=C(CN2CCN(CC(C)(C)O)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000728054545 1076321930 /nfs/dbraw/zinc/32/19/30/1076321930.db2.gz IOUJDVQUPDULEN-LJQANCHMSA-N 0 3 416.522 1.246 20 0 HDADHN CCOC(=O)C1C(CN2CCN(CC(C)(C)O)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000728054545 1076321943 /nfs/dbraw/zinc/32/19/43/1076321943.db2.gz IOUJDVQUPDULEN-LJQANCHMSA-N 0 3 416.522 1.246 20 0 HDADHN COc1ccc(CN2CCCN(C(=O)CN3CCC[C@H](C4OCCO4)C3)CC2)cc1 ZINC000728054120 1076322266 /nfs/dbraw/zinc/32/22/66/1076322266.db2.gz VMNMTWVOBPBPKX-FQEVSTJZSA-N 0 3 417.550 1.814 20 0 HDADHN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000728070177 1076332335 /nfs/dbraw/zinc/33/23/35/1076332335.db2.gz FIDSRZPNHOAPSD-DBPMXWMLSA-N 0 3 408.568 1.185 20 0 HDADHN Cc1cc(=O)oc2cc(OCC(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)ccc12 ZINC000728072824 1076332593 /nfs/dbraw/zinc/33/25/93/1076332593.db2.gz JQDLGWOVWJJLSH-GOSISDBHSA-N 0 3 415.490 1.539 20 0 HDADHN CC(C)(C)N1CCCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000728142044 1076342089 /nfs/dbraw/zinc/34/20/89/1076342089.db2.gz JHXUZWYWUIEVMK-UHFFFAOYSA-N 0 3 406.502 1.934 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN3CCCC[C@H]3C3OCCO3)cc2)CC1 ZINC000728174814 1076364902 /nfs/dbraw/zinc/36/49/02/1076364902.db2.gz XDAHQPHTBYAYFF-FQEVSTJZSA-N 0 3 402.539 1.994 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000730217913 1076479674 /nfs/dbraw/zinc/47/96/74/1076479674.db2.gz ZMCQMOVVTQORDW-QAPCUYQASA-N 0 3 404.486 1.238 20 0 HDADHN CN1CCN(CCCCNC(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000730273732 1076517220 /nfs/dbraw/zinc/51/72/20/1076517220.db2.gz WBIKSKQJRYXSPD-GOSISDBHSA-N 0 3 411.591 1.960 20 0 HDADHN CCNS(=O)(=O)c1ccc(F)c(C(=O)N(CCN(C)C)Cc2ccccn2)c1 ZINC000730547820 1076599065 /nfs/dbraw/zinc/59/90/65/1076599065.db2.gz IGACJORXVGJWIF-UHFFFAOYSA-N 0 3 408.499 1.723 20 0 HDADHN COCCc1noc(COC(=O)C2CCN(c3ccc4c(c3)OCCO4)C2=O)n1 ZINC000730622786 1076613965 /nfs/dbraw/zinc/61/39/65/1076613965.db2.gz SVPFCWVVCOLQDY-CYBMUJFWSA-N 0 3 403.391 1.126 20 0 HDADHN Cc1nc(-c2ccccc2NC(=O)C(=O)N(CCN(C)C)Cc2ccccn2)no1 ZINC000730681473 1076637326 /nfs/dbraw/zinc/63/73/26/1076637326.db2.gz JEYNMTZEJMZPJO-UHFFFAOYSA-N 0 3 408.462 1.969 20 0 HDADHN CC(=O)Nc1cc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccn2)c(F)cc1F ZINC000730681013 1076637761 /nfs/dbraw/zinc/63/77/61/1076637761.db2.gz CLNNOBRPIQYQFQ-UHFFFAOYSA-N 0 3 419.432 1.847 20 0 HDADHN COC(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)cc1 ZINC000730916260 1076690185 /nfs/dbraw/zinc/69/01/85/1076690185.db2.gz YNMMSGBRICTURW-UHFFFAOYSA-N 0 3 406.483 1.809 20 0 HDADHN O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000730919298 1076692258 /nfs/dbraw/zinc/69/22/58/1076692258.db2.gz INVVVRUKZOKIOO-SFHVURJKSA-N 0 3 412.490 1.755 20 0 HDADHN NS(=O)(=O)c1ccc(CCN2CCC(NC(=O)NC3CCCCC3)CC2)cc1 ZINC000730938393 1076698105 /nfs/dbraw/zinc/69/81/05/1076698105.db2.gz ZXFWURPONWFICJ-UHFFFAOYSA-N 0 3 408.568 1.973 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000731007695 1076708812 /nfs/dbraw/zinc/70/88/12/1076708812.db2.gz BYLWNQAODSDYBQ-UHFFFAOYSA-N 0 3 423.507 1.371 20 0 HDADHN COC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000731038177 1076716183 /nfs/dbraw/zinc/71/61/83/1076716183.db2.gz CDUBHEMPTUZXMI-LLVKDONJSA-N 0 3 405.314 1.856 20 0 HDADHN O=C(c1cccnc1N1CC[C@H]2NCCO[C@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164390045 718823647 /nfs/dbraw/zinc/82/36/47/718823647.db2.gz LGYPANUCVBMCDK-YADHBBJMSA-N 0 3 421.545 1.607 20 0 HDADHN O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1CC[C@H]2NCCO[C@@H]2C1 ZINC001164390073 718824004 /nfs/dbraw/zinc/82/40/04/718824004.db2.gz LSDYMAHGSXSPLU-MUKKUYKPSA-N 0 3 424.908 1.560 20 0 HDADHN CN(C)Cc1ccnc(N2CC[C@@H]3C[C@H](C(=O)NCCc4ccccn4)O[C@H]3C2)c1 ZINC001164701511 719820216 /nfs/dbraw/zinc/82/02/16/719820216.db2.gz PMQLAUNLSCJLBJ-NRSPTQNISA-N 0 3 409.534 1.881 20 0 HDADHN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(Cl)nc2nc(C)[nH]c21 ZINC001164706753 719848488 /nfs/dbraw/zinc/84/84/88/719848488.db2.gz YJSHULWCSVCAOK-SGTLLEGYSA-N 0 3 408.890 1.547 20 0 HDADHN CN(Cc1ccc(N2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@H]3C2)nc1)C1CC1 ZINC001164701607 719884733 /nfs/dbraw/zinc/88/47/33/719884733.db2.gz NWDXAYNQCKYEKP-NZSAHSFTSA-N 0 3 408.506 1.803 20 0 HDADHN COC(=O)c1ccc2cnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2c1 ZINC001164744978 720635643 /nfs/dbraw/zinc/63/56/43/720635643.db2.gz SUKWNPRGQMBZFZ-SJORKVTESA-N 0 3 406.446 1.548 20 0 HDADHN CCOC(=O)c1cc2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2[nH]1 ZINC001164737580 720675744 /nfs/dbraw/zinc/67/57/44/720675744.db2.gz GJSIPIMGDBNSNK-HZPDHXFCSA-N 0 3 408.462 1.872 20 0 HDADHN COc1cc2ncc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2cc1OC ZINC001164736961 720687964 /nfs/dbraw/zinc/68/79/64/720687964.db2.gz COMOHMKEFGERSJ-GJZGRUSLSA-N 0 3 408.462 1.779 20 0 HDADHN COC(=O)c1cc2c(OC)[nH]c(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)cc-2n1 ZINC001164742660 720690079 /nfs/dbraw/zinc/69/00/79/720690079.db2.gz WGUCZAYGHJJQKY-KGLIPLIRSA-N 0 3 424.461 1.490 20 0 HDADHN CON(C)C(=O)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164737599 720705776 /nfs/dbraw/zinc/70/57/76/720705776.db2.gz GNDVMCGPMIGJMX-GJZGRUSLSA-N 0 3 418.885 1.500 20 0 HDADHN CN(Cc1ccc(N2CC[C@@H]3CO[C@H](CNC(=O)c4ccno4)[C@H]3C2)nc1)C1CC1 ZINC001164859088 720912853 /nfs/dbraw/zinc/91/28/53/720912853.db2.gz OOYWBYPZMOEEQJ-IMFGXOCKSA-N 0 3 411.506 1.935 20 0 HDADHN CNC(=O)c1nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1Cl ZINC001164863390 721107162 /nfs/dbraw/zinc/10/71/62/721107162.db2.gz CFKFHKCGFFMXMR-CVEARBPZSA-N 0 3 401.898 1.969 20 0 HDADHN CON(C)C(=O)c1cc(C)cnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164872770 721123513 /nfs/dbraw/zinc/12/35/13/721123513.db2.gz IHCONHBMTZAPIA-RTBURBONSA-N 0 3 411.506 1.898 20 0 HDADHN COC(=O)c1nc2cnccc2c(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164773930 721153787 /nfs/dbraw/zinc/15/37/87/721153787.db2.gz ZIDWQZQZYPCESR-CVEARBPZSA-N 0 3 407.478 1.503 20 0 HDADHN CNC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867826 721188476 /nfs/dbraw/zinc/18/84/76/721188476.db2.gz IIXLULNQAFGNMF-GJZGRUSLSA-N 0 3 402.886 1.364 20 0 HDADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(Cn5ccccc5=O)cn4)C[C@@H]3C2)cn1 ZINC001164773317 721207216 /nfs/dbraw/zinc/20/72/16/721207216.db2.gz WEMAMKSMRPBBGP-SFTDATJTSA-N 0 3 404.518 1.983 20 0 HDADHN CNC(=O)[C@]12CN(c3ncccc3CN3CCCC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001164869284 721208679 /nfs/dbraw/zinc/20/86/79/721208679.db2.gz QADQDHFKBFIADZ-AUSIDOKSSA-N 0 3 421.549 1.689 20 0 HDADHN Cc1cc(N2CCCC2)nc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)n1 ZINC001164874253 721261657 /nfs/dbraw/zinc/26/16/57/721261657.db2.gz JZMIUZRXXQSMHI-UHFFFAOYSA-N 0 3 416.570 1.392 20 0 HDADHN O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ccc(CN2CCCC2)cn1)c1ccnnc1 ZINC001164880774 721323696 /nfs/dbraw/zinc/32/36/96/721323696.db2.gz ZCAZBFRAXFNXKA-DWLFOUALSA-N 0 3 422.533 1.881 20 0 HDADHN O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ncccc1CN1CCCC1)c1ccnnc1 ZINC001164878584 721324218 /nfs/dbraw/zinc/32/42/18/721324218.db2.gz PBROPXDMVIUKOY-IOMROCGXSA-N 0 3 422.533 1.881 20 0 HDADHN O=C(COC[C@@]12COC[C@@H]1CN(c1ncccc1CN1CCCC1)C2)N1CCCC1 ZINC001164886367 721338790 /nfs/dbraw/zinc/33/87/90/721338790.db2.gz RRBXGOZANVRZAJ-NZQKXSOJSA-N 0 3 414.550 1.769 20 0 HDADHN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncnc4c3CCNC4)C2)C1 ZINC001164778664 721340284 /nfs/dbraw/zinc/34/02/84/721340284.db2.gz NPZVTJXCXVTJEB-JOCHJYFZSA-N 0 3 412.538 1.846 20 0 HDADHN CCOC(=O)Cc1ccnc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c1 ZINC001164885392 721451737 /nfs/dbraw/zinc/45/17/37/721451737.db2.gz DNKUBAVJEOOXTO-NFBKMPQASA-N 0 3 416.566 1.953 20 0 HDADHN CN1CCN(Cc2cn3c(n2)CN(c2cc(Cl)nc4c2CCNC4)CC3)CC1 ZINC001164797316 721517780 /nfs/dbraw/zinc/51/77/80/721517780.db2.gz JYZAAVVQHHOMTF-UHFFFAOYSA-N 0 3 401.946 1.345 20 0 HDADHN COC(=O)c1c[n-]c2nc[nH+]c(N3CCCC34CCN(CC(=O)N(C)C)CC4)c12 ZINC001165009584 721740226 /nfs/dbraw/zinc/74/02/26/721740226.db2.gz GIIVMHRVUMFLHF-UHFFFAOYSA-N 0 3 400.483 1.268 20 0 HDADHN CN(Cc1ccc(N2C[C@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@@H]32)nc1)C1CC1 ZINC001165013407 721757887 /nfs/dbraw/zinc/75/78/87/721757887.db2.gz LNGGBBDVLQXKND-IRFCIJBXSA-N 0 3 410.522 1.576 20 0 HDADHN CC(C)C(=O)N1CCO[C@]2(C1)COCCN(c1ncccc1CN1CCCC1)C2 ZINC001165016221 721788462 /nfs/dbraw/zinc/78/84/62/721788462.db2.gz CWUIQFQOZBWKRU-JOCHJYFZSA-N 0 3 402.539 1.768 20 0 HDADHN CN(Cc1ccc(N2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)nc1)C1CC1 ZINC001164956598 722045685 /nfs/dbraw/zinc/04/56/85/722045685.db2.gz BKYQUSPFPZVZGN-IBGZPJMESA-N 0 3 414.550 1.910 20 0 HDADHN c1cncc(CN2CCO[C@@H]3CN(c4cc(N5CCOCC5)ncn4)CC[C@H]3C2)c1 ZINC001164982803 722102966 /nfs/dbraw/zinc/10/29/66/722102966.db2.gz PDBYXZDMJJFLCC-VQTJNVASSA-N 0 3 410.522 1.436 20 0 HDADHN CS(=O)(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164983825 722136451 /nfs/dbraw/zinc/13/64/51/722136451.db2.gz VKDLUISAJWZZTM-MJGOQNOKSA-N 0 3 402.520 1.607 20 0 HDADHN NC(=O)c1ccnc(Cl)c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972210 722152988 /nfs/dbraw/zinc/15/29/88/722152988.db2.gz GXOHXJZHALETCA-RDJZCZTQSA-N 0 3 401.898 1.956 20 0 HDADHN Cc1nc(CN2CCO[C@H]3CCN(c4cc5c(nn4)CCNC5)CC[C@H]32)cs1 ZINC001164986948 722184006 /nfs/dbraw/zinc/18/40/06/722184006.db2.gz GHUUOVRWNQASPB-MOPGFXCFSA-N 0 3 400.552 1.757 20 0 HDADHN Cc1cccc(N2CCN(CCC(=O)N3CCN(C(=O)c4cccn4C)CC3)CC2)c1 ZINC000673640916 1073473851 /nfs/dbraw/zinc/47/38/51/1073473851.db2.gz OKMXSQMARORKIP-UHFFFAOYSA-N 0 3 423.561 1.830 20 0 HDADHN CNC(=O)Cn1cc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cn1 ZINC000429053902 1073476844 /nfs/dbraw/zinc/47/68/44/1073476844.db2.gz OHQAQGIJVKGXGH-GOSISDBHSA-N 0 3 400.483 1.042 20 0 HDADHN CN(CC(=O)NC[C@H]1CSCCN1Cc1ccccc1)c1ncnc2[nH]cnc21 ZINC000429059910 1073494564 /nfs/dbraw/zinc/49/45/64/1073494564.db2.gz KTJYNKCXTCLUMP-INIZCTEOSA-N 0 3 411.535 1.523 20 0 HDADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)CC1=O ZINC000673657131 1073590257 /nfs/dbraw/zinc/59/02/57/1073590257.db2.gz SVXSJRSUXHJUCE-RBUKOAKNSA-N 0 3 407.518 1.527 20 0 HDADHN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000673665118 1073618840 /nfs/dbraw/zinc/61/88/40/1073618840.db2.gz CFGXUMRYBMBPTG-WOJBJXKFSA-N 0 3 406.571 1.426 20 0 HDADHN COC[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000673674961 1073630971 /nfs/dbraw/zinc/63/09/71/1073630971.db2.gz JYQSCHDYXBKLID-GOEBONIOSA-N 0 3 401.429 1.919 20 0 HDADHN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000673700896 1073644110 /nfs/dbraw/zinc/64/41/10/1073644110.db2.gz XESYACYFZOSMSV-UXHICEINSA-N 0 3 400.523 1.237 20 0 HDADHN COCCN1CCC(NC(=O)CCc2c(C)nc3c(c(OC)nn3C)c2C)CC1 ZINC000303057540 1073657030 /nfs/dbraw/zinc/65/70/30/1073657030.db2.gz SYCUXXZOUOMNMV-UHFFFAOYSA-N 0 3 403.527 1.753 20 0 HDADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000673750730 1073694149 /nfs/dbraw/zinc/69/41/49/1073694149.db2.gz FEBWKSBYQUBXPJ-YLJYHZDGSA-N 0 3 400.523 1.237 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000673769979 1073714259 /nfs/dbraw/zinc/71/42/59/1073714259.db2.gz NTZCFDGDXOMECF-QGZVFWFLSA-N 0 3 408.568 1.716 20 0 HDADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1c1ncccn1 ZINC000673814437 1073757890 /nfs/dbraw/zinc/75/78/90/1073757890.db2.gz KAKJQSRWSWUADS-NRFANRHFSA-N 0 3 408.550 1.770 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCCN3c3ncccn3)cc2)CC1 ZINC000673815948 1073771835 /nfs/dbraw/zinc/77/18/35/1073771835.db2.gz GRJFSYYHUQINPX-NRFANRHFSA-N 0 3 408.550 1.899 20 0 HDADHN COc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000429148299 1073781909 /nfs/dbraw/zinc/78/19/09/1073781909.db2.gz HQJMNXGSRBCMSR-UHFFFAOYSA-N 0 3 417.510 1.169 20 0 HDADHN C[C@@H](NC[C@H](c1cccs1)N1CCOCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000216380256 1073793075 /nfs/dbraw/zinc/79/30/75/1073793075.db2.gz WRXUQGLEHNPQMD-RHSMWYFYSA-N 0 3 402.520 1.837 20 0 HDADHN CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)N[C@H](CC(N)=O)C2CCOCC2)cc1 ZINC000543490818 1073800470 /nfs/dbraw/zinc/80/04/70/1073800470.db2.gz SPMOCHGNFFLWHQ-RDTXWAMCSA-N 0 3 405.495 1.839 20 0 HDADHN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000673839899 1073805054 /nfs/dbraw/zinc/80/50/54/1073805054.db2.gz IENDJQSAOGFNBO-FGZHOGPDSA-N 0 3 418.557 1.703 20 0 HDADHN NC(=O)C[C@@H](NCCS(=O)(=O)c1ccc(Br)cc1)C1CCOCC1 ZINC000543492007 1073813365 /nfs/dbraw/zinc/81/33/65/1073813365.db2.gz DKIMCNUKECLRDD-OAHLLOKOSA-N 0 3 419.341 1.483 20 0 HDADHN COc1cc(OC)cc(N2CC[C@H](N3CCCN(C[C@H]4CCCO4)CC3)C2=O)c1 ZINC000673914959 1073886750 /nfs/dbraw/zinc/88/67/50/1073886750.db2.gz JKFCAKDQXKEYQO-NQIIRXRSSA-N 0 3 403.523 1.996 20 0 HDADHN COc1cc(OC)cc(N2CC[C@@H](N3CCCN(C[C@H]4CCCO4)CC3)C2=O)c1 ZINC000673914961 1073887089 /nfs/dbraw/zinc/88/70/89/1073887089.db2.gz JKFCAKDQXKEYQO-WIYYLYMNSA-N 0 3 403.523 1.996 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000509176821 1073929968 /nfs/dbraw/zinc/92/99/68/1073929968.db2.gz CPPOGCTWRJSZDJ-GFCCVEGCSA-N 0 3 409.405 1.170 20 0 HDADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)NC1CCN(c2cccnn2)CC1 ZINC000429179238 1073967989 /nfs/dbraw/zinc/96/79/89/1073967989.db2.gz GZWCVGOAULPHRV-JOCHJYFZSA-N 0 3 410.522 1.382 20 0 HDADHN CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000429190995 1074028360 /nfs/dbraw/zinc/02/83/60/1074028360.db2.gz GCNWAEJWZSJAJM-KRWDZBQOSA-N 0 3 411.572 1.125 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)N1CCC[C@H](C)C1 ZINC000543534462 1074033104 /nfs/dbraw/zinc/03/31/04/1074033104.db2.gz MWQWDWJLGMEHIA-JKSUJKDBSA-N 0 3 401.511 1.387 20 0 HDADHN C[C@H](NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1COc2ccccc21 ZINC000543557071 1074094540 /nfs/dbraw/zinc/09/45/40/1074094540.db2.gz IXNHKIFTXHPXMN-WMZOPIPTSA-N 0 3 402.539 1.200 20 0 HDADHN CCC[C@H]1CCCCN1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000543561278 1074100048 /nfs/dbraw/zinc/10/00/48/1074100048.db2.gz WRTIMKHORJKNQU-IBGZPJMESA-N 0 3 423.579 1.978 20 0 HDADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000674039708 1074111561 /nfs/dbraw/zinc/11/15/61/1074111561.db2.gz SRHFWLBXECVGOS-UHFFFAOYSA-N 0 3 418.519 1.100 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)CC1 ZINC000509208674 1074121133 /nfs/dbraw/zinc/12/11/33/1074121133.db2.gz FBBMYCZYCVPGNO-UHFFFAOYSA-N 0 3 403.527 1.843 20 0 HDADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000674039998 1074123757 /nfs/dbraw/zinc/12/37/57/1074123757.db2.gz HTCJAQRAQWCYCJ-KDOFPFPSSA-N 0 3 412.494 1.039 20 0 HDADHN CCCCn1c(N)c(N(CC)C(=O)CN2CCC3(CCOCC3)[C@H]2C)c(=O)[nH]c1=O ZINC000543574850 1074148183 /nfs/dbraw/zinc/14/81/83/1074148183.db2.gz RIGXSSHCFDIWLX-OAHLLOKOSA-N 0 3 421.542 1.575 20 0 HDADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](C(=O)N1CCCC1)C(C)C ZINC000674219102 1074230374 /nfs/dbraw/zinc/23/03/74/1074230374.db2.gz MRJBOMLWKZPNKW-SFHVURJKSA-N 0 3 404.511 1.459 20 0 HDADHN CSc1ccncc1NC(=O)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000674268140 1074248893 /nfs/dbraw/zinc/24/88/93/1074248893.db2.gz LINWGQDOFHKNAY-UHFFFAOYSA-N 0 3 413.547 1.806 20 0 HDADHN CSc1ccncc1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000674270811 1074250524 /nfs/dbraw/zinc/25/05/24/1074250524.db2.gz JBNTWGYBICZXFX-DLBZAZTESA-N 0 3 414.531 1.741 20 0 HDADHN COc1cccc(C[C@H](C(=O)NCCN2CCC(OC)CC2)n2nnnc2C)c1 ZINC000674309978 1074267411 /nfs/dbraw/zinc/26/74/11/1074267411.db2.gz NJCGGIYMGUYKLX-LJQANCHMSA-N 0 3 402.499 1.001 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000674309754 1074267890 /nfs/dbraw/zinc/26/78/90/1074267890.db2.gz KTHXELJNZIQOAE-ROUUACIJSA-N 0 3 409.527 1.195 20 0 HDADHN COC1CCN(CCNC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000674310697 1074268616 /nfs/dbraw/zinc/26/86/16/1074268616.db2.gz IVZYDUUVSMXECY-VFNWGFHPSA-N 0 3 408.543 1.350 20 0 HDADHN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCCN2CCC(OC)CC2)c(OC)c1 ZINC000674323864 1074272855 /nfs/dbraw/zinc/27/28/55/1074272855.db2.gz HPQKDLVWXFDTQN-LJQANCHMSA-N 0 3 419.522 1.535 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000674323342 1074273897 /nfs/dbraw/zinc/27/38/97/1074273897.db2.gz BGCWIBCGFCMNGQ-CEXWTWQISA-N 0 3 405.539 1.579 20 0 HDADHN COC1CCN(CCNC(=O)CNC(=O)c2ccc(Br)s2)CC1 ZINC000674325958 1074274674 /nfs/dbraw/zinc/27/46/74/1074274674.db2.gz SFGOYFAYDZEHJH-UHFFFAOYSA-N 0 3 404.330 1.467 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000674324661 1074274848 /nfs/dbraw/zinc/27/48/48/1074274848.db2.gz OLAZVWGBIDFSCI-OAQYLSRUSA-N 0 3 410.518 1.650 20 0 HDADHN COC1CCN(CCNC(=O)CC[C@@H]2NC(=O)N(c3cccc(C)c3)C2=O)CC1 ZINC000674325405 1074276415 /nfs/dbraw/zinc/27/64/15/1074276415.db2.gz PGETZRAQCAPXRU-SFHVURJKSA-N 0 3 402.495 1.427 20 0 HDADHN COC1CCN(CCNC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000674328105 1074276928 /nfs/dbraw/zinc/27/69/28/1074276928.db2.gz HXRHPFJNVCPENM-UHFFFAOYSA-N 0 3 407.534 1.358 20 0 HDADHN COc1ccc(-c2cc(C(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)n[nH]2)cc1OC ZINC000674360669 1074292098 /nfs/dbraw/zinc/29/20/98/1074292098.db2.gz SKGLANWFWOYANL-ZWKOTPCHSA-N 0 3 400.479 1.765 20 0 HDADHN CC1CCC(N2CCN(C(=O)NC[C@@H]3CCC[C@@]34NC(=O)N(C)C4=O)CC2)CC1 ZINC000674441934 1074354847 /nfs/dbraw/zinc/35/48/47/1074354847.db2.gz XSAGXQPGHGDMCV-NNXXQBJGSA-N 0 3 405.543 1.613 20 0 HDADHN CCOC(=O)COc1cccc(NC(=O)N2CCN(C(=O)CN(CC)CC)CC2)c1 ZINC000509227414 1074390632 /nfs/dbraw/zinc/39/06/32/1074390632.db2.gz NDUQTWKBUPERNO-UHFFFAOYSA-N 0 3 420.510 1.646 20 0 HDADHN Cc1cccc(N2CCN(CCC(=O)N(C)CCN3CCCS3(=O)=O)CC2)c1 ZINC000674563782 1074441092 /nfs/dbraw/zinc/44/10/92/1074441092.db2.gz IZMQHOAYSWOVMO-UHFFFAOYSA-N 0 3 408.568 1.001 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1=O ZINC000674583192 1074448593 /nfs/dbraw/zinc/44/85/93/1074448593.db2.gz JPLKPXQSAWFEET-JKSBSHDWSA-N 0 3 416.497 1.874 20 0 HDADHN C[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1nc(C(F)(F)F)cs1 ZINC000674577074 1074453138 /nfs/dbraw/zinc/45/31/38/1074453138.db2.gz PAODUHHSTNNWOM-NEPJUHHUSA-N 0 3 422.473 1.908 20 0 HDADHN CCN1CCN(c2ccc(C(=O)NC[C@@H]3CCC[C@@]34NC(=O)N(C)C4=O)cc2)CC1 ZINC000674585105 1074465535 /nfs/dbraw/zinc/46/55/35/1074465535.db2.gz VVAZRFNQTMYOAO-HTAPYJJXSA-N 0 3 413.522 1.279 20 0 HDADHN CN(C)CCN(CC1CCCCC1)C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000674644632 1074503048 /nfs/dbraw/zinc/50/30/48/1074503048.db2.gz XIDVLTIBDZHKGF-DYESRHJHSA-N 0 3 407.559 1.860 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000674667644 1074514015 /nfs/dbraw/zinc/51/40/15/1074514015.db2.gz JKIYIUSNDMPBIO-INIZCTEOSA-N 0 3 409.552 1.206 20 0 HDADHN CCCn1ccnc1CCCN(C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000429239326 1074524126 /nfs/dbraw/zinc/52/41/26/1074524126.db2.gz UJGLWGIAHWRPHK-UHFFFAOYSA-N 0 3 401.511 1.735 20 0 HDADHN CS(=O)(=O)N1CCC[C@H]1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000674715263 1074533917 /nfs/dbraw/zinc/53/39/17/1074533917.db2.gz SSNVRFJETXESPZ-SFHVURJKSA-N 0 3 413.515 1.209 20 0 HDADHN COC(=O)c1cc(Cl)cc(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000766065015 1074543729 /nfs/dbraw/zinc/54/37/29/1074543729.db2.gz MTNQGICHFGLVBB-MRXNPFEDSA-N 0 3 408.886 1.897 20 0 HDADHN Cc1ccccc1CN1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000674777574 1074552810 /nfs/dbraw/zinc/55/28/10/1074552810.db2.gz IUJSHHNGJSZGKQ-QGZVFWFLSA-N 0 3 419.551 1.130 20 0 HDADHN COCCN(C)CCOc1cccc(CNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000674922680 1074623067 /nfs/dbraw/zinc/62/30/67/1074623067.db2.gz PUDGCXXZQDEJMM-RTWAWAEBSA-N 0 3 421.538 1.733 20 0 HDADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000674916894 1074627394 /nfs/dbraw/zinc/62/73/94/1074627394.db2.gz GXAMURUBFUDOHN-FGZHOGPDSA-N 0 3 416.566 1.784 20 0 HDADHN C[C@@H]1CN(CC(C)(C)O)CCN1CN1C(=O)c2ccc(Br)cc2C1=O ZINC000766088705 1074682704 /nfs/dbraw/zinc/68/27/04/1074682704.db2.gz OZXDVTLLHMCGDB-GFCCVEGCSA-N 0 3 410.312 1.780 20 0 HDADHN CCN(CC)[C@H](CNC(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)c1ccsc1 ZINC000675087883 1074702580 /nfs/dbraw/zinc/70/25/80/1074702580.db2.gz MSPLNDLZXNSJIZ-CVEARBPZSA-N 0 3 407.540 1.809 20 0 HDADHN C[C@@H]1C[C@H](NC(=O)NCc2cc(S(N)(=O)=O)ccc2F)CN1Cc1ccccc1 ZINC000675102626 1074718769 /nfs/dbraw/zinc/71/87/69/1074718769.db2.gz KILNMTZCXQUCGP-PBHICJAKSA-N 0 3 420.510 1.935 20 0 HDADHN CCN1C(=O)[C@H]2CN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)CCN2C1=O ZINC000675102387 1074719293 /nfs/dbraw/zinc/71/92/93/1074719293.db2.gz YCBCZLKAHCQCBE-RBUKOAKNSA-N 0 3 413.522 1.892 20 0 HDADHN C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)CN1Cc1ccccc1 ZINC000675107627 1074722385 /nfs/dbraw/zinc/72/23/85/1074722385.db2.gz XECTXBUFQOBFIS-VIRVFLBCSA-N 0 3 413.522 1.669 20 0 HDADHN COCc1nc2n(n1)C[C@@H](NC(=O)N1CCCN(Cc3ccccc3C)CC1)CC2 ZINC000675118037 1074726558 /nfs/dbraw/zinc/72/65/58/1074726558.db2.gz CFVUOXZJLBMWLP-IBGZPJMESA-N 0 3 412.538 1.965 20 0 HDADHN CC1(C)CCCN(CCNC(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C1 ZINC000447426792 1074739581 /nfs/dbraw/zinc/73/95/81/1074739581.db2.gz NOBUHPUKMHJEAM-UHFFFAOYSA-N 0 3 418.929 2.157 20 0 HDADHN O=C(NCCN1CCCCCC1)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000484157357 1074740238 /nfs/dbraw/zinc/74/02/38/1074740238.db2.gz HQTILXCIVOUVAT-UHFFFAOYSA-N 0 3 404.902 1.911 20 0 HDADHN COCCN1CCC(NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000670496386 1074753869 /nfs/dbraw/zinc/75/38/69/1074753869.db2.gz NXIGRTFNEIXNTM-UHFFFAOYSA-N 0 3 402.322 1.879 20 0 HDADHN Cc1cc(Br)ncc1NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000766096418 1074754388 /nfs/dbraw/zinc/75/43/88/1074754388.db2.gz SYAOCCJRENBZAB-AWEZNQCLSA-N 0 3 410.316 1.923 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)CNC(=O)Cc2ccccc2)CC1 ZINC000041667574 1075121151 /nfs/dbraw/zinc/12/11/51/1075121151.db2.gz WBIAURFFBVOOBR-UHFFFAOYSA-N 0 3 408.546 1.799 20 0 HDADHN C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC[C@H]1N1CCN(C)CC1 ZINC000485761898 1075127783 /nfs/dbraw/zinc/12/77/83/1075127783.db2.gz LWEUHMMVSMKUTQ-QFBILLFUSA-N 0 3 408.568 1.035 20 0 HDADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)C[C@H]3CCOC3)cc2)CC1 ZINC000675409904 1075135309 /nfs/dbraw/zinc/13/53/09/1075135309.db2.gz QHRCJBRYJWHNSM-IEBWSBKVSA-N 0 3 402.539 1.694 20 0 HDADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000675451503 1075152438 /nfs/dbraw/zinc/15/24/38/1075152438.db2.gz FTRMANOYDUVCRQ-DYVFJYSZSA-N 0 3 424.904 1.691 20 0 HDADHN CNC(=O)COc1ccc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1OC ZINC000675490956 1075175230 /nfs/dbraw/zinc/17/52/30/1075175230.db2.gz FVHVQCXGYMMYPC-MRXNPFEDSA-N 0 3 413.474 1.789 20 0 HDADHN CN(Cc1ccccc1)[C@H]1CCN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000675497432 1075178892 /nfs/dbraw/zinc/17/88/92/1075178892.db2.gz HNXFDYKCVNSJNX-SFHVURJKSA-N 0 3 409.469 1.946 20 0 HDADHN CCN(C(=O)C(=O)Nc1ccn(CCOC)n1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000438654368 1075187812 /nfs/dbraw/zinc/18/78/12/1075187812.db2.gz HTSQNRBSEKFUAZ-HKUYNNGSSA-N 0 3 413.522 2.152 20 0 HDADHN CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1 ZINC000675512233 1075190620 /nfs/dbraw/zinc/19/06/20/1075190620.db2.gz JIQBJTHVROHTEC-MRXNPFEDSA-N 0 3 403.504 1.954 20 0 HDADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)C1 ZINC000675514203 1075191810 /nfs/dbraw/zinc/19/18/10/1075191810.db2.gz YQMXHRRZOWCFOW-FQEVSTJZSA-N 0 3 420.513 1.986 20 0 HDADHN COc1cccc(C[C@@H](C(=O)NC2CCN([C@@H]3CCOC3)CC2)n2nnnc2C)c1 ZINC000675541235 1075196952 /nfs/dbraw/zinc/19/69/52/1075196952.db2.gz MDGCFZRDXGRJLT-QUCCMNQESA-N 0 3 414.510 1.143 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675558537 1075202711 /nfs/dbraw/zinc/20/27/11/1075202711.db2.gz LGFQNTQARSKTFJ-MSOLQXFVSA-N 0 3 407.559 1.019 20 0 HDADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000675586616 1075217240 /nfs/dbraw/zinc/21/72/40/1075217240.db2.gz WHECYVGNCJWEJR-HXUWFJFHSA-N 0 3 411.506 1.565 20 0 HDADHN COC[C@@H](C)n1ccc(NC(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)n1 ZINC000443120859 1075224358 /nfs/dbraw/zinc/22/43/58/1075224358.db2.gz PYWMZMYMMYMMIP-QGZVFWFLSA-N 0 3 405.543 2.192 20 0 HDADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000675591266 1075228791 /nfs/dbraw/zinc/22/87/91/1075228791.db2.gz XWZNYRQTNUMIOR-LJQANCHMSA-N 0 3 417.485 1.730 20 0 HDADHN CS(=O)(=O)c1ccc(CNC[C@H]2CCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC001034997343 1075252637 /nfs/dbraw/zinc/25/26/37/1075252637.db2.gz YVTXBDJUFYMLSM-AZQPHWPRSA-N 0 3 404.532 1.594 20 0 HDADHN COCCNS(=O)(=O)c1ccc(CN[C@H](C)c2cccc(-n3cnnn3)c2)cc1 ZINC000675784320 1075270942 /nfs/dbraw/zinc/27/09/42/1075270942.db2.gz XSJVVJIZLOHRPU-OAHLLOKOSA-N 0 3 416.507 1.438 20 0 HDADHN C[C@H](NCCN1CCN(S(C)(=O)=O)CC1)c1cc(Br)ccc1F ZINC000675820031 1075277644 /nfs/dbraw/zinc/27/76/44/1075277644.db2.gz WESNLPGKWHUUKM-LBPRGKRZSA-N 0 3 408.337 1.816 20 0 HDADHN CC(C)N1CC[C@H](N2CCC3(C2)CCN(C(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)CC3)C1=O ZINC001035207593 1075288828 /nfs/dbraw/zinc/28/88/28/1075288828.db2.gz XMMIHAROEZICRV-XUFBONQXSA-N 0 3 401.551 1.734 20 0 HDADHN Cc1c([C@H](C)N[C@H]2CCN(CCN3CCOCC3)C2)nnn1-c1ccc(F)cc1 ZINC000675885461 1075289100 /nfs/dbraw/zinc/28/91/00/1075289100.db2.gz BDKADIQWHHMCGU-LPHOPBHVSA-N 0 3 402.518 1.772 20 0 HDADHN COC(=O)[C@H]1CCN(CC(=O)NCc2ccccc2CN2CCCC2=O)[C@H]1C(C)C ZINC000429386068 1075307287 /nfs/dbraw/zinc/30/72/87/1075307287.db2.gz PERBWVACBJHCGA-UGKGYDQZSA-N 0 3 415.534 1.945 20 0 HDADHN Cc1cc(C)c(NC(=O)CCCN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C)c1 ZINC000675965067 1075310967 /nfs/dbraw/zinc/31/09/67/1075310967.db2.gz LXIHDQCQLFNHJC-RBUKOAKNSA-N 0 3 423.579 1.418 20 0 HDADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000443841562 1075312727 /nfs/dbraw/zinc/31/27/27/1075312727.db2.gz LBEWADOWPZOSRH-YOEHRIQHSA-N 0 3 415.494 1.651 20 0 HDADHN COc1ccc2[nH]cc(CCNC(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)c2c1 ZINC000675987803 1075314897 /nfs/dbraw/zinc/31/48/97/1075314897.db2.gz SETAIZVHGBUYCF-HXUWFJFHSA-N 0 3 413.522 1.667 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H](Cn2cccn2)c2ccccc2)CC1 ZINC000675996477 1075319721 /nfs/dbraw/zinc/31/97/21/1075319721.db2.gz FSPSIXZCUZPTND-UXHICEINSA-N 0 3 410.522 1.572 20 0 HDADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)C[C@]3(C)CCS(=O)(=O)N3)CC2)cc1 ZINC001129157260 1075322720 /nfs/dbraw/zinc/32/27/20/1075322720.db2.gz FABZCELNTZHALG-FQEVSTJZSA-N 0 3 422.551 1.198 20 0 HDADHN Cc1c(C(=O)N(C)c2ccc(C(N)=O)cc2)nnn1-c1cccc2c1CCN(C)C2 ZINC000731460953 1075356171 /nfs/dbraw/zinc/35/61/71/1075356171.db2.gz GDIOFOATWGJNGW-UHFFFAOYSA-N 0 3 404.474 1.939 20 0 HDADHN Cc1c(C(=O)Nc2ccc(-n3nccn3)nc2)nnn1-c1cccc2c1CCN(C)C2 ZINC000731459840 1075356256 /nfs/dbraw/zinc/35/62/56/1075356256.db2.gz QQFMDLOEHCUWMR-UHFFFAOYSA-N 0 3 415.461 1.792 20 0 HDADHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)C1 ZINC000731467759 1075358077 /nfs/dbraw/zinc/35/80/77/1075358077.db2.gz AUNMXYSLMYNYJN-JPYJTQIMSA-N 0 3 406.486 1.973 20 0 HDADHN COCCN(C)CCNC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000731474643 1075361168 /nfs/dbraw/zinc/36/11/68/1075361168.db2.gz ZNKWHKOPFOMSPA-UHFFFAOYSA-N 0 3 412.556 1.113 20 0 HDADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-n3ccnn3)c2)C1 ZINC000676097830 1075361708 /nfs/dbraw/zinc/36/17/08/1075361708.db2.gz VTZPKWLPJBRWDK-HXUWFJFHSA-N 0 3 404.474 1.939 20 0 HDADHN C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CN1Cc1ccccc1 ZINC000676099073 1075366439 /nfs/dbraw/zinc/36/64/39/1075366439.db2.gz BQFBNACBWMZXLW-WMZOPIPTSA-N 0 3 404.474 1.985 20 0 HDADHN O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000676131694 1075391184 /nfs/dbraw/zinc/39/11/84/1075391184.db2.gz UBFQYYWWJCTNAB-WIYYLYMNSA-N 0 3 408.502 1.977 20 0 HDADHN CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000804093762 1075393291 /nfs/dbraw/zinc/39/32/91/1075393291.db2.gz POEGQTHADIKTLL-DLBZAZTESA-N 0 3 410.559 1.881 20 0 HDADHN CC(C)N(CCN(C)C)C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 ZINC000543659030 1075400292 /nfs/dbraw/zinc/40/02/92/1075400292.db2.gz YKEAKPAKYORTKL-UHFFFAOYSA-N 0 3 418.498 1.371 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1)CN1CCN(C)CC1 ZINC000429400874 1075416820 /nfs/dbraw/zinc/41/68/20/1075416820.db2.gz LJHRJVGJIOQZEW-QGZVFWFLSA-N 0 3 411.506 1.812 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)c2ccccc2O1 ZINC000676190525 1075420601 /nfs/dbraw/zinc/42/06/01/1075420601.db2.gz PNSFJIZGKNJYMA-KSFYIVLOSA-N 0 3 408.458 1.711 20 0 HDADHN CC[C@@H](C)N[C@H](CNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccco1 ZINC000558374310 1075432318 /nfs/dbraw/zinc/43/23/18/1075432318.db2.gz VDMLYBBJWNXILP-HZPDHXFCSA-N 0 3 418.498 1.586 20 0 HDADHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccco1 ZINC000558374300 1075432328 /nfs/dbraw/zinc/43/23/28/1075432328.db2.gz VDMLYBBJWNXILP-CVEARBPZSA-N 0 3 418.498 1.586 20 0 HDADHN Cc1ccc(N2CCC[C@@H](NCc3cnn([C@]4(C)CCS(=O)(=O)C4)c3)C2)nn1 ZINC000676200191 1075434946 /nfs/dbraw/zinc/43/49/46/1075434946.db2.gz YUKKXLNKMWTDBS-IEBWSBKVSA-N 0 3 404.540 1.274 20 0 HDADHN CS(=O)(=O)CCN1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000731685819 1075448030 /nfs/dbraw/zinc/44/80/30/1075448030.db2.gz CFECKMLLNATNFR-LJQANCHMSA-N 0 3 408.568 1.069 20 0 HDADHN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]3CN(C)CCO3)c2C1 ZINC000676280562 1075485889 /nfs/dbraw/zinc/48/58/89/1075485889.db2.gz JQEFMFREUBUMAX-FTRWYGJKSA-N 0 3 402.539 1.821 20 0 HDADHN c1ccc(N2CCN(C[C@H]3CCCN(c4nccc(N5CCOCC5)n4)C3)CC2)nc1 ZINC000676309129 1075493498 /nfs/dbraw/zinc/49/34/98/1075493498.db2.gz DHKBCZUGXKXKQG-HXUWFJFHSA-N 0 3 423.565 1.747 20 0 HDADHN C[C@@H](NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)[C@@H]1CN(C)CCO1 ZINC000676296249 1075499291 /nfs/dbraw/zinc/49/92/91/1075499291.db2.gz LRONQGJWLVLQOI-RISCZKNCSA-N 0 3 423.315 1.753 20 0 HDADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000543672287 1075525047 /nfs/dbraw/zinc/52/50/47/1075525047.db2.gz FWVOIJAVFILRFB-QFIPXVFZSA-N 0 3 418.582 1.420 20 0 HDADHN COc1ccc(N2C[C@H](C(=O)NC3CCN([C@H]4CCOC4)CC3)CC2=O)c(OC)c1 ZINC000676394024 1075541522 /nfs/dbraw/zinc/54/15/22/1075541522.db2.gz WKHDHWZAEFQACR-WBVHZDCISA-N 0 3 417.506 1.426 20 0 HDADHN CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676393577 1075541851 /nfs/dbraw/zinc/54/18/51/1075541851.db2.gz QDVSKPWHQWOREZ-UXHICEINSA-N 0 3 402.539 1.880 20 0 HDADHN O=C1C[C@H](NCc2ccc(OC[C@@H]3CCCO3)cc2)CN1CCN1CCOCC1 ZINC000676418737 1075549009 /nfs/dbraw/zinc/54/90/09/1075549009.db2.gz ODNQUAPSHHZLKD-FPOVZHCZSA-N 0 3 403.523 1.267 20 0 HDADHN O=C1C[C@@H](NCc2ccc(OC[C@H]3CCCO3)cc2)CN1CCN1CCOCC1 ZINC000676418741 1075549398 /nfs/dbraw/zinc/54/93/98/1075549398.db2.gz ODNQUAPSHHZLKD-TZIWHRDSSA-N 0 3 403.523 1.267 20 0 HDADHN Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(C)C2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000676451984 1075557359 /nfs/dbraw/zinc/55/73/59/1075557359.db2.gz LMVAOPPRUBCOHN-PMACEKPBSA-N 0 3 424.549 1.787 20 0 HDADHN C[C@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)c1nc2ccccc2s1 ZINC000804163888 1075567739 /nfs/dbraw/zinc/56/77/39/1075567739.db2.gz FGWBXYHPQOYRFU-HNNXBMFYSA-N 0 3 403.552 1.569 20 0 HDADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)C1 ZINC000676552225 1075584885 /nfs/dbraw/zinc/58/48/85/1075584885.db2.gz ZCWWYPHDBCGOGC-OAQYLSRUSA-N 0 3 418.501 1.998 20 0 HDADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3cnc4c(c3)nnn4C)CC2)cc1 ZINC001273246992 1075587162 /nfs/dbraw/zinc/58/71/62/1075587162.db2.gz ITUQOUAUOVYROA-UHFFFAOYSA-N 0 3 407.478 1.716 20 0 HDADHN CN(C(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000429267351 1075587866 /nfs/dbraw/zinc/58/78/66/1075587866.db2.gz XRCUCULWULCJLJ-INIZCTEOSA-N 0 3 422.489 2.115 20 0 HDADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676546297 1075591185 /nfs/dbraw/zinc/59/11/85/1075591185.db2.gz CHDUZBAZFQKEPU-LJQANCHMSA-N 0 3 406.490 1.554 20 0 HDADHN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)[C@@H]3CCN(C4CC4)C3)C2=O)cc1 ZINC000732035010 1075592037 /nfs/dbraw/zinc/59/20/37/1075592037.db2.gz JDLYHCWUIVMXFP-IIBYNOLFSA-N 0 3 400.479 1.157 20 0 HDADHN CON(C)S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)ccc1Cl ZINC000732035811 1075592180 /nfs/dbraw/zinc/59/21/80/1075592180.db2.gz QYFSCSXQVJAUPW-CQSZACIVSA-N 0 3 401.916 1.831 20 0 HDADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](O)Cc3ccccc3)cc2)CC1 ZINC000509424163 1075594512 /nfs/dbraw/zinc/59/45/12/1075594512.db2.gz CPUGBCWHKMHYIM-JOCHJYFZSA-N 0 3 424.545 1.482 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)N(C)Cc1ccccc1 ZINC000676549633 1075597673 /nfs/dbraw/zinc/59/76/73/1075597673.db2.gz FMBWMEQSXADWFH-QGZVFWFLSA-N 0 3 406.490 1.902 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)NCC3(OC)CCOCC3)cc2)CC1 ZINC000676564883 1075603187 /nfs/dbraw/zinc/60/31/87/1075603187.db2.gz KUJOJYBZHDRBIU-UHFFFAOYSA-N 0 3 404.555 1.819 20 0 HDADHN Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000732114473 1075635969 /nfs/dbraw/zinc/63/59/69/1075635969.db2.gz NNISIDUTNGHRQZ-CYVLTUHYSA-N 0 3 401.490 1.215 20 0 HDADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000676659376 1075641133 /nfs/dbraw/zinc/64/11/33/1075641133.db2.gz NWCXMWYFTIXMAD-HNNXBMFYSA-N 0 3 421.501 1.648 20 0 HDADHN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)c1 ZINC000732166165 1075644519 /nfs/dbraw/zinc/64/45/19/1075644519.db2.gz LUYSQIQFLHQYPX-CQSZACIVSA-N 0 3 415.943 1.573 20 0 HDADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000676696916 1075650463 /nfs/dbraw/zinc/65/04/63/1075650463.db2.gz LFNCMEYVWWBCKT-KRWDZBQOSA-N 0 3 402.543 1.022 20 0 HDADHN CN(C)C[C@@H]1CN(S(=O)(=O)c2cnn(C3CCOCC3)c2)c2ccccc2O1 ZINC000676731391 1075663747 /nfs/dbraw/zinc/66/37/47/1075663747.db2.gz XQQKJPTUWDJWIB-MRXNPFEDSA-N 0 3 406.508 1.753 20 0 HDADHN CCc1ccc([C@@H](CNC(=O)N2CCN(c3nc(N)ns3)CC2)N(C)C)cc1 ZINC000426262709 1075682031 /nfs/dbraw/zinc/68/20/31/1075682031.db2.gz YFRKPJAJTQNMRM-MRXNPFEDSA-N 0 3 403.556 1.817 20 0 HDADHN CCN1CCCC[C@H]1CNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000732292816 1075700974 /nfs/dbraw/zinc/70/09/74/1075700974.db2.gz ACWWPAUHEQBOIF-AWEZNQCLSA-N 0 3 408.549 1.902 20 0 HDADHN Cc1ccc(Nc2nc(N)nc(CN3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2)cc1 ZINC000486237273 1075703777 /nfs/dbraw/zinc/70/37/77/1075703777.db2.gz VTULMDZMKYDLSS-KRWDZBQOSA-N 0 3 410.526 1.244 20 0 HDADHN C[C@@H](OC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000732339647 1075709995 /nfs/dbraw/zinc/70/99/95/1075709995.db2.gz QSDLLHDPUVHMTN-RHSMWYFYSA-N 0 3 421.453 1.506 20 0 HDADHN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)CN1Cc1ccccc1 ZINC000466709564 1075723277 /nfs/dbraw/zinc/72/32/77/1075723277.db2.gz DWAXOMJIOMMXAM-AEFFLSMTSA-N 0 3 404.474 1.985 20 0 HDADHN CCCn1ccnc1CCCN(C)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000429260801 1075727323 /nfs/dbraw/zinc/72/73/23/1075727323.db2.gz OFRYCIDIDGYIHN-HNNXBMFYSA-N 0 3 407.540 1.832 20 0 HDADHN CN(C)Cc1ccc(N2CCN(C(=O)C(=O)Nc3cc(C(C)(C)C)on3)CC2)nc1 ZINC000492175852 1075742968 /nfs/dbraw/zinc/74/29/68/1075742968.db2.gz NLTZESLDHUJISC-UHFFFAOYSA-N 0 3 414.510 1.716 20 0 HDADHN C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1)C1=CCN(C)CC1 ZINC000442335693 1075765789 /nfs/dbraw/zinc/76/57/89/1075765789.db2.gz PIABHWKBFWNQNL-ZDUSSCGKSA-N 0 3 402.886 1.685 20 0 HDADHN CN(C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000509269385 1075783135 /nfs/dbraw/zinc/78/31/35/1075783135.db2.gz SSQRJDVRELMHSO-GOEBONIOSA-N 0 3 412.581 1.637 20 0 HDADHN CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)NC[C@@H](C)N1CCN(CC)CC1 ZINC000142584168 1075783486 /nfs/dbraw/zinc/78/34/86/1075783486.db2.gz DXUZAOAOPROBPV-QGZVFWFLSA-N 0 3 417.554 1.249 20 0 HDADHN CN(C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)[C@H]1CCN(C2CC2)C1 ZINC000509269389 1075783521 /nfs/dbraw/zinc/78/35/21/1075783521.db2.gz SSQRJDVRELMHSO-ZBFHGGJFSA-N 0 3 412.581 1.637 20 0 HDADHN CSC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000429279366 1075796594 /nfs/dbraw/zinc/79/65/94/1075796594.db2.gz LHTAGTYUDIJBDJ-QGZVFWFLSA-N 0 3 411.593 1.595 20 0 HDADHN Cc1ccc([C@@H](CNC(=O)N(CCO)CCN2CCOCC2)N2CCCC2)cc1 ZINC000487905139 1075805387 /nfs/dbraw/zinc/80/53/87/1075805387.db2.gz DTAUDKOMTXXHKW-OAQYLSRUSA-N 0 3 404.555 1.468 20 0 HDADHN CSC[C@@H]1CCCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000429285385 1075815449 /nfs/dbraw/zinc/81/54/49/1075815449.db2.gz OBRRRSBPPTTXBJ-OAHLLOKOSA-N 0 3 403.556 1.087 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCc2cnn(-c3ccccc3)c2)CC1 ZINC000509280342 1075818136 /nfs/dbraw/zinc/81/81/36/1075818136.db2.gz WLRPACLDBCVPRT-UHFFFAOYSA-N 0 3 412.538 1.610 20 0 HDADHN CCOC(=O)CC[C@H]1CCCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000611065821 1075823469 /nfs/dbraw/zinc/82/34/69/1075823469.db2.gz HESZLVUMARBVER-MSOLQXFVSA-N 0 3 410.559 1.694 20 0 HDADHN CNC(=O)Cn1nc(NC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)cc1C ZINC000469663629 1075824055 /nfs/dbraw/zinc/82/40/55/1075824055.db2.gz WSHBUZOSKGKXJN-GOSISDBHSA-N 0 3 400.527 2.216 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000732703802 1075838020 /nfs/dbraw/zinc/83/80/20/1075838020.db2.gz LAQMNAFFMKXLOD-ZCNNSNEGSA-N 0 3 422.957 1.564 20 0 HDADHN CCN1CCN(CCC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)C[C@@H]1C ZINC000611091864 1075839989 /nfs/dbraw/zinc/83/99/89/1075839989.db2.gz AOBIIEYIDQTHCH-LBPRGKRZSA-N 0 3 411.524 1.984 20 0 HDADHN O=C(CCN1CCC[C@H](N2CCCCC2=O)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000732813095 1075874659 /nfs/dbraw/zinc/87/46/59/1075874659.db2.gz UUMVONVIKLQHCD-INIZCTEOSA-N 0 3 419.526 1.139 20 0 HDADHN CCOC(=O)c1sc(CNC(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)nc1C ZINC000611210485 1075874996 /nfs/dbraw/zinc/87/49/96/1075874996.db2.gz KJVDFIRGHHXDDI-HOCLYGCPSA-N 0 3 423.583 1.796 20 0 HDADHN CS[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)=O)cc2)C[C@@H]1N(C)C ZINC000611217258 1075878206 /nfs/dbraw/zinc/87/82/06/1075878206.db2.gz ZYQGYFAQBWFHOB-ZLIFDBKOSA-N 0 3 413.565 1.060 20 0 HDADHN COC(=O)c1ccc(OC[C@H](O)CN[C@]2(CO)CCc3ccccc32)c(OC)c1 ZINC000611225187 1075880375 /nfs/dbraw/zinc/88/03/75/1075880375.db2.gz UDARVIWJNJYTLB-VGSWGCGISA-N 0 3 401.459 1.645 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3c(C)nn(C)c3OC)cc2)CC1 ZINC000732850526 1075885379 /nfs/dbraw/zinc/88/53/79/1075885379.db2.gz BYYZTURBZLQKBO-UHFFFAOYSA-N 0 3 415.494 1.675 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H](O)c3ccccc3C)cc2)CC1 ZINC000732896396 1075897559 /nfs/dbraw/zinc/89/75/59/1075897559.db2.gz MOLIBRFVKIHBJZ-NRFANRHFSA-N 0 3 410.518 1.925 20 0 HDADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCCCO4)C2)CC1 ZINC000611367760 1075914708 /nfs/dbraw/zinc/91/47/08/1075914708.db2.gz YLDZYXOEWPXDEX-GOSISDBHSA-N 0 3 416.522 1.413 20 0 HDADHN Cc1cc(NC(=O)C(=O)NCCN2CCCC[C@H]2C)ccc1N1C(=O)CCC1=O ZINC000733046078 1075953144 /nfs/dbraw/zinc/95/31/44/1075953144.db2.gz FZEFCZDUYMJHRS-OAHLLOKOSA-N 0 3 400.479 1.578 20 0 HDADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC1CCN(C(=O)OC(C)C)CC1 ZINC000733049342 1075955808 /nfs/dbraw/zinc/95/58/08/1075955808.db2.gz CBLAOAVXZAKGDO-UHFFFAOYSA-N 0 3 420.510 1.821 20 0 HDADHN Cc1cc(NC(=O)NCCCCN2CCN(C)CC2)ccc1N1C(=O)CCC1=O ZINC000733036996 1075960893 /nfs/dbraw/zinc/96/08/93/1075960893.db2.gz RCRCYCJMEMNMDW-UHFFFAOYSA-N 0 3 401.511 1.798 20 0 HDADHN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC2(CCN(Cc3cccnc3)CC2)[C@H]2COC[C@H]21 ZINC001079252508 1075967655 /nfs/dbraw/zinc/96/76/55/1075967655.db2.gz MCQBALXWXXBUAB-CSGHFTSRSA-N 0 3 409.530 1.944 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000733143019 1075975421 /nfs/dbraw/zinc/97/54/21/1075975421.db2.gz BXTAEJRDDBQQCH-KSQXCSSUSA-N 0 3 406.486 1.832 20 0 HDADHN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000733157415 1075990257 /nfs/dbraw/zinc/99/02/57/1075990257.db2.gz WUPSKGYGTCGWBR-GOSISDBHSA-N 0 3 416.570 1.199 20 0 HDADHN CNS(=O)(=O)CCCN1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493874283 1075992835 /nfs/dbraw/zinc/99/28/35/1075992835.db2.gz OCBYSHXTWGNFBU-GFCCVEGCSA-N 0 3 405.446 1.867 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)CC1 ZINC000733159573 1075993202 /nfs/dbraw/zinc/99/32/02/1075993202.db2.gz TUSJJKXRQSFYRR-OAHLLOKOSA-N 0 3 414.547 1.268 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)C2(OC)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000733161853 1075994208 /nfs/dbraw/zinc/99/42/08/1075994208.db2.gz KGAHWBJCRVBTAG-KRWDZBQOSA-N 0 3 412.575 1.545 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN(C)[C@@H](C)CS(=O)(=O)CC)cc2)CC1 ZINC000733196003 1076001865 /nfs/dbraw/zinc/00/18/65/1076001865.db2.gz CSSWEDUNJYDSNO-KRWDZBQOSA-N 0 3 410.584 1.522 20 0 HDADHN CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)C1(N(C)C)CCC1 ZINC001081101963 1076002145 /nfs/dbraw/zinc/00/21/45/1076002145.db2.gz WZMXJMURMZKUMI-RMMWZPCPSA-N 0 3 403.567 1.981 20 0 HDADHN CO[C@@H]1CN(CCCc2ccc(C)cc2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001081973125 1076021238 /nfs/dbraw/zinc/02/12/38/1076021238.db2.gz FXRANJCJODNKBL-VNXMGFANSA-N 0 3 402.535 1.795 20 0 HDADHN CCOC(=O)N(C)C1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)CC1 ZINC000727035412 1076030137 /nfs/dbraw/zinc/03/01/37/1076030137.db2.gz BBRCYTZHYDKCNY-UHFFFAOYSA-N 0 3 420.510 1.775 20 0 HDADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000727036694 1076030633 /nfs/dbraw/zinc/03/06/33/1076030633.db2.gz HCQAGSQJLWXDTJ-UHFFFAOYSA-N 0 3 406.490 1.839 20 0 HDADHN CC[C@H](CO)NCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC ZINC000727057809 1076034904 /nfs/dbraw/zinc/03/49/04/1076034904.db2.gz IVFIXHIJVMYFAD-OAHLLOKOSA-N 0 3 413.540 1.559 20 0 HDADHN CNC(=O)c1cccc(CN[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@H]2C)c1 ZINC001082658057 1076062234 /nfs/dbraw/zinc/06/22/34/1076062234.db2.gz KAUBCXQTQLWJDR-RBUQIHAASA-N 0 3 401.507 1.034 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000733650370 1076141148 /nfs/dbraw/zinc/14/11/48/1076141148.db2.gz ZGOGSEAQCMARMX-IEBWSBKVSA-N 0 3 402.495 1.766 20 0 HDADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000733668008 1076148769 /nfs/dbraw/zinc/14/87/69/1076148769.db2.gz AJXXNDVXUZKCKA-SFHVURJKSA-N 0 3 402.495 1.958 20 0 HDADHN COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN([C@@H](C)C3CC3)C3CC3)C2=O)c1 ZINC000733793696 1076202155 /nfs/dbraw/zinc/20/21/55/1076202155.db2.gz RRLCXHOVFQCBBO-ZSEKCTLFSA-N 0 3 400.479 1.756 20 0 HDADHN CNS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001299316467 1076246192 /nfs/dbraw/zinc/24/61/92/1076246192.db2.gz CWHKWACFHGKFLT-UHFFFAOYSA-N 0 3 424.615 1.625 20 0 HDADHN CS(=O)(=O)Cc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000534183908 1076246859 /nfs/dbraw/zinc/24/68/59/1076246859.db2.gz OBGPMCJEAGBWSR-NHCUHLMSSA-N 0 3 416.543 1.844 20 0 HDADHN O=C([C@H]1CN2CCN1CCC2)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000536532028 1076256599 /nfs/dbraw/zinc/25/65/99/1076256599.db2.gz NAQFTIALLFFVMQ-GDBMZVCRSA-N 0 3 422.455 1.844 20 0 HDADHN CN(C)C(=O)c1ccc(NC(=O)CN[C@@]2(CO)CCCN(Cc3ccccc3)C2)cc1 ZINC000733898691 1076259290 /nfs/dbraw/zinc/25/92/90/1076259290.db2.gz RYPTUCMVYJDAKB-DEOSSOPVSA-N 0 3 424.545 1.944 20 0 HDADHN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCN(C(C)C)CC2)c1 ZINC000727807390 1076259746 /nfs/dbraw/zinc/25/97/46/1076259746.db2.gz WKRXDFCBVCLWCV-UHFFFAOYSA-N 0 3 417.959 1.821 20 0 HDADHN CN(Cc1ccccc1)C[C@@H](O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000728065524 1076315217 /nfs/dbraw/zinc/31/52/17/1076315217.db2.gz KTEFOVXDIZXTTO-CYBMUJFWSA-N 0 3 406.284 1.385 20 0 HDADHN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000728070180 1076332358 /nfs/dbraw/zinc/33/23/58/1076332358.db2.gz FIDSRZPNHOAPSD-VAISIZASSA-N 0 3 408.568 1.185 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000728072586 1076332604 /nfs/dbraw/zinc/33/26/04/1076332604.db2.gz DVSNVBYBHUILKU-KGLIPLIRSA-N 0 3 422.448 1.209 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000728073962 1076333869 /nfs/dbraw/zinc/33/38/69/1076333869.db2.gz ZNBTWPIEUROCJA-KRWDZBQOSA-N 0 3 401.536 1.834 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@H](C)C1 ZINC000728135403 1076340118 /nfs/dbraw/zinc/34/01/18/1076340118.db2.gz IYRRKDRROCQSEI-JKSUJKDBSA-N 0 3 406.502 1.837 20 0 HDADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000728141536 1076341901 /nfs/dbraw/zinc/34/19/01/1076341901.db2.gz FRDJXAJSGRUVAO-KRWDZBQOSA-N 0 3 422.501 1.170 20 0 HDADHN NS(=O)(=O)c1ccc(OCCN2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000027368007 1076359663 /nfs/dbraw/zinc/35/96/63/1076359663.db2.gz HCOCRASGRKZGKV-UHFFFAOYSA-N 0 3 417.531 1.741 20 0 HDADHN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)n(C)c2)C1 ZINC000730216913 1076479144 /nfs/dbraw/zinc/47/91/44/1076479144.db2.gz VZHYRHMWRPDODJ-IKGGRYGDSA-N 0 3 424.567 1.039 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC1 ZINC000730218770 1076479987 /nfs/dbraw/zinc/47/99/87/1076479987.db2.gz PLAYUBWAROUWLM-IBGZPJMESA-N 0 3 411.506 1.106 20 0 HDADHN C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000730265718 1076507144 /nfs/dbraw/zinc/50/71/44/1076507144.db2.gz UPIHBFGQDGUNNW-UXLLHSPISA-N 0 3 410.559 1.724 20 0 HDADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000730381828 1076553238 /nfs/dbraw/zinc/55/32/38/1076553238.db2.gz AAVGWNMXDZWBBS-IRXDYDNUSA-N 0 3 422.551 1.846 20 0 HDADHN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(CCN(C)C)Cc3ccccn3)C2=O)cc1 ZINC000730548056 1076598452 /nfs/dbraw/zinc/59/84/52/1076598452.db2.gz RDXKNEMTENORDS-HSZRJFAPSA-N 0 3 423.517 1.747 20 0 HDADHN CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000730682357 1076637659 /nfs/dbraw/zinc/63/76/59/1076637659.db2.gz VPGNVHNVKLAZGI-UHFFFAOYSA-N 0 3 411.462 1.567 20 0 HDADHN CN1CCC2(CC1)NC(=O)N(CN1CCCN(C(=O)CC3CCCC3)CC1)C2=O ZINC000730803354 1076655158 /nfs/dbraw/zinc/65/51/58/1076655158.db2.gz HDQWPEOEYWYDPG-UHFFFAOYSA-N 0 3 405.543 1.075 20 0 HDADHN CC(C)N1C(=O)c2ccc(C(=O)N3CC[C@@H](N4CCCCC4)C3)cc2S1(=O)=O ZINC000730793772 1076661481 /nfs/dbraw/zinc/66/14/81/1076661481.db2.gz KCLFZSRUVAEOBO-MRXNPFEDSA-N 0 3 405.520 1.940 20 0 HDADHN CN(CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C[C@H]1CCCOC1 ZINC000730808620 1076665153 /nfs/dbraw/zinc/66/51/53/1076665153.db2.gz PHZQRGMNFAQXJC-YWMGUWEJSA-N 0 3 421.563 1.490 20 0 HDADHN CN(CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C[C@H]1CCCOC1 ZINC000730808615 1076665174 /nfs/dbraw/zinc/66/51/74/1076665174.db2.gz PHZQRGMNFAQXJC-TXRMIHFUSA-N 0 3 421.563 1.490 20 0 HDADHN COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NC[C@@H]2CCCN(C)C2)c1 ZINC000731039056 1076716869 /nfs/dbraw/zinc/71/68/69/1076716869.db2.gz PPADCFMAQMWDDO-LZNQSLFOSA-N 0 3 412.508 1.510 20 0 HDADHN CCOC(=O)C1CCN(C2CCN(c3ncnc(C(=O)OC)c3OC)CC2)CC1 ZINC001164616475 719035453 /nfs/dbraw/zinc/03/54/53/719035453.db2.gz DBCAWDQSGVFIJF-UHFFFAOYSA-N 0 3 406.483 1.516 20 0 HDADHN O=C(N[C@@H]1CN(c2ccc(CN3CCCC3)cn2)C[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC001164716828 720055205 /nfs/dbraw/zinc/05/52/05/720055205.db2.gz XLUSRWYASIOPGQ-DWLFOUALSA-N 0 3 422.533 1.881 20 0 HDADHN CNC(=O)CN1CCOC[C@]2(CCCN(c3ncccc3CN3CCCC3)C2)C1 ZINC001164723384 720306440 /nfs/dbraw/zinc/30/64/40/720306440.db2.gz OKOPQXLFHRCCKI-JOCHJYFZSA-N 0 3 401.555 1.342 20 0 HDADHN CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@@H](CCN2c2ccc(CN(C)C3CC3)cn2)O1 ZINC001164723073 720323651 /nfs/dbraw/zinc/32/36/51/720323651.db2.gz GWKOYFPXKYGLJS-XUVXKRRUSA-N 0 3 402.539 1.907 20 0 HDADHN COC(=O)c1ccc2cnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2c1 ZINC001164744975 720635535 /nfs/dbraw/zinc/63/55/35/720635535.db2.gz SUKWNPRGQMBZFZ-DLBZAZTESA-N 0 3 406.446 1.548 20 0 HDADHN CCOC(=O)c1ccc2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164736661 720697954 /nfs/dbraw/zinc/69/79/54/720697954.db2.gz AHNHTPDVGVVWDA-DLBZAZTESA-N 0 3 420.473 1.938 20 0 HDADHN CON(C)C(=O)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164737601 720706124 /nfs/dbraw/zinc/70/61/24/720706124.db2.gz GNDVMCGPMIGJMX-LSDHHAIUSA-N 0 3 418.885 1.500 20 0 HDADHN c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(CN5CCOCC5)cn4)CCN3C2)c1 ZINC001164867981 721051316 /nfs/dbraw/zinc/05/13/16/721051316.db2.gz LPJWOBLYAXYPKB-YADHBBJMSA-N 0 3 409.534 1.789 20 0 HDADHN CON(C)C(=O)c1cc(C)cnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164872767 721123904 /nfs/dbraw/zinc/12/39/04/721123904.db2.gz IHCONHBMTZAPIA-RBUKOAKNSA-N 0 3 411.506 1.898 20 0 HDADHN CCNS(=O)(=O)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164879422 721141254 /nfs/dbraw/zinc/14/12/54/721141254.db2.gz RZWUXPYBYHWKDP-ROUUACIJSA-N 0 3 417.535 1.255 20 0 HDADHN COC(=O)CSc1cncc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164879885 721163473 /nfs/dbraw/zinc/16/34/73/721163473.db2.gz UYPNALMRWUPYMP-SJORKVTESA-N 0 3 415.519 1.616 20 0 HDADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(CN5C(=O)CCC5=O)cn4)C[C@H]3C2)cn1 ZINC001164764311 721165171 /nfs/dbraw/zinc/16/51/71/721165171.db2.gz GZZSIYOBHSYUJQ-RTBURBONSA-N 0 3 408.506 1.422 20 0 HDADHN CNC(=O)c1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867830 721188746 /nfs/dbraw/zinc/18/87/46/721188746.db2.gz IIXLULNQAFGNMF-LSDHHAIUSA-N 0 3 402.886 1.364 20 0 HDADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5nc[nH]c54)C3)O2)CC1 ZINC001164886765 721382397 /nfs/dbraw/zinc/38/23/97/721382397.db2.gz GDXNILMHEHFHIL-AUUYWEPGSA-N 0 3 405.934 1.772 20 0 HDADHN CCOC(=O)Cc1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1 ZINC001164890626 721412551 /nfs/dbraw/zinc/41/25/51/721412551.db2.gz UESUXOJRGBNNGK-OFNKIYASSA-N 0 3 416.566 1.953 20 0 HDADHN CCOC(=O)Cc1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1 ZINC001164890622 721412602 /nfs/dbraw/zinc/41/26/02/721412602.db2.gz UESUXOJRGBNNGK-NZQKXSOJSA-N 0 3 416.566 1.953 20 0 HDADHN CCc1cc(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)nc(N2CCOCC2)n1 ZINC001164783453 721418510 /nfs/dbraw/zinc/41/85/10/721418510.db2.gz IQEAXEJFNSRRDK-IYBDPMFKSA-N 0 3 400.552 1.900 20 0 HDADHN CN(Cc1cccnc1)[C@H]1CN(c2ccnc(N3CCN(C)CC3)n2)[C@H]2CCCO[C@H]12 ZINC001164802621 721584949 /nfs/dbraw/zinc/58/49/49/721584949.db2.gz HHHACGHNZBVYCQ-ONTIZHBOSA-N 0 3 423.565 1.492 20 0 HDADHN NS(=O)(=O)c1cccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164965248 722062499 /nfs/dbraw/zinc/06/24/99/722062499.db2.gz JUXUAYUMFMGXFO-UHFFFAOYSA-N 0 3 417.535 1.243 20 0 HDADHN CN1CCN(c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)CC1 ZINC001164978369 722102058 /nfs/dbraw/zinc/10/20/58/722102058.db2.gz GTATXHBIQMTXIR-RTWAWAEBSA-N 0 3 423.565 1.351 20 0 HDADHN NC(=O)c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncc1Cl ZINC001164983414 722103067 /nfs/dbraw/zinc/10/30/67/722103067.db2.gz QAKOZIZJNWPUOO-CRAIPNDOSA-N 0 3 401.898 1.956 20 0 HDADHN COC(=O)c1cc(OC)cnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978200 722108722 /nfs/dbraw/zinc/10/87/22/722108722.db2.gz NUNHYSQRMVVIOL-PXNSSMCTSA-N 0 3 412.490 1.999 20 0 HDADHN CON(C)C(=O)c1cccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982038 722133395 /nfs/dbraw/zinc/13/33/95/722133395.db2.gz QUQLBFWLPGSIGC-ICSRJNTNSA-N 0 3 411.506 1.837 20 0 HDADHN CN(CCCN1CCN(C)CC1)C(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000429056405 1073484643 /nfs/dbraw/zinc/48/46/43/1073484643.db2.gz XBAHAERPJUOWDK-NRFANRHFSA-N 0 3 419.639 1.883 20 0 HDADHN C[C@H](CNC(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)CN1CCN(C)CC1 ZINC000509097348 1073521610 /nfs/dbraw/zinc/52/16/10/1073521610.db2.gz JMKBSUTXVRQGFJ-BPAFIMBUSA-N 0 3 421.973 1.795 20 0 HDADHN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000673665112 1073618860 /nfs/dbraw/zinc/61/88/60/1073618860.db2.gz CFGXUMRYBMBPTG-PMACEKPBSA-N 0 3 406.571 1.426 20 0 HDADHN CN(Cc1ccccc1)[C@H]1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000673715446 1073654313 /nfs/dbraw/zinc/65/43/13/1073654313.db2.gz VVXAIADLRKKQNQ-FQEVSTJZSA-N 0 3 410.518 1.373 20 0 HDADHN CCN(CC)CCO[C@@H]1CCN(C(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000673729480 1073662067 /nfs/dbraw/zinc/66/20/67/1073662067.db2.gz LKUQQTVOCMYPPB-NVXWUHKLSA-N 0 3 400.516 1.947 20 0 HDADHN COc1ccccc1C[C@@H](N[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)C ZINC000543490060 1073796903 /nfs/dbraw/zinc/79/69/03/1073796903.db2.gz AXFBUEQTLCKJOA-DZGCQCFKSA-N 0 3 402.495 1.103 20 0 HDADHN COc1ccccc1C[C@H](N[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)C ZINC000543490066 1073796971 /nfs/dbraw/zinc/79/69/71/1073796971.db2.gz AXFBUEQTLCKJOA-ZFWWWQNUSA-N 0 3 402.495 1.103 20 0 HDADHN NC(=O)C[C@H](NCC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C1CCOCC1 ZINC000543489808 1073798010 /nfs/dbraw/zinc/79/80/10/1073798010.db2.gz HNAVSSKPHIVQOD-ZDUSSCGKSA-N 0 3 413.400 1.780 20 0 HDADHN NC(=O)C[C@@H](NCC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C1CCOCC1 ZINC000543489797 1073798057 /nfs/dbraw/zinc/79/80/57/1073798057.db2.gz HNAVSSKPHIVQOD-CYBMUJFWSA-N 0 3 413.400 1.780 20 0 HDADHN NC(=O)C[C@@H](N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)C1CCOCC1 ZINC000543494419 1073824712 /nfs/dbraw/zinc/82/47/12/1073824712.db2.gz GZEBWXQMBBNCLP-HZPDHXFCSA-N 0 3 415.412 1.951 20 0 HDADHN C[C@@H](NC(=O)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000670424002 1073830436 /nfs/dbraw/zinc/83/04/36/1073830436.db2.gz FGWRTLNCFZMYJF-HXUWFJFHSA-N 0 3 423.561 1.973 20 0 HDADHN Cc1ccccc1CN1CCCN(C(=O)CNS(=O)(=O)CCOC(C)C)CC1 ZINC000673905922 1073878917 /nfs/dbraw/zinc/87/89/17/1073878917.db2.gz OPOPOIFWIBWALN-UHFFFAOYSA-N 0 3 411.568 1.374 20 0 HDADHN CNC(=O)N[C@@H]1CCN(C(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000466583950 1074023164 /nfs/dbraw/zinc/02/31/64/1074023164.db2.gz ANTDCCMZPSWSFM-LJQANCHMSA-N 0 3 416.570 1.610 20 0 HDADHN CCn1cnnc1-c1ccccc1NC(=O)C(=O)NCCCN1CCN(CC)CC1 ZINC000543533493 1074032288 /nfs/dbraw/zinc/03/22/88/1074032288.db2.gz OTJLLLDTSOMCIA-UHFFFAOYSA-N 0 3 413.526 1.047 20 0 HDADHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000674002053 1074041047 /nfs/dbraw/zinc/04/10/47/1074041047.db2.gz BPVUDTQRBOIAFG-UHFFFAOYSA-N 0 3 420.535 1.668 20 0 HDADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1CN1CCNC1=O ZINC000543535257 1074042363 /nfs/dbraw/zinc/04/23/63/1074042363.db2.gz TYGHVUSEXYHRSU-CVEARBPZSA-N 0 3 401.511 1.387 20 0 HDADHN Cc1[nH]c(=O)c(Br)cc1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000509197898 1074048468 /nfs/dbraw/zinc/04/84/68/1074048468.db2.gz SWOVHGOQRFKNQD-CQSZACIVSA-N 0 3 413.316 1.531 20 0 HDADHN Cc1cc(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)ccc1-n1cnnn1 ZINC000058739487 1074057919 /nfs/dbraw/zinc/05/79/19/1074057919.db2.gz HDDZDKYAUDBRLN-UHFFFAOYSA-N 0 3 407.434 1.693 20 0 HDADHN COc1ccc(CN2CCN(C(=O)CN3CCC[C@@H](C(=O)N(C)C)C3)CC2)cc1 ZINC000110737139 1074114087 /nfs/dbraw/zinc/11/40/87/1074114087.db2.gz WWPSYFCZFVTYEL-LJQANCHMSA-N 0 3 402.539 1.140 20 0 HDADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccnc(O[C@H]2CCOC2)c1 ZINC000543578063 1074160405 /nfs/dbraw/zinc/16/04/05/1074160405.db2.gz TXBUUYUJFJOTNQ-QHAWAJNXSA-N 0 3 411.502 1.862 20 0 HDADHN Cc1c(C(=O)N2CCN(C[C@H]3CCOC3)CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000674132534 1074188375 /nfs/dbraw/zinc/18/83/75/1074188375.db2.gz WQKJDCMCOSQSKG-GOSISDBHSA-N 0 3 424.549 1.358 20 0 HDADHN CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000674193200 1074208506 /nfs/dbraw/zinc/20/85/06/1074208506.db2.gz SISVWPXHUBQNAC-QGZVFWFLSA-N 0 3 408.524 1.377 20 0 HDADHN O=C(NCc1ccc(COC2CCOCC2)cc1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000674255261 1074241084 /nfs/dbraw/zinc/24/10/84/1074241084.db2.gz AGZZCRYKFMVFKO-FQEVSTJZSA-N 0 3 415.534 1.695 20 0 HDADHN COC1CCN(CCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000674324990 1074273877 /nfs/dbraw/zinc/27/38/77/1074273877.db2.gz KFTMLFYXNLPULC-UHFFFAOYSA-N 0 3 403.932 1.188 20 0 HDADHN COC1CCN(CCNC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000674324660 1074274948 /nfs/dbraw/zinc/27/49/48/1074274948.db2.gz OLAZVWGBIDFSCI-NRFANRHFSA-N 0 3 410.518 1.650 20 0 HDADHN COC1CCN(CCNC(=O)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000674328174 1074276805 /nfs/dbraw/zinc/27/68/05/1074276805.db2.gz KMZJIMASCCJJSJ-OAHLLOKOSA-N 0 3 412.556 1.408 20 0 HDADHN COC1CCN(CCNC(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)CC1 ZINC000674328907 1074278497 /nfs/dbraw/zinc/27/84/97/1074278497.db2.gz SZXNDPNCEZOTLS-OAQYLSRUSA-N 0 3 404.555 1.778 20 0 HDADHN COc1cc(OC)cc(N2CC[C@@H](NC(=O)NCCN3CCC(OC)CC3)C2)c1 ZINC000674330875 1074285841 /nfs/dbraw/zinc/28/58/41/1074285841.db2.gz ALKSBPISDVXWRR-MRXNPFEDSA-N 0 3 406.527 1.693 20 0 HDADHN COc1ccc(-c2cc(C(=O)N3CCN([C@@H]4CCC[C@H]4O)CC3)n[nH]2)cc1OC ZINC000674360666 1074292197 /nfs/dbraw/zinc/29/21/97/1074292197.db2.gz SKGLANWFWOYANL-QZTJIDSGSA-N 0 3 400.479 1.765 20 0 HDADHN CCN1C(=O)[C@@H]2CN(CCC(=O)Nc3ccc(N4CCCC4=O)cc3)CCN2C1=O ZINC000674469093 1074366945 /nfs/dbraw/zinc/36/69/45/1074366945.db2.gz WKIZYVZWUYJJCV-KRWDZBQOSA-N 0 3 413.478 1.110 20 0 HDADHN Cc1c(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000674520158 1074420455 /nfs/dbraw/zinc/42/04/55/1074420455.db2.gz YPNLBOPTYYRUJI-INIZCTEOSA-N 0 3 410.522 1.693 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ncccc2OCC(F)(F)F)CC1 ZINC000674545827 1074427279 /nfs/dbraw/zinc/42/72/79/1074427279.db2.gz BDPQLQFNMHUEQR-CYBMUJFWSA-N 0 3 400.401 1.577 20 0 HDADHN CN(CCN1CCCS1(=O)=O)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000674615286 1074484712 /nfs/dbraw/zinc/48/47/12/1074484712.db2.gz GLLDXSDXRMUPDM-OAHLLOKOSA-N 0 3 400.570 1.562 20 0 HDADHN CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)N(C)C)cc1 ZINC000674615013 1074485245 /nfs/dbraw/zinc/48/52/45/1074485245.db2.gz DAWTZWFRGJKMRC-NPPFBWRTSA-N 0 3 415.538 1.871 20 0 HDADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000674639362 1074498286 /nfs/dbraw/zinc/49/82/86/1074498286.db2.gz SYYTVIOCBAKPPK-KKSFZXQISA-N 0 3 419.501 1.619 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)CC1 ZINC000674917051 1074627469 /nfs/dbraw/zinc/62/74/69/1074627469.db2.gz IFZXDYSZHUAYRN-VXKWHMMOSA-N 0 3 416.566 1.914 20 0 HDADHN CCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCN(CCOC)CC3)cc(C(C)C)nc21 ZINC000142454185 1074648011 /nfs/dbraw/zinc/64/80/11/1074648011.db2.gz ZXFJQLDNDKWHOA-UHFFFAOYSA-N 0 3 417.510 1.069 20 0 HDADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000766086141 1074659010 /nfs/dbraw/zinc/65/90/10/1074659010.db2.gz ZCOGNTRXBMRLKN-SFHVURJKSA-N 0 3 415.494 1.722 20 0 HDADHN O=C(NCc1ccccc1CN1CCC(O)CC1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000674985743 1074660169 /nfs/dbraw/zinc/66/01/69/1074660169.db2.gz JGHAUARNCOJGLP-SFTDATJTSA-N 0 3 403.523 1.733 20 0 HDADHN COC(=O)CCc1nnc(NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)s1 ZINC000467469227 1074728608 /nfs/dbraw/zinc/72/86/08/1074728608.db2.gz MUBDGHBTCOWWCE-HIFRSBDPSA-N 0 3 403.508 2.428 20 0 HDADHN Cc1c(C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)nnn1-c1cccc2c1CCN(C)C2 ZINC000675188287 1074751981 /nfs/dbraw/zinc/75/19/81/1074751981.db2.gz JJKLZSFFYMNHMF-IEBWSBKVSA-N 0 3 408.506 1.447 20 0 HDADHN COC(=O)Cn1ccc(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)n1 ZINC000562215895 1074752292 /nfs/dbraw/zinc/75/22/92/1074752292.db2.gz DTMCOUTVBJEUEO-QGZVFWFLSA-N 0 3 403.483 2.268 20 0 HDADHN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN[C@@H]1Cc2cccc(O)c2C1 ZINC000429323450 1074757763 /nfs/dbraw/zinc/75/77/63/1074757763.db2.gz WIJKIHADPXAKLO-UZLBHIALSA-N 0 3 407.470 1.831 20 0 HDADHN Cc1cc(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)nn1-c1ccc(F)cc1F ZINC000580254298 1074775006 /nfs/dbraw/zinc/77/50/06/1074775006.db2.gz MHKULTMZLJFOGN-CYBMUJFWSA-N 0 3 405.449 2.388 20 0 HDADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675291908 1074782514 /nfs/dbraw/zinc/78/25/14/1074782514.db2.gz WQSVENLCIANVSK-CKEIUWERSA-N 0 3 422.476 1.423 20 0 HDADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675318206 1074797337 /nfs/dbraw/zinc/79/73/37/1074797337.db2.gz UNOBYBBWBDMZJR-DOTOQJQBSA-N 0 3 406.914 1.552 20 0 HDADHN CCn1c(CNC(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)nc2ccccc21 ZINC000785478244 1074799937 /nfs/dbraw/zinc/79/99/37/1074799937.db2.gz NKMHFEPUECVQMO-SFHVURJKSA-N 0 3 407.518 1.962 20 0 HDADHN C[N@@H+]1CCC[C@H]2CN(C(=O)c3c(F)ccc(S(=O)(=O)[N-]C4CC4)c3F)CC[C@H]21 ZINC000766114332 1074821185 /nfs/dbraw/zinc/82/11/85/1074821185.db2.gz SLVHBECDDFHEAJ-SWLSCSKDSA-N 0 3 413.490 1.962 20 0 HDADHN C[N@H+]1CCC[C@H]2CN(C(=O)c3c(F)ccc(S(=O)(=O)[N-]C4CC4)c3F)CC[C@H]21 ZINC000766114332 1074821191 /nfs/dbraw/zinc/82/11/91/1074821191.db2.gz SLVHBECDDFHEAJ-SWLSCSKDSA-N 0 3 413.490 1.962 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000509328654 1075113329 /nfs/dbraw/zinc/11/33/29/1075113329.db2.gz STHUGOSQZWJRHH-ROUUACIJSA-N 0 3 411.591 1.070 20 0 HDADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000675379836 1075119156 /nfs/dbraw/zinc/11/91/56/1075119156.db2.gz QYNRHHAUYUTYDW-CXAGYDPISA-N 0 3 422.888 1.301 20 0 HDADHN C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000485761897 1075127532 /nfs/dbraw/zinc/12/75/32/1075127532.db2.gz LWEUHMMVSMKUTQ-LPHOPBHVSA-N 0 3 408.568 1.035 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1)CN1CCN(C)CC1 ZINC000675403615 1075128929 /nfs/dbraw/zinc/12/89/29/1075128929.db2.gz NCMGPWXFQFCEMU-ROUUACIJSA-N 0 3 412.538 1.431 20 0 HDADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)C[C@@H]3CCOC3)cc2)CC1 ZINC000675409905 1075135251 /nfs/dbraw/zinc/13/52/51/1075135251.db2.gz QHRCJBRYJWHNSM-MJGOQNOKSA-N 0 3 402.539 1.694 20 0 HDADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000675433366 1075142756 /nfs/dbraw/zinc/14/27/56/1075142756.db2.gz NKFUQLXMVDYVJI-CXAGYDPISA-N 0 3 422.888 1.301 20 0 HDADHN CC[C@@]1(C)NC(=O)N(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1=O ZINC000429345344 1075145133 /nfs/dbraw/zinc/14/51/33/1075145133.db2.gz CNBNTELRQQOLCY-DYESRHJHSA-N 0 3 402.495 1.114 20 0 HDADHN CSC[C@H](CCO)N[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766140699 1075163677 /nfs/dbraw/zinc/16/36/77/1075163677.db2.gz RXWCGEKAHCXNEF-JSGCOSHPSA-N 0 3 410.583 1.177 20 0 HDADHN CN(C)C[C@H]1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)c2ccccc2O1 ZINC000675472527 1075166881 /nfs/dbraw/zinc/16/68/81/1075166881.db2.gz PBZQMCYHYNCISX-HNNXBMFYSA-N 0 3 400.464 1.180 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2O1 ZINC000675490252 1075174909 /nfs/dbraw/zinc/17/49/09/1075174909.db2.gz PYZFGCYGJXXTEX-INIZCTEOSA-N 0 3 403.504 1.906 20 0 HDADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1C[C@H](CN(C)C)Oc3ccccc31)C2=O ZINC000675491516 1075175590 /nfs/dbraw/zinc/17/55/90/1075175590.db2.gz KSYPWNJYZAKSID-VVBPWWLESA-N 0 3 414.506 1.843 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)c2nc3ncc(Br)cn3n2)c2ccccc2O1 ZINC000675492594 1075176928 /nfs/dbraw/zinc/17/69/28/1075176928.db2.gz WLACRKWTDHSIKL-GFCCVEGCSA-N 0 3 417.267 1.856 20 0 HDADHN Cc1cc(NC(=O)NC[C@@]2(O)CCN(C)C2)nn1CCCOc1ccc(F)cc1 ZINC000547288945 1075180282 /nfs/dbraw/zinc/18/02/82/1075180282.db2.gz FININOGBYBUBSU-FQEVSTJZSA-N 0 3 405.474 1.988 20 0 HDADHN CC1CCC(NS(=O)(=O)CC(=O)N2C[C@H](CN(C)C)Oc3ccccc32)CC1 ZINC000675511686 1075191059 /nfs/dbraw/zinc/19/10/59/1075191059.db2.gz RMJRRWLHLWPSIO-JCYILVPMSA-N 0 3 409.552 1.840 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)c2ccccc2O1 ZINC000675512467 1075191139 /nfs/dbraw/zinc/19/11/39/1075191139.db2.gz PKWWSPFEMSEROY-NSHDSACASA-N 0 3 423.267 1.067 20 0 HDADHN COc1ccc(C)cc1N1C[C@H](C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1=O ZINC000675537743 1075195253 /nfs/dbraw/zinc/19/52/53/1075195253.db2.gz JTMRWEVCWWOWFF-AEFFLSMTSA-N 0 3 401.507 1.726 20 0 HDADHN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000675540953 1075196935 /nfs/dbraw/zinc/19/69/35/1075196935.db2.gz GIXROCBLBULNIF-BBRMVZONSA-N 0 3 415.943 1.376 20 0 HDADHN CN1CCN(c2ncc(CN[C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)cn2)CC1 ZINC000675552496 1075207416 /nfs/dbraw/zinc/20/74/16/1075207416.db2.gz GEDNCYHAJIVBKQ-MSOLQXFVSA-N 0 3 409.456 1.853 20 0 HDADHN O=C(NCCCCN1CCN(c2ccccc2)CC1)C(=O)Nc1cnn(CC2CC2)c1 ZINC000675587128 1075216752 /nfs/dbraw/zinc/21/67/52/1075216752.db2.gz UQUMLKCICZVFRJ-UHFFFAOYSA-N 0 3 424.549 1.950 20 0 HDADHN COC(=O)[C@H]1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)[C@H]1C(C)C ZINC000429364463 1075221993 /nfs/dbraw/zinc/22/19/93/1075221993.db2.gz GFQQWHDJPRBYPI-ICSRJNTNSA-N 0 3 409.571 1.657 20 0 HDADHN C[C@@H](CNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)N(C)Cc1ccccc1 ZINC000429366487 1075238500 /nfs/dbraw/zinc/23/85/00/1075238500.db2.gz SADNBBYCPWCXQY-AWEZNQCLSA-N 0 3 410.478 2.019 20 0 HDADHN CO[C@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1Cl ZINC000675659750 1075250669 /nfs/dbraw/zinc/25/06/69/1075250669.db2.gz YCKOJTQEPPVFEA-GOSISDBHSA-N 0 3 408.930 1.977 20 0 HDADHN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000675699205 1075260187 /nfs/dbraw/zinc/26/01/87/1075260187.db2.gz RKUPZHHAQRBPAZ-PBHICJAKSA-N 0 3 422.551 1.302 20 0 HDADHN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000675848604 1075278360 /nfs/dbraw/zinc/27/83/60/1075278360.db2.gz ONFAZSMFONFCIU-GOEBONIOSA-N 0 3 402.520 1.623 20 0 HDADHN O=C(CN1CCCC1)N1CCN(C(=O)NC2CCN(c3nccs3)CC2)CC1 ZINC000466698206 1075279685 /nfs/dbraw/zinc/27/96/85/1075279685.db2.gz VGAKSQYTQCRAMJ-UHFFFAOYSA-N 0 3 406.556 1.062 20 0 HDADHN O=S(=O)([C@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1)N1CCCC1 ZINC000509371590 1075286957 /nfs/dbraw/zinc/28/69/57/1075286957.db2.gz JTNCRTGLRNGKAB-NRFANRHFSA-N 0 3 406.596 1.699 20 0 HDADHN Cc1nn(C)c2nc(C)c(CC(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)c(C)c12 ZINC000675917945 1075291566 /nfs/dbraw/zinc/29/15/66/1075291566.db2.gz JZIAAJFKJPQEBO-GOSISDBHSA-N 0 3 412.538 1.201 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2nnn(C3CC3)c2C(F)(F)F)CC1 ZINC000675918784 1075291581 /nfs/dbraw/zinc/29/15/81/1075291581.db2.gz WGNUMAWZYFDSMI-GFCCVEGCSA-N 0 3 400.405 1.010 20 0 HDADHN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000509372166 1075291823 /nfs/dbraw/zinc/29/18/23/1075291823.db2.gz MYXZOTGJKQRRPL-UHFFFAOYSA-N 0 3 419.469 1.943 20 0 HDADHN CN1CCN(CCNC(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1(C)C ZINC000479102253 1075297105 /nfs/dbraw/zinc/29/71/05/1075297105.db2.gz UHTFXPPUUQOTMG-UHFFFAOYSA-N 0 3 415.365 1.794 20 0 HDADHN Cc1cc(C)c(NC(=O)CCCN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C)c1 ZINC000675965065 1075310887 /nfs/dbraw/zinc/31/08/87/1075310887.db2.gz LXIHDQCQLFNHJC-MOPGFXCFSA-N 0 3 423.579 1.418 20 0 HDADHN COc1ccccc1OCCCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000675978541 1075317814 /nfs/dbraw/zinc/31/78/14/1075317814.db2.gz JDQGZPJEBNFXGV-KRWDZBQOSA-N 0 3 404.511 1.412 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000675981322 1075318777 /nfs/dbraw/zinc/31/87/77/1075318777.db2.gz KQMPUINXOYLSSZ-QFBILLFUSA-N 0 3 421.492 1.492 20 0 HDADHN COC(=O)c1cc(C(=O)NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)n(C)n1 ZINC001129158055 1075323025 /nfs/dbraw/zinc/32/30/25/1075323025.db2.gz MNKKUSIWEJKGCA-UHFFFAOYSA-N 0 3 413.478 1.560 20 0 HDADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)[C@@H](C)N3C(=O)CCC3=O)CC2)cc1 ZINC001129157680 1075323085 /nfs/dbraw/zinc/32/30/85/1075323085.db2.gz JNEVKULIPBHZBW-CQSZACIVSA-N 0 3 400.479 1.263 20 0 HDADHN COC(=O)[C@H]1CCN(CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)[C@H]1C(C)C ZINC000429393981 1075352447 /nfs/dbraw/zinc/35/24/47/1075352447.db2.gz MNCQEGWTGGPBJA-ICSRJNTNSA-N 0 3 409.571 1.907 20 0 HDADHN Cc1c(C(=O)N2CCCC[C@H]2C2OCCO2)nnn1-c1cccc2c1CCN(C)C2 ZINC000731460764 1075356230 /nfs/dbraw/zinc/35/62/30/1075356230.db2.gz BACBIVJQUBUELM-IBGZPJMESA-N 0 3 411.506 1.931 20 0 HDADHN COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)[C@H](C(=O)OC)C1 ZINC000509380910 1075357132 /nfs/dbraw/zinc/35/71/32/1075357132.db2.gz RLMZGTOWXFOSLW-AOIWGVFYSA-N 0 3 420.481 1.991 20 0 HDADHN Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000731465683 1075357268 /nfs/dbraw/zinc/35/72/68/1075357268.db2.gz LOMQTXULFGIEBM-KRWDZBQOSA-N 0 3 420.517 1.897 20 0 HDADHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)C2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000731465671 1075357293 /nfs/dbraw/zinc/35/72/93/1075357293.db2.gz KZUIMGURPSTBEZ-GOSISDBHSA-N 0 3 405.506 1.860 20 0 HDADHN COc1cc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)cc(OC)c1OCC(N)=O ZINC000731468184 1075358177 /nfs/dbraw/zinc/35/81/77/1075358177.db2.gz URZSCKJTHYXKTH-MRXNPFEDSA-N 0 3 413.474 1.701 20 0 HDADHN CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N1CCCN(C[C@@H]3CCCO3)CC1)C2=O ZINC000676113482 1075386625 /nfs/dbraw/zinc/38/66/25/1075386625.db2.gz SFTJFGWEROMSIA-JTSKRJEESA-N 0 3 420.554 1.591 20 0 HDADHN C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=CCN(C)CC1 ZINC000804093107 1075393775 /nfs/dbraw/zinc/39/37/75/1075393775.db2.gz XFCWSSIDKVPZRO-BHYGNILZSA-N 0 3 408.543 1.705 20 0 HDADHN COc1ccc(Cn2ccc(NC(=O)C(=O)N(CCN(C)C)C3CCCC3)n2)cc1 ZINC000429807612 1075394121 /nfs/dbraw/zinc/39/41/21/1075394121.db2.gz VJERJRAKOMTSCF-UHFFFAOYSA-N 0 3 413.522 2.211 20 0 HDADHN COc1ccc(Cn2ccc(NC(=O)NCCN3CCN(C)C(C)(C)C3)n2)cc1 ZINC000441749351 1075410067 /nfs/dbraw/zinc/41/00/67/1075410067.db2.gz KFENVAQFXWDIIX-UHFFFAOYSA-N 0 3 400.527 2.088 20 0 HDADHN COC(=O)[C@H]1CCN(CC(=O)NCc2ccccc2CN2CCOCC2)[C@H]1C(C)C ZINC000429404869 1075429012 /nfs/dbraw/zinc/42/90/12/1075429012.db2.gz VKAFFOLHEXADLE-UNMCSNQZSA-N 0 3 417.550 1.655 20 0 HDADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000676194015 1075430964 /nfs/dbraw/zinc/43/09/64/1075430964.db2.gz YPQYPWLFNFJWCM-UHFFFAOYSA-N 0 3 409.483 1.442 20 0 HDADHN CCc1c(NC(=O)NCCCCN2CCN(CCO)CC2)cnn1-c1ccccc1 ZINC000466718790 1075433359 /nfs/dbraw/zinc/43/33/59/1075433359.db2.gz PENOQZLJFOUGNB-UHFFFAOYSA-N 0 3 414.554 1.946 20 0 HDADHN NC(=O)c1csc(CN[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1 ZINC000676200072 1075434026 /nfs/dbraw/zinc/43/40/26/1075434026.db2.gz YYBWTOCQTJOVPX-HNNXBMFYSA-N 0 3 402.524 1.232 20 0 HDADHN NC(=O)c1csc(CN[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1 ZINC000676200073 1075434101 /nfs/dbraw/zinc/43/41/01/1075434101.db2.gz YYBWTOCQTJOVPX-OAHLLOKOSA-N 0 3 402.524 1.232 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)N[C@@H](C)[C@H]3CN(C)CCO3)cc2)CC1 ZINC000676243096 1075444144 /nfs/dbraw/zinc/44/41/44/1075444144.db2.gz IKHMWYKDJSYDNX-GHTZIAJQSA-N 0 3 403.571 1.342 20 0 HDADHN O=C(NCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccn[nH]1 ZINC000509395065 1075464404 /nfs/dbraw/zinc/46/44/04/1075464404.db2.gz UHHQUIAIIPBSNF-SFHVURJKSA-N 0 3 409.412 1.710 20 0 HDADHN C[C@@H](NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1CN(C)CCO1 ZINC000676281205 1075487221 /nfs/dbraw/zinc/48/72/21/1075487221.db2.gz VIZBUMHBQRNIJG-APWZRJJASA-N 0 3 420.579 1.052 20 0 HDADHN C[C@H](NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1CN(C)CCO1 ZINC000676281207 1075487235 /nfs/dbraw/zinc/48/72/35/1075487235.db2.gz VIZBUMHBQRNIJG-LPHOPBHVSA-N 0 3 420.579 1.052 20 0 HDADHN CC(C)NS(=O)(=O)NCCN[C@H](C)c1ccc(I)cc1 ZINC000429419686 1075491004 /nfs/dbraw/zinc/49/10/04/1075491004.db2.gz ADMZJQDTNOAQNV-LLVKDONJSA-N 0 3 411.309 1.774 20 0 HDADHN COC(=O)c1ccsc1N1CC[C@@H](N2CCN(CC3CCOCC3)CC2)C1=O ZINC000466726995 1075504425 /nfs/dbraw/zinc/50/44/25/1075504425.db2.gz AQYWCFWBIULVJO-QGZVFWFLSA-N 0 3 407.536 1.684 20 0 HDADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000731754703 1075511851 /nfs/dbraw/zinc/51/18/51/1075511851.db2.gz AHUBOKSWIZLKOA-GJZGRUSLSA-N 0 3 412.487 1.350 20 0 HDADHN O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NC1CCN([C@H]2CCOC2)CC1 ZINC000676340788 1075514004 /nfs/dbraw/zinc/51/40/04/1075514004.db2.gz HKUYYLHYSNZWJN-INIZCTEOSA-N 0 3 400.479 1.121 20 0 HDADHN COCCOc1cn(-c2ccccc2)nc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676343287 1075516728 /nfs/dbraw/zinc/51/67/28/1075516728.db2.gz OCQGAUCGBLGEBC-LJQANCHMSA-N 0 3 414.506 1.881 20 0 HDADHN CN(CC(=O)NC1CCN([C@@H]2CCOC2)CC1)C(=O)c1ccc(Br)o1 ZINC000676343967 1075517047 /nfs/dbraw/zinc/51/70/47/1075517047.db2.gz DQUPOYZDHMYRPO-CYBMUJFWSA-N 0 3 414.300 1.484 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000676343483 1075517465 /nfs/dbraw/zinc/51/74/65/1075517465.db2.gz QYQXOQKUAAQYNV-ROUUACIJSA-N 0 3 415.490 1.389 20 0 HDADHN O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000676345177 1075517850 /nfs/dbraw/zinc/51/78/50/1075517850.db2.gz LRHFYXUSZALGSM-GHTZIAJQSA-N 0 3 417.525 1.976 20 0 HDADHN CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NC1CCN([C@@H]3CCOC3)CC1)C2=O ZINC000676345119 1075517881 /nfs/dbraw/zinc/51/78/81/1075517881.db2.gz WMQHCFOUNNPIBG-IERDGZPVSA-N 0 3 406.527 1.247 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)CC1 ZINC000676370425 1075536452 /nfs/dbraw/zinc/53/64/52/1075536452.db2.gz GZRVCACQBCKHLT-SFHVURJKSA-N 0 3 410.474 1.831 20 0 HDADHN O=C1C[C@@H](NCc2ccc(OC[C@@H]3CCCO3)cc2)CN1CCN1CCOCC1 ZINC000676418736 1075549090 /nfs/dbraw/zinc/54/90/90/1075549090.db2.gz ODNQUAPSHHZLKD-CTNGQTDRSA-N 0 3 403.523 1.267 20 0 HDADHN CN(CCCN1CCN(C)CC1)C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000731885855 1075555816 /nfs/dbraw/zinc/55/58/16/1075555816.db2.gz YFIHLCWIXQHWGQ-UHFFFAOYSA-N 0 3 403.502 1.400 20 0 HDADHN C[C@@H](CC(=O)N1CCN(C2CCCC2)CC1)NS(=O)(=O)c1cccnc1Cl ZINC000731895367 1075560197 /nfs/dbraw/zinc/56/01/97/1075560197.db2.gz PBILFTHVBALPEZ-AWEZNQCLSA-N 0 3 414.959 1.879 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000731900274 1075562546 /nfs/dbraw/zinc/56/25/46/1075562546.db2.gz MQOMBSHZXFZQGW-OAHLLOKOSA-N 0 3 409.918 1.509 20 0 HDADHN CN(C)CCN1C[C@@H](C(=O)N2CCc3sc(Br)cc3C2)CC1=O ZINC000676478818 1075565993 /nfs/dbraw/zinc/56/59/93/1075565993.db2.gz MJKPMDDDQSSIRD-LBPRGKRZSA-N 0 3 400.342 1.805 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCCn2c(C)nc3ccccc32)CC1 ZINC000509422744 1075597701 /nfs/dbraw/zinc/59/77/01/1075597701.db2.gz SYORRTYLWPTAPU-UHFFFAOYSA-N 0 3 414.554 1.930 20 0 HDADHN CN1CCN(CCCCNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1 ZINC000676617059 1075617563 /nfs/dbraw/zinc/61/75/63/1075617563.db2.gz BUKZXTJVEZRPKQ-UHFFFAOYSA-N 0 3 408.453 1.514 20 0 HDADHN CN(C)C1(CNC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)Cc2ccccc2C1 ZINC000804181512 1075619866 /nfs/dbraw/zinc/61/98/66/1075619866.db2.gz KQAPGBUGIUKGCN-UHFFFAOYSA-N 0 3 418.538 1.185 20 0 HDADHN NS(=O)(=O)c1cc(C(=O)N2CCC[C@H](N3CCCC3)C2)sc1Br ZINC000732085614 1075620444 /nfs/dbraw/zinc/62/04/44/1075620444.db2.gz REMLYDUZXQUUIK-JTQLQIEISA-N 0 3 422.370 1.858 20 0 HDADHN COc1ccccc1Nc1nc(N)nc(CN2CCCN(C[C@@H]3CCCO3)CC2)n1 ZINC000606437486 1075640913 /nfs/dbraw/zinc/64/09/13/1075640913.db2.gz UUMYKHOKFYVKKF-INIZCTEOSA-N 0 3 413.526 1.315 20 0 HDADHN CCc1ccccc1Nc1nc(N)nc(CN2CCCN(C[C@@H]3CCCO3)CC2)n1 ZINC000606436315 1075684271 /nfs/dbraw/zinc/68/42/71/1075684271.db2.gz AAOHIWBVSYGWFE-SFHVURJKSA-N 0 3 411.554 1.868 20 0 HDADHN Cc1nc(CN2CCC(CNC(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)oc1C ZINC000732257543 1075688721 /nfs/dbraw/zinc/68/87/21/1075688721.db2.gz SATGTFFFDUYXNG-RBUKOAKNSA-N 0 3 405.543 1.666 20 0 HDADHN CCO[C@@H]1C[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)C12CCCCC2 ZINC000429464434 1075693045 /nfs/dbraw/zinc/69/30/45/1075693045.db2.gz VXUYCXIUPGQNCP-VQTJNVASSA-N 0 3 410.603 1.804 20 0 HDADHN CC(C)N1CCN(c2ccc(C(=O)O[C@@H]3CCN(c4cnn(C)c4)C3=O)cc2)CC1 ZINC000732336469 1075708103 /nfs/dbraw/zinc/70/81/03/1075708103.db2.gz WJQMVSIQFDGQEJ-HXUWFJFHSA-N 0 3 411.506 1.913 20 0 HDADHN O=C(NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000509258033 1075734326 /nfs/dbraw/zinc/73/43/26/1075734326.db2.gz WWESPPRKXIXOAM-HOTGVXAUSA-N 0 3 410.565 1.414 20 0 HDADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000575436217 1075754675 /nfs/dbraw/zinc/75/46/75/1075754675.db2.gz MSZQHHPOEFGTIX-CQSZACIVSA-N 0 3 415.460 2.009 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000509266091 1075757392 /nfs/dbraw/zinc/75/73/92/1075757392.db2.gz XRKSWZWHLMJVSD-UHFFFAOYSA-N 0 3 419.526 1.080 20 0 HDADHN CN1CCN(CC2(C)CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)CC1 ZINC000543689893 1075768734 /nfs/dbraw/zinc/76/87/34/1075768734.db2.gz PEVHVXYQULTBIV-UHFFFAOYSA-N 0 3 407.540 1.307 20 0 HDADHN O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)[C@H]1CN2CCN1CCC2 ZINC000486824595 1075790348 /nfs/dbraw/zinc/79/03/48/1075790348.db2.gz GWCRBLSAKPLDCT-HZPDHXFCSA-N 0 3 412.412 1.197 20 0 HDADHN CC(C)[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1nncn1C ZINC000509274682 1075793037 /nfs/dbraw/zinc/79/30/37/1075793037.db2.gz RUYTXIZNZUJXEW-FHWLQOOXSA-N 0 3 400.527 1.694 20 0 HDADHN CSC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000429279363 1075796240 /nfs/dbraw/zinc/79/62/40/1075796240.db2.gz LHTAGTYUDIJBDJ-KRWDZBQOSA-N 0 3 411.593 1.595 20 0 HDADHN CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@@H](NC2CCS(=O)(=O)CC2)C1=O ZINC000463282169 1075801981 /nfs/dbraw/zinc/80/19/81/1075801981.db2.gz QMEGPCLXDMAJGL-QZTJIDSGSA-N 0 3 422.547 1.837 20 0 HDADHN C[C@@H]1CN(C[C@@H](O)CN(CCO)Cc2cccc(Br)c2)C[C@H](C)O1 ZINC000488195574 1075806514 /nfs/dbraw/zinc/80/65/14/1075806514.db2.gz FPFLMTHFBIHHRQ-DAYGRLMNSA-N 0 3 401.345 1.714 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccccc2Cn2ccnc2)CC1 ZINC000509280042 1075815400 /nfs/dbraw/zinc/81/54/00/1075815400.db2.gz USSQPTWETFLLLX-UHFFFAOYSA-N 0 3 412.538 1.627 20 0 HDADHN NC(=O)CCn1ccc(NC(=O)Nc2ccc(CCN3CCSCC3)cc2)n1 ZINC000483895007 1075832329 /nfs/dbraw/zinc/83/23/29/1075832329.db2.gz HGGNFGVHWBJFKG-UHFFFAOYSA-N 0 3 402.524 1.994 20 0 HDADHN CC(C)Oc1ccc(NC(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)nn1 ZINC000571065251 1075858884 /nfs/dbraw/zinc/85/88/84/1075858884.db2.gz AOTVBKPWMXVJSY-UHFFFAOYSA-N 0 3 403.527 2.365 20 0 HDADHN COC(=O)c1cccc(S(=O)(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)c1 ZINC000611167711 1075865979 /nfs/dbraw/zinc/86/59/79/1075865979.db2.gz DQTDPUCKRNZJGZ-UHFFFAOYSA-N 0 3 409.552 1.652 20 0 HDADHN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000611244251 1075885495 /nfs/dbraw/zinc/88/54/95/1075885495.db2.gz NCBNOXYDXLVGRF-HNAYVOBHSA-N 0 3 416.522 1.523 20 0 HDADHN COC(=O)C(C)(C)[C@@H]1CCCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000611321433 1075900158 /nfs/dbraw/zinc/90/01/58/1075900158.db2.gz PBQXPNUMWUNDRU-IAGOWNOFSA-N 0 3 403.479 1.775 20 0 HDADHN COC(=O)C(C)(C)[C@@H]1CCCN([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000611322298 1075900536 /nfs/dbraw/zinc/90/05/36/1075900536.db2.gz PPUJFEPFHQILGG-DLBZAZTESA-N 0 3 403.527 1.425 20 0 HDADHN C[C@@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000766186565 1075925060 /nfs/dbraw/zinc/92/50/60/1075925060.db2.gz XMQZGEPBEQXNTI-AUUYWEPGSA-N 0 3 404.492 1.876 20 0 HDADHN CC1CCN([C@H](CNC(=O)N(CCO)CCN2CCOCC2)c2cccs2)CC1 ZINC000489809160 1075932517 /nfs/dbraw/zinc/93/25/17/1075932517.db2.gz OAAJIVVPHXLUIH-LJQANCHMSA-N 0 3 424.611 1.857 20 0 HDADHN COc1ccc([C@H](CNC(=O)N(CCO)CCN2CCOCC2)N2CCCC2)cc1 ZINC000489835446 1075934227 /nfs/dbraw/zinc/93/42/27/1075934227.db2.gz JCMRRXHHTRSYBL-NRFANRHFSA-N 0 3 420.554 1.168 20 0 HDADHN Cc1cc(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)ccc1N1C(=O)CCC1=O ZINC000733048840 1075954529 /nfs/dbraw/zinc/95/45/29/1075954529.db2.gz PQLQEBYNUIQPJR-HOCLYGCPSA-N 0 3 414.506 1.824 20 0 HDADHN Cc1cc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@@H]2C)ccc1N1C(=O)CCC1=O ZINC000733049616 1075955479 /nfs/dbraw/zinc/95/54/79/1075955479.db2.gz VJSSSUHUSNGEPZ-IYBDPMFKSA-N 0 3 414.506 1.966 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC000733143021 1075975409 /nfs/dbraw/zinc/97/54/09/1075975409.db2.gz BXTAEJRDDBQQCH-LVZGSSTFSA-N 0 3 406.486 1.832 20 0 HDADHN CN(CCCN1CCN(C)CC1)C(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000733155538 1075988858 /nfs/dbraw/zinc/98/88/58/1075988858.db2.gz TUKFYXBJANSKJU-PYCFMQQDSA-N 0 3 421.545 1.948 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000733158364 1075991423 /nfs/dbraw/zinc/99/14/23/1075991423.db2.gz IIDXZKNKASDOLU-CZUORRHYSA-N 0 3 408.490 1.734 20 0 HDADHN Cn1c(=O)cc(CN2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)n(C)c1=O ZINC000493629347 1075992056 /nfs/dbraw/zinc/99/20/56/1075992056.db2.gz ARHVXXJNSXTQLJ-GFCCVEGCSA-N 0 3 422.411 1.525 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000733159311 1075993225 /nfs/dbraw/zinc/99/32/25/1075993225.db2.gz OHXAFWXUOMHWOF-QZMYASAMSA-N 0 3 421.545 1.995 20 0 HDADHN CC(C)[C@@H](C[NH+](C)C)NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000733166905 1075998508 /nfs/dbraw/zinc/99/85/08/1075998508.db2.gz SYKGHMDEXYHZQR-SNVBAGLBSA-N 0 3 412.375 1.491 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)CN2C(=S)N=NC2c2cccc(C)c2)CC1 ZINC000733169567 1076000179 /nfs/dbraw/zinc/00/01/79/1076000179.db2.gz CARCWBLRDHTJQH-KRWDZBQOSA-N 0 3 416.595 1.932 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)CC1 ZINC000733170021 1076000217 /nfs/dbraw/zinc/00/02/17/1076000217.db2.gz IRFPEHZTEPKQOJ-MRXNPFEDSA-N 0 3 412.556 1.068 20 0 HDADHN CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)CN(C)C1CCC1 ZINC001081103188 1076002236 /nfs/dbraw/zinc/00/22/36/1076002236.db2.gz LGSOSAKFISGDMD-JRHPMUGDSA-N 0 3 403.567 1.981 20 0 HDADHN C[C@@H]1C[C@@H](c2ccccc2)N(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000513261352 1076004830 /nfs/dbraw/zinc/00/48/30/1076004830.db2.gz MZDXGVQHDMUHMS-CTNGQTDRSA-N 0 3 414.550 1.073 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc2)CC1 ZINC000733310533 1076036142 /nfs/dbraw/zinc/03/61/42/1076036142.db2.gz CBWPRKFUZNENKL-IAGOWNOFSA-N 0 3 410.584 1.520 20 0 HDADHN S=c1n(CN2CCN(C3CCC3)CC2)nc(N2CCOCC2)n1C[C@H]1CCCO1 ZINC000733295602 1076041376 /nfs/dbraw/zinc/04/13/76/1076041376.db2.gz BJMTWDMQSHNVNB-GOSISDBHSA-N 0 3 422.599 1.557 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)c3cc(S(N)(=O)=O)cn3C)c(C)c2)CC1 ZINC000021465206 1076062865 /nfs/dbraw/zinc/06/28/65/1076062865.db2.gz RRPFMGCCHRCWRI-UHFFFAOYSA-N 0 3 405.524 1.375 20 0 HDADHN CC(C)NC(=O)CNC(=S)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000727277819 1076089309 /nfs/dbraw/zinc/08/93/09/1076089309.db2.gz QMEOCIHFLMUTEZ-GOSISDBHSA-N 0 3 418.611 1.315 20 0 HDADHN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000727375730 1076100593 /nfs/dbraw/zinc/10/05/93/1076100593.db2.gz UMCLIONUTLMSNK-RTWAWAEBSA-N 0 3 414.550 1.930 20 0 HDADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000733671903 1076154269 /nfs/dbraw/zinc/15/42/69/1076154269.db2.gz YZKIPIPALXUKKJ-QGZVFWFLSA-N 0 3 406.502 1.982 20 0 HDADHN CN1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 ZINC000685806707 1076212666 /nfs/dbraw/zinc/21/26/66/1076212666.db2.gz BVTYVJCTLRZLST-MSOLQXFVSA-N 0 3 407.923 1.832 20 0 HDADHN COCCN(C(C)=O)c1nc(COC(=O)C2CC[C@H](C(F)(F)F)NC2=O)cs1 ZINC000733821358 1076213879 /nfs/dbraw/zinc/21/38/79/1076213879.db2.gz MIRAATREWRPSBP-NWDGAFQWSA-N 0 3 423.413 1.643 20 0 HDADHN Cc1ccccc1CN1CCCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000727754911 1076229269 /nfs/dbraw/zinc/22/92/69/1076229269.db2.gz JUUQZASHPPNFIM-HXUWFJFHSA-N 0 3 414.531 1.759 20 0 HDADHN CNS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001299308880 1076241971 /nfs/dbraw/zinc/24/19/71/1076241971.db2.gz UWHKQHUZWARBOA-UHFFFAOYSA-N 0 3 420.583 1.723 20 0 HDADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)CC1=O ZINC000733890456 1076252014 /nfs/dbraw/zinc/25/20/14/1076252014.db2.gz IUXNOAVBVHTOLA-SJORKVTESA-N 0 3 410.559 1.502 20 0 HDADHN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000728024413 1076309125 /nfs/dbraw/zinc/30/91/25/1076309125.db2.gz MHHXTIPWZSDYBX-MISIWFIQSA-N 0 3 411.568 1.636 20 0 HDADHN Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CCC[C@H](C3OCCO3)C2)CC1 ZINC000728053531 1076320968 /nfs/dbraw/zinc/32/09/68/1076320968.db2.gz NUBWJDOQLHMDOA-SFHVURJKSA-N 0 3 415.534 1.801 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)N1CCCC[C@@H]1C ZINC000728137415 1076340635 /nfs/dbraw/zinc/34/06/35/1076340635.db2.gz XSJJDJFHKSAIPW-HOTGVXAUSA-N 0 3 406.502 1.980 20 0 HDADHN COCCN1CCC[C@H](NC(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)C1 ZINC000730035720 1076413659 /nfs/dbraw/zinc/41/36/59/1076413659.db2.gz CXQYHMSDJUFYLA-INIZCTEOSA-N 0 3 419.551 1.860 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000730127293 1076459048 /nfs/dbraw/zinc/45/90/48/1076459048.db2.gz NRGFDCGEKPONPL-HZPDHXFCSA-N 0 3 411.547 1.238 20 0 HDADHN CC(=O)N1CCN(C(=O)[C@H](C)N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC000730264018 1076504558 /nfs/dbraw/zinc/50/45/58/1076504558.db2.gz KMYCFQYNQHDEFU-HOTGVXAUSA-N 0 3 410.559 1.691 20 0 HDADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1c(F)cccc1-n1cccn1 ZINC000730389206 1076568347 /nfs/dbraw/zinc/56/83/47/1076568347.db2.gz NRNSXPARNRMJTQ-HNNXBMFYSA-N 0 3 403.458 1.519 20 0 HDADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000730391997 1076572679 /nfs/dbraw/zinc/57/26/79/1076572679.db2.gz TXUOWIYHJMOIIT-HNNXBMFYSA-N 0 3 420.510 1.821 20 0 HDADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000730391998 1076572821 /nfs/dbraw/zinc/57/28/21/1076572821.db2.gz TXUOWIYHJMOIIT-OAHLLOKOSA-N 0 3 420.510 1.821 20 0 HDADHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000730547819 1076598974 /nfs/dbraw/zinc/59/89/74/1076598974.db2.gz ICIRQRIQUUQWCL-UHFFFAOYSA-N 0 3 406.508 1.663 20 0 HDADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)CNc1ccc(S(C)(=O)=O)cc1 ZINC001545677861 1076641800 /nfs/dbraw/zinc/64/18/00/1076641800.db2.gz IYGVCGUYJWRPTP-UHFFFAOYSA-N 0 3 405.520 1.798 20 0 HDADHN NC(CCN1CCN(Cc2ccccc2)CC1)=NOCC(=O)NCC(F)(F)F ZINC000731029046 1076708824 /nfs/dbraw/zinc/70/88/24/1076708824.db2.gz NRVAZXANJNVWDZ-UHFFFAOYSA-N 0 3 401.433 1.371 20 0 HDADHN O=C(Nc1cc2c(cc1Br)OCCO2)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000731133729 1076736614 /nfs/dbraw/zinc/73/66/14/1076736614.db2.gz BDOUYRJDQMLNKW-LBPRGKRZSA-N 0 3 424.295 1.759 20 0 HDADHN Cc1c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)nnn1-c1ccc(OC(F)F)cc1 ZINC000731188697 1076742004 /nfs/dbraw/zinc/74/20/04/1076742004.db2.gz JFJSCEHKNXKMKE-GDBMZVCRSA-N 0 3 407.421 1.770 20 0 HDADHN O=S(=O)(c1ccccc1CN[C@H](CO)Cc1ccc(F)cc1)N1CCOCC1 ZINC000480503632 1126094901 /nfs/dbraw/zinc/09/49/01/1126094901.db2.gz ZDHFCRNJPSAELZ-IBGZPJMESA-N 0 3 408.495 1.540 20 0 HDADHN CN(C)Cc1ccnc(N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)c1 ZINC001164639750 719259477 /nfs/dbraw/zinc/25/94/77/719259477.db2.gz RFSLIMKFLCSVNY-UHFFFAOYSA-N 0 3 413.526 1.284 20 0 HDADHN CC(C)N(C)Cc1nn(-c2[nH]cnc3ncc(S(C)(=O)=O)c2-3)c2c1CCNC2 ZINC001164683507 719615119 /nfs/dbraw/zinc/61/51/19/719615119.db2.gz JKRVZXSNCSXYEI-UHFFFAOYSA-N 0 3 403.512 1.033 20 0 HDADHN CCN(CC)S(=O)(=O)c1ccc(N2CCC3(CCCN3CC(=O)NC)CC2)nc1 ZINC001164689322 719739459 /nfs/dbraw/zinc/73/94/59/719739459.db2.gz AUHDCXWWAHEAFV-UHFFFAOYSA-N 0 3 423.583 1.293 20 0 HDADHN CNC(=O)CN1CCCC12CCN(c1ncnc(Cl)c1[C@@H](C)C(=O)OC)CC2 ZINC001164692016 719755565 /nfs/dbraw/zinc/75/55/65/719755565.db2.gz QXFIWOXZOUGAJS-CYBMUJFWSA-N 0 3 409.918 1.587 20 0 HDADHN O=C(Nc1cnccn1)[C@@H]1COC[C@@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@@H]21 ZINC001164700764 719884181 /nfs/dbraw/zinc/88/41/81/719884181.db2.gz KZQXMQHWYHTJCO-GBESFXJTSA-N 0 3 408.506 1.805 20 0 HDADHN O=C(Nc1cnccn1)[C@@H]1COC[C@@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]21 ZINC001164698274 719885170 /nfs/dbraw/zinc/88/51/70/719885170.db2.gz FAPOSXFYSGCNDI-GBESFXJTSA-N 0 3 408.506 1.805 20 0 HDADHN O=C([C@@H]1COC[C@@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]21)N1CCCCO1 ZINC001164704194 719921667 /nfs/dbraw/zinc/92/16/67/719921667.db2.gz OVVNMJKBMSLFDS-XUVXKRRUSA-N 0 3 400.523 1.930 20 0 HDADHN COC[C@H]1CN(CC2CC2)C[C@]12CCN(c1cc(OC)nc(S(C)(=O)=O)n1)C2 ZINC001164809966 720119398 /nfs/dbraw/zinc/11/93/98/720119398.db2.gz IZVCUJYXYIROSD-BEFAXECRSA-N 0 3 410.540 1.073 20 0 HDADHN CNC(=O)CN1CCOC[C@@]2(CCCN(c3ccc(CN(C)C4CC4)cn3)C2)C1 ZINC001164723711 720294813 /nfs/dbraw/zinc/29/48/13/720294813.db2.gz XBIHLXPMVQGHMX-QFIPXVFZSA-N 0 3 401.555 1.341 20 0 HDADHN COC(=O)c1ccc2cnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2c1 ZINC001164744976 720634625 /nfs/dbraw/zinc/63/46/25/720634625.db2.gz SUKWNPRGQMBZFZ-IAGOWNOFSA-N 0 3 406.446 1.548 20 0 HDADHN COc1cc2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c(OC)c1 ZINC001164738477 720710825 /nfs/dbraw/zinc/71/08/25/720710825.db2.gz JYQPUCBVBUNJOK-GOEBONIOSA-N 0 3 408.462 1.779 20 0 HDADHN Cc1cc(NC(=O)c2cccnc2N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)no1 ZINC001164743426 720755845 /nfs/dbraw/zinc/75/58/45/720755845.db2.gz QBZBCVIGIAJPHJ-HOTGVXAUSA-N 0 3 421.461 1.762 20 0 HDADHN C[C@H]1CCCN1C(=O)c1nn(-c2ccc(CN3CCOCC3)cn2)c2c1CNCC2 ZINC001164846658 720805663 /nfs/dbraw/zinc/80/56/63/720805663.db2.gz JQPLOANKDUJHPV-INIZCTEOSA-N 0 3 410.522 1.370 20 0 HDADHN O=C1COC2(CCN(c3ncccc3CN3CCCC3)CC2)CN1c1cncnc1 ZINC001164861972 721038388 /nfs/dbraw/zinc/03/83/88/721038388.db2.gz IYWSRPAOGZVUFW-UHFFFAOYSA-N 0 3 408.506 1.870 20 0 HDADHN O=C1NCc2c1c(N1CCN3C[C@H](OCc4cccnc4)C[C@@H]3C1)nc(Cl)c2F ZINC001164865617 721099390 /nfs/dbraw/zinc/09/93/90/721099390.db2.gz NMQOYRSCECPXRH-ZIAGYGMSSA-N 0 3 417.872 1.992 20 0 HDADHN COC(=O)c1nc2cnccc2c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865232 721102579 /nfs/dbraw/zinc/10/25/79/721102579.db2.gz JQVQDWZYJDKHQC-IAGOWNOFSA-N 0 3 420.473 1.686 20 0 HDADHN O=c1ccccn1-c1nccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164875477 721155993 /nfs/dbraw/zinc/15/59/93/721155993.db2.gz LRCDFYHCOHNCEO-MOPGFXCFSA-N 0 3 404.474 1.502 20 0 HDADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(CN5C(=O)CCC5=O)cn4)C[C@H]3C2)cn1 ZINC001164764307 721164543 /nfs/dbraw/zinc/16/45/43/721164543.db2.gz GZZSIYOBHSYUJQ-RBUKOAKNSA-N 0 3 408.506 1.422 20 0 HDADHN CCNC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867458 721194828 /nfs/dbraw/zinc/19/48/28/721194828.db2.gz GHKJTQPFWLYJMM-CVEARBPZSA-N 0 3 416.913 1.754 20 0 HDADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(S(=O)(=O)NC5CC5)cn4)C[C@@H]3C2)cn1 ZINC001164767558 721203338 /nfs/dbraw/zinc/20/33/38/721203338.db2.gz JZLULYFLXSZXRS-SJORKVTESA-N 0 3 416.551 1.214 20 0 HDADHN CN(Cc1ccc(N2C[C@H]3COC[C@@]3(COCC(=O)N3CCCC3)C2)nc1)C1CC1 ZINC001164882485 721337928 /nfs/dbraw/zinc/33/79/28/721337928.db2.gz FHNXQZWZDOYQFF-WMZHIEFXSA-N 0 3 414.550 1.768 20 0 HDADHN CN(Cc1ccc(N2C[C@@H]3COC[C@@]3(COCC(=O)N3CCCC3)C2)nc1)C1CC1 ZINC001164882483 721338198 /nfs/dbraw/zinc/33/81/98/721338198.db2.gz FHNXQZWZDOYQFF-AUSIDOKSSA-N 0 3 414.550 1.768 20 0 HDADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5nc[nH]c54)C3)O2)CC1 ZINC001164886768 721382284 /nfs/dbraw/zinc/38/22/84/721382284.db2.gz GDXNILMHEHFHIL-KUHUBIRLSA-N 0 3 405.934 1.772 20 0 HDADHN CCOC(=O)Cc1cccnc1N1CC[C@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164884967 721390340 /nfs/dbraw/zinc/39/03/40/721390340.db2.gz BEYSDCUSHDAFPR-OFNKIYASSA-N 0 3 416.566 1.953 20 0 HDADHN CNS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164906897 721552639 /nfs/dbraw/zinc/55/26/39/721552639.db2.gz LJQBAOHGRASTBG-DOTOQJQBSA-N 0 3 406.483 1.471 20 0 HDADHN COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001165009252 721731653 /nfs/dbraw/zinc/73/16/53/721731653.db2.gz VYFXXQKPBZKNOT-UHFFFAOYSA-N 0 3 400.483 1.219 20 0 HDADHN Cn1cc(C(=O)N[C@@H]2CN(c3ncccc3CN3CCCC3)[C@@H]3CCCO[C@H]23)cn1 ZINC001165013513 721758443 /nfs/dbraw/zinc/75/84/43/721758443.db2.gz MZYQNGWAJNNPRZ-VAMGGRTRSA-N 0 3 410.522 1.577 20 0 HDADHN CN(Cc1ccc(N2CCC[C@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)nc1)C1CC1 ZINC001165023737 721777520 /nfs/dbraw/zinc/77/75/20/721777520.db2.gz UNHANGASDHNGIB-NZQKXSOJSA-N 0 3 414.550 1.910 20 0 HDADHN CN(Cc1ccc(N2CC[C@@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)nc1)C1CC1 ZINC001164958368 722032074 /nfs/dbraw/zinc/03/20/74/722032074.db2.gz OQUXEUZJXUNYJE-CEWLAPEOSA-N 0 3 424.549 1.681 20 0 HDADHN O=C1COc2nc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)ccc2N1 ZINC001164964589 722055736 /nfs/dbraw/zinc/05/57/36/722055736.db2.gz VWPKJJZQMDTUEA-UHFFFAOYSA-N 0 3 409.490 1.927 20 0 HDADHN CON(C)C(=O)c1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164978936 722148858 /nfs/dbraw/zinc/14/88/58/722148858.db2.gz LCDQANCKPPHASV-VQTJNVASSA-N 0 3 411.506 1.837 20 0 HDADHN Cc1nc(CN2CCO[C@@H]3CCN(c4cc5c(nn4)CCNC5)CC[C@@H]32)cs1 ZINC001164986950 722184126 /nfs/dbraw/zinc/18/41/26/722184126.db2.gz GHUUOVRWNQASPB-RBUKOAKNSA-N 0 3 400.552 1.757 20 0 HDADHN CN(C)Cc1ccnc(N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)c1 ZINC001165006524 722241941 /nfs/dbraw/zinc/24/19/41/722241941.db2.gz ZIIZIHDJRJIENK-QGZVFWFLSA-N 0 3 406.494 1.196 20 0 HDADHN Cc1ccc(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)cc1S(N)(=O)=O ZINC000673639264 1073468328 /nfs/dbraw/zinc/46/83/28/1073468328.db2.gz GFIJJZNFXOHWTR-UHFFFAOYSA-N 0 3 416.547 1.320 20 0 HDADHN COC(=O)Cn1cc(CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)nn1 ZINC000429071966 1073514484 /nfs/dbraw/zinc/51/44/84/1073514484.db2.gz SMIWPPKLLGZZSM-UHFFFAOYSA-N 0 3 400.483 1.087 20 0 HDADHN O=C(NCc1cccc(C(=O)N2CCOCC2)c1)NC[C@@H]1CCCCN1C1CC1 ZINC000429104101 1073588931 /nfs/dbraw/zinc/58/89/31/1073588931.db2.gz PCJKRGDIMKVZGB-FQEVSTJZSA-N 0 3 400.523 1.975 20 0 HDADHN Cc1cccc(N2CCN(CCC(=O)N3CCN([C@@H]4CCC[C@@H]4O)CC3)CC2)c1 ZINC000673661577 1073615607 /nfs/dbraw/zinc/61/56/07/1073615607.db2.gz INFFSGPLSRTXRW-YADHBBJMSA-N 0 3 400.567 1.565 20 0 HDADHN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000673672476 1073626693 /nfs/dbraw/zinc/62/66/93/1073626693.db2.gz ICOQYMUFYQWJDW-YADHBBJMSA-N 0 3 400.567 1.564 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000673758735 1073698389 /nfs/dbraw/zinc/69/83/89/1073698389.db2.gz SIEJWRLHOIGARG-QGZVFWFLSA-N 0 3 416.547 1.869 20 0 HDADHN Cc1cccn2cc(CCNC(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)nc12 ZINC000673772934 1073706385 /nfs/dbraw/zinc/70/63/85/1073706385.db2.gz LIYWDQNGLULINN-GOSISDBHSA-N 0 3 400.527 1.427 20 0 HDADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000429130342 1073712400 /nfs/dbraw/zinc/71/24/00/1073712400.db2.gz HCBWUCPNBCZZGF-HNNXBMFYSA-N 0 3 417.959 1.996 20 0 HDADHN CC[C@H](NCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)[C@@H]1CCCO1 ZINC000543494947 1073831922 /nfs/dbraw/zinc/83/19/22/1073831922.db2.gz SLSLPNURWLYUSB-HKUYNNGSSA-N 0 3 409.552 1.763 20 0 HDADHN CC(C)OCCN1CCC(NC(=O)NCC2(NS(C)(=O)=O)CCCCC2)CC1 ZINC000673876872 1073835032 /nfs/dbraw/zinc/83/50/32/1073835032.db2.gz YVBBZOSOTWQZCY-UHFFFAOYSA-N 0 3 418.604 1.427 20 0 HDADHN CC(C)OCCN1CCC(NC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000673878125 1073849763 /nfs/dbraw/zinc/84/97/63/1073849763.db2.gz DBFXATHCQSCRJK-SFHVURJKSA-N 0 3 417.554 1.553 20 0 HDADHN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000030380537 1073928852 /nfs/dbraw/zinc/92/88/52/1073928852.db2.gz SWFLQXIWRBJOQP-IBGZPJMESA-N 0 3 423.579 1.803 20 0 HDADHN CNC(=O)N[C@H]1CCN(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000466594054 1074049195 /nfs/dbraw/zinc/04/91/95/1074049195.db2.gz WPNLUMKVDHYFCM-RBUKOAKNSA-N 0 3 402.543 1.078 20 0 HDADHN O=C(NC1CCN(c2cccnn2)CC1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000429196406 1074051891 /nfs/dbraw/zinc/05/18/91/1074051891.db2.gz GHFVNIPEMLVYBW-PZJWPPBQSA-N 0 3 424.549 1.628 20 0 HDADHN C[C@H](NCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)[C@H]1COc2ccccc21 ZINC000543555489 1074082536 /nfs/dbraw/zinc/08/25/36/1074082536.db2.gz TYVHXJLTFZZQJF-LSTDLKDCSA-N 0 3 422.547 1.335 20 0 HDADHN C[C@H](NCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)[C@H]1COc2ccccc21 ZINC000543555490 1074082556 /nfs/dbraw/zinc/08/25/56/1074082556.db2.gz TYVHXJLTFZZQJF-MJQMVNBJSA-N 0 3 422.547 1.335 20 0 HDADHN Nc1ccccc1S(=O)(=O)NCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000670457534 1074100071 /nfs/dbraw/zinc/10/00/71/1074100071.db2.gz JACOYMLUQFUELZ-KRWDZBQOSA-N 0 3 402.520 1.328 20 0 HDADHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)Cc1ccccc1 ZINC000543562015 1074119228 /nfs/dbraw/zinc/11/92/28/1074119228.db2.gz AYXGNMYDFGZROK-IBGZPJMESA-N 0 3 423.517 1.439 20 0 HDADHN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000674097977 1074181676 /nfs/dbraw/zinc/18/16/76/1074181676.db2.gz SMUCFXIKCLFTMI-UHFFFAOYSA-N 0 3 421.519 1.431 20 0 HDADHN Cc1ccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1S(N)(=O)=O ZINC000674097981 1074181800 /nfs/dbraw/zinc/18/18/00/1074181800.db2.gz SNMPTISZPYVNFV-UHFFFAOYSA-N 0 3 417.531 1.529 20 0 HDADHN C[C@@H](Sc1nc(CC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cs1)C(N)=O ZINC001128613441 1074184506 /nfs/dbraw/zinc/18/45/06/1074184506.db2.gz CGLYBQTUSKFFBT-QWHCGFSZSA-N 0 3 412.581 1.363 20 0 HDADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000674157508 1074195130 /nfs/dbraw/zinc/19/51/30/1074195130.db2.gz FVWIUOOSQFXQRW-OALUTQOASA-N 0 3 408.568 1.937 20 0 HDADHN CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000674192349 1074206651 /nfs/dbraw/zinc/20/66/51/1074206651.db2.gz ANRVMEZBXVFOII-QGZVFWFLSA-N 0 3 408.524 1.377 20 0 HDADHN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000674269490 1074250115 /nfs/dbraw/zinc/25/01/15/1074250115.db2.gz ICTSTMGDTHXCCI-INIZCTEOSA-N 0 3 402.495 1.326 20 0 HDADHN CSc1ccncc1NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000674270814 1074251066 /nfs/dbraw/zinc/25/10/66/1074251066.db2.gz JBNTWGYBICZXFX-SJORKVTESA-N 0 3 414.531 1.741 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 ZINC000674310915 1074268636 /nfs/dbraw/zinc/26/86/36/1074268636.db2.gz UUSVMUGFEPWVGB-RXVVDRJESA-N 0 3 421.538 1.943 20 0 HDADHN COC1CCN(CCNC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)CC1 ZINC000674310353 1074269069 /nfs/dbraw/zinc/26/90/69/1074269069.db2.gz FLDMJQHKONODCJ-UHFFFAOYSA-N 0 3 422.570 1.740 20 0 HDADHN COC1CCN(CCNC(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)CC1 ZINC000674314230 1074269581 /nfs/dbraw/zinc/26/95/81/1074269581.db2.gz CSIHRKNQNRIZJR-UHFFFAOYSA-N 0 3 412.556 1.948 20 0 HDADHN COC1CCN(CCNC(=O)C2CCN(C(=O)COc3ccccc3)CC2)CC1 ZINC000674324277 1074274754 /nfs/dbraw/zinc/27/47/54/1074274754.db2.gz BZPLYESWFQULEB-UHFFFAOYSA-N 0 3 403.523 1.531 20 0 HDADHN COC1CCN(CCNC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000674329376 1074285227 /nfs/dbraw/zinc/28/52/27/1074285227.db2.gz XGYXILYYIQJTKV-CALCHBBNSA-N 0 3 405.543 1.605 20 0 HDADHN COC1CCN(CCNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1 ZINC000674329377 1074285294 /nfs/dbraw/zinc/28/52/94/1074285294.db2.gz XGYXILYYIQJTKV-IAGOWNOFSA-N 0 3 405.543 1.605 20 0 HDADHN C[C@H](CNC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)N(C)Cc1ccccc1 ZINC000674432029 1074342666 /nfs/dbraw/zinc/34/26/66/1074342666.db2.gz GEQWKDKXGNHVPG-CEQIKUNHSA-N 0 3 401.511 1.527 20 0 HDADHN CCN1C(=O)[C@@H]2CN(CCC(=O)Nc3cc(OC)c(OC)c(OC)c3)CCN2C1=O ZINC000674501284 1074394546 /nfs/dbraw/zinc/39/45/46/1074394546.db2.gz JMYXODKFPMKFPS-AWEZNQCLSA-N 0 3 420.466 1.009 20 0 HDADHN CC[C@H](CNS(C)(=O)=O)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001273134449 1074418899 /nfs/dbraw/zinc/41/88/99/1074418899.db2.gz RGKULZKDZZULCN-NVXWUHKLSA-N 0 3 421.485 1.885 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1=O ZINC000674583188 1074448531 /nfs/dbraw/zinc/44/85/31/1074448531.db2.gz JPLKPXQSAWFEET-HOIFWPIMSA-N 0 3 416.497 1.874 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)CCN2CCN(c3ccccc3)CC2)C1=O ZINC000674583908 1074464606 /nfs/dbraw/zinc/46/46/06/1074464606.db2.gz NCVPCRWCTCYABJ-JTSKRJEESA-N 0 3 413.522 1.035 20 0 HDADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000674588291 1074468393 /nfs/dbraw/zinc/46/83/93/1074468393.db2.gz BUWBPLTYLZXPSW-UHFFFAOYSA-N 0 3 402.476 1.608 20 0 HDADHN CCN1C(=O)[C@H]2CN(C(=O)CCN3CCN(c4cccc(C)c4)CC3)CCN2C1=O ZINC000674594638 1074473286 /nfs/dbraw/zinc/47/32/86/1074473286.db2.gz GGYHDBYHAUZXDM-LJQANCHMSA-N 0 3 413.522 1.002 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1=O ZINC000674617482 1074487128 /nfs/dbraw/zinc/48/71/28/1074487128.db2.gz ZBPFZYUEVGSWMT-SIFCLUCFSA-N 0 3 419.551 1.905 20 0 HDADHN CC[C@@H](NC(=O)N1CCCN(Cc2ccccc2C)CC1)C(=O)N1CCOCC1 ZINC000674647830 1074496592 /nfs/dbraw/zinc/49/65/92/1074496592.db2.gz YHUCSBAJAHKNAC-HXUWFJFHSA-N 0 3 402.539 1.850 20 0 HDADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000674639148 1074499319 /nfs/dbraw/zinc/49/93/19/1074499319.db2.gz PCFKLFUSOSQXAJ-HRAATJIYSA-N 0 3 419.501 1.619 20 0 HDADHN CN(C)CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000674640344 1074499555 /nfs/dbraw/zinc/49/95/55/1074499555.db2.gz DYSOJCVVFPNKMF-DYESRHJHSA-N 0 3 401.511 1.480 20 0 HDADHN C[C@@H]1CN(c2ccc(NC(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)cc2)CCO1 ZINC000766068459 1074561420 /nfs/dbraw/zinc/56/14/20/1074561420.db2.gz CBMQPLLTSKGBEI-YLJYHZDGSA-N 0 3 415.538 1.682 20 0 HDADHN C[C@H]1CN(c2ccc(NC(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)cc2)CCO1 ZINC000766068438 1074561519 /nfs/dbraw/zinc/56/15/19/1074561519.db2.gz CBMQPLLTSKGBEI-FXAWDEMLSA-N 0 3 415.538 1.682 20 0 HDADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000674808869 1074575254 /nfs/dbraw/zinc/57/52/54/1074575254.db2.gz KYIYUBAQZQOOBX-DLBZAZTESA-N 0 3 419.551 1.210 20 0 HDADHN CN1CCN(CCCNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)[C@@H](c2ccccc2)C1 ZINC000674916362 1074614049 /nfs/dbraw/zinc/61/40/49/1074614049.db2.gz BWRQYYDVNPGMMO-VSKRKVRLSA-N 0 3 416.566 1.955 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000674917453 1074614754 /nfs/dbraw/zinc/61/47/54/1074614754.db2.gz JTQZAWZDSLLPTD-FCHUYYIVSA-N 0 3 416.566 1.914 20 0 HDADHN O=C(CN[C@@H]1Cc2cccc(O)c2C1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000429317774 1074712980 /nfs/dbraw/zinc/71/29/80/1074712980.db2.gz PGGCYCXASQROTO-SJLPKXTDSA-N 0 3 406.548 1.797 20 0 HDADHN Cc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1N1CCOC1=O ZINC000766091801 1074726605 /nfs/dbraw/zinc/72/66/05/1074726605.db2.gz PFRWRGJJEBMLNL-QGZVFWFLSA-N 0 3 415.494 1.722 20 0 HDADHN Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)nn1-c1ccc(F)cc1F ZINC000577097676 1074727809 /nfs/dbraw/zinc/72/78/09/1074727809.db2.gz LHJRNFNBHFFHHD-INIZCTEOSA-N 0 3 417.460 2.484 20 0 HDADHN C[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000766096820 1074753911 /nfs/dbraw/zinc/75/39/11/1074753911.db2.gz IFSJRTVCNLDYDM-RBSFLKMASA-N 0 3 414.959 1.735 20 0 HDADHN C[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000766096820 1074753918 /nfs/dbraw/zinc/75/39/18/1074753918.db2.gz IFSJRTVCNLDYDM-RBSFLKMASA-N 0 3 414.959 1.735 20 0 HDADHN CN1CCN(CCCCNC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000670497154 1074764061 /nfs/dbraw/zinc/76/40/61/1074764061.db2.gz ZHHLSSLRHGUXKY-UHFFFAOYSA-N 0 3 415.365 1.796 20 0 HDADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc(CNc2ccncn2)c1 ZINC000582984332 1074780051 /nfs/dbraw/zinc/78/00/51/1074780051.db2.gz KQOHRHFQKISYIS-JOCHJYFZSA-N 0 3 417.513 2.238 20 0 HDADHN Cc1cc(NC(=O)C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)nn1-c1ccccc1 ZINC000463971306 1074790998 /nfs/dbraw/zinc/79/09/98/1074790998.db2.gz ORWJJOBTLMHLJT-FQEVSTJZSA-N 0 3 419.485 2.325 20 0 HDADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675304897 1074793360 /nfs/dbraw/zinc/79/33/60/1074793360.db2.gz HTKZTVGXKVUBFI-FUHWJXTLSA-N 0 3 420.941 1.942 20 0 HDADHN C[N@@H+]1CCC[C@H]2CN(C(=O)c3c(F)ccc(S(=O)(=O)[N-]C4CC4)c3F)CC[C@@H]21 ZINC000766114335 1074821120 /nfs/dbraw/zinc/82/11/20/1074821120.db2.gz SLVHBECDDFHEAJ-WFASDCNBSA-N 0 3 413.490 1.962 20 0 HDADHN C[N@H+]1CCC[C@H]2CN(C(=O)c3c(F)ccc(S(=O)(=O)[N-]C4CC4)c3F)CC[C@@H]21 ZINC000766114335 1074821125 /nfs/dbraw/zinc/82/11/25/1074821125.db2.gz SLVHBECDDFHEAJ-WFASDCNBSA-N 0 3 413.490 1.962 20 0 HDADHN C[C@@H](CNC(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O)CN1CCN(C)CC1 ZINC000429334981 1075107280 /nfs/dbraw/zinc/10/72/80/1075107280.db2.gz UULNIUGTMOSMOK-PZJWPPBQSA-N 0 3 415.582 1.403 20 0 HDADHN C[C@H](CNC(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O)CN1CCN(C)CC1 ZINC000429334976 1075107292 /nfs/dbraw/zinc/10/72/92/1075107292.db2.gz UULNIUGTMOSMOK-CTNGQTDRSA-N 0 3 415.582 1.403 20 0 HDADHN CC[C@]1(C)NC(=O)N(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1=O ZINC000429345347 1075145170 /nfs/dbraw/zinc/14/51/70/1075145170.db2.gz CNBNTELRQQOLCY-UWJYYQICSA-N 0 3 402.495 1.114 20 0 HDADHN COCCC(C)(C)CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000546791403 1075163981 /nfs/dbraw/zinc/16/39/81/1075163981.db2.gz NAQYETKABMSUCA-UHFFFAOYSA-N 0 3 418.538 1.501 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2nnnn2-c2ccc(OC(F)F)cc2)CC1 ZINC000766143498 1075169648 /nfs/dbraw/zinc/16/96/48/1075169648.db2.gz DTVHRJYGGKLZFA-MRXNPFEDSA-N 0 3 421.452 1.002 20 0 HDADHN CN1CCN(Cc2ccc(CNC(=O)N3CCC(S(C)(=O)=O)CC3)cc2)CC1 ZINC000675479639 1075170681 /nfs/dbraw/zinc/17/06/81/1075170681.db2.gz BXCHQNCBNDPYCH-UHFFFAOYSA-N 0 3 408.568 1.153 20 0 HDADHN Cc1oc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1S(=O)(=O)N(C)C ZINC000675490842 1075175584 /nfs/dbraw/zinc/17/55/84/1075175584.db2.gz WDJMHVUDQWKUCA-AWEZNQCLSA-N 0 3 407.492 1.808 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c2ccccc2O1 ZINC000675492630 1075176987 /nfs/dbraw/zinc/17/69/87/1075176987.db2.gz YPCRCMSSDUUWLX-KRWDZBQOSA-N 0 3 415.515 1.978 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccnc2)c2ccccc2O1 ZINC000675511676 1075191074 /nfs/dbraw/zinc/19/10/74/1075191074.db2.gz REVGENJXVCGTJL-HNNXBMFYSA-N 0 3 404.492 1.106 20 0 HDADHN Cc1cc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc(S(N)(=O)=O)c1C ZINC000675511680 1075191132 /nfs/dbraw/zinc/19/11/32/1075191132.db2.gz RIHMHXQRVFFIJH-INIZCTEOSA-N 0 3 403.504 1.920 20 0 HDADHN Cc1c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)nnn1-c1ccc2c(c1)OCCO2 ZINC000675536801 1075194245 /nfs/dbraw/zinc/19/42/45/1075194245.db2.gz IZRQZRFYJFUBRW-QGZVFWFLSA-N 0 3 413.478 1.330 20 0 HDADHN CCN(CC)S(=O)(=O)c1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000675536793 1075194270 /nfs/dbraw/zinc/19/42/70/1075194270.db2.gz ILTQBMQASCKQCX-SFHVURJKSA-N 0 3 409.552 1.700 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000675537466 1075194575 /nfs/dbraw/zinc/19/45/75/1075194575.db2.gz AWNVHDQUDGUSIO-MAUKXSAKSA-N 0 3 415.490 1.180 20 0 HDADHN O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccco1 ZINC000675538805 1075196289 /nfs/dbraw/zinc/19/62/89/1075196289.db2.gz OXNSIDJOBOKCKH-UXHICEINSA-N 0 3 411.502 1.990 20 0 HDADHN COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 ZINC000675593098 1075230935 /nfs/dbraw/zinc/23/09/35/1075230935.db2.gz SCGUFIWGTKGIMB-QGZVFWFLSA-N 0 3 407.515 1.006 20 0 HDADHN CCN1CCN(CCNc2ncnc3ccc(I)cc32)CC1 ZINC000461462318 1075231711 /nfs/dbraw/zinc/23/17/11/1075231711.db2.gz IZTWWHYUXXTNDL-UHFFFAOYSA-N 0 3 411.291 2.284 20 0 HDADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cc(C)n(C3CCCCC3)n2)CC1 ZINC000517060879 1075231823 /nfs/dbraw/zinc/23/18/23/1075231823.db2.gz SYNDDAVPYPLQSA-UHFFFAOYSA-N 0 3 404.559 1.779 20 0 HDADHN O=C(Nc1cnn(CC2CC2)c1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000675598444 1075235259 /nfs/dbraw/zinc/23/52/59/1075235259.db2.gz UYBLSBRZEDUXFH-AZUAARDMSA-N 0 3 411.506 1.231 20 0 HDADHN CN1CCN(CCCNC(=O)N2CCN3CCOC[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000543640942 1075242541 /nfs/dbraw/zinc/24/25/41/1075242541.db2.gz CCOHJFBYBSFVBS-LEWJYISDSA-N 0 3 401.555 1.091 20 0 HDADHN COC[C@H](C)n1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)n1 ZINC000446915288 1075243276 /nfs/dbraw/zinc/24/32/76/1075243276.db2.gz UPCCNJHMHKELBN-HNNXBMFYSA-N 0 3 405.474 1.759 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)Cc2cc(-c3ccccc3)no2)CC1 ZINC000675759801 1075266154 /nfs/dbraw/zinc/26/61/54/1075266154.db2.gz JGRXYDWDYXWSBQ-IBGZPJMESA-N 0 3 418.519 1.410 20 0 HDADHN CNS(=O)(=O)Cc1ccc(CN[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000675764229 1075268289 /nfs/dbraw/zinc/26/82/89/1075268289.db2.gz GMNZLDKVQXHBLV-CQSZACIVSA-N 0 3 411.549 1.958 20 0 HDADHN Cc1c([C@@H](C)N[C@@H]2CCN(CCN3CCOCC3)C2)nnn1-c1ccc(F)cc1 ZINC000675885463 1075289091 /nfs/dbraw/zinc/28/90/91/1075289091.db2.gz BDKADIQWHHMCGU-VQIMIIECSA-N 0 3 402.518 1.772 20 0 HDADHN Cc1noc(C[C@H](NC(=O)N(C)CCCN2CCN(C)CC2)c2ccccc2)n1 ZINC000429386301 1075304979 /nfs/dbraw/zinc/30/49/79/1075304979.db2.gz JHKVRUNOWGXQMO-IBGZPJMESA-N 0 3 400.527 1.941 20 0 HDADHN Cc1cc(C)c(NC(=O)CCCN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C)c1 ZINC000675965068 1075310927 /nfs/dbraw/zinc/31/09/27/1075310927.db2.gz LXIHDQCQLFNHJC-RTBURBONSA-N 0 3 423.579 1.418 20 0 HDADHN COc1ccccc1C(C)(C)CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000675967801 1075311482 /nfs/dbraw/zinc/31/14/82/1075311482.db2.gz IPPBDEUUFXNYFL-SFHVURJKSA-N 0 3 402.539 1.921 20 0 HDADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)[C@H](C)N3C(=O)CCC3=O)CC2)cc1 ZINC001129157678 1075323138 /nfs/dbraw/zinc/32/31/38/1075323138.db2.gz JNEVKULIPBHZBW-AWEZNQCLSA-N 0 3 400.479 1.263 20 0 HDADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)Cc3nc(C4CC4)nn3C)CC2)cc1 ZINC001129158430 1075323354 /nfs/dbraw/zinc/32/33/54/1075323354.db2.gz PCLYVPXMLLOFEW-UHFFFAOYSA-N 0 3 410.522 1.974 20 0 HDADHN COCC(=O)N1CCc2c1cccc2NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000543653696 1075338725 /nfs/dbraw/zinc/33/87/25/1075338725.db2.gz VRAXSWTXJPVVJY-INIZCTEOSA-N 0 3 403.527 1.227 20 0 HDADHN COC(=O)[C@@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)[C@@H](C(=O)OC)C1 ZINC000509379218 1075340045 /nfs/dbraw/zinc/34/00/45/1075340045.db2.gz GZAYAALPMDLGOK-IEBWSBKVSA-N 0 3 417.506 1.152 20 0 HDADHN CN(C)[C@H]1Cc2ccccc2N(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)C1 ZINC000731467761 1075358067 /nfs/dbraw/zinc/35/80/67/1075358067.db2.gz AUNMXYSLMYNYJN-MBSDFSHPSA-N 0 3 406.486 1.973 20 0 HDADHN Cc1c(C(=O)N2CCC(C3OCCO3)CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000731474439 1075361290 /nfs/dbraw/zinc/36/12/90/1075361290.db2.gz UJRIJIWVADGDKA-UHFFFAOYSA-N 0 3 411.506 1.789 20 0 HDADHN CN(C)[C@H]1Cc2ccccc2N(C(=S)NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000731490758 1075367072 /nfs/dbraw/zinc/36/70/72/1075367072.db2.gz SQOZMUQAAVCRHF-INIZCTEOSA-N 0 3 404.561 1.701 20 0 HDADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000804094180 1075394534 /nfs/dbraw/zinc/39/45/34/1075394534.db2.gz SPQBHROVLXQXTK-IXDOHACOSA-N 0 3 410.559 1.929 20 0 HDADHN CNC(=O)Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000676124396 1075395494 /nfs/dbraw/zinc/39/54/94/1075395494.db2.gz HYYYXSUOSFLYSX-PZJWPPBQSA-N 0 3 410.518 1.980 20 0 HDADHN COc1cc(C=O)ccc1OCC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000731622258 1075416892 /nfs/dbraw/zinc/41/68/92/1075416892.db2.gz JTVOCFGAQZMYEX-UHFFFAOYSA-N 0 3 413.430 1.995 20 0 HDADHN C[C@@H](NC(=O)NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CN(C)CCO1 ZINC000676243042 1075444180 /nfs/dbraw/zinc/44/41/80/1075444180.db2.gz GSQPAOCAUOWYSU-CTNGQTDRSA-N 0 3 403.571 1.213 20 0 HDADHN C[C@H](NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@H]1CN(C)CCO1 ZINC000676281209 1075487299 /nfs/dbraw/zinc/48/72/99/1075487299.db2.gz VIZBUMHBQRNIJG-QFBILLFUSA-N 0 3 420.579 1.052 20 0 HDADHN CC1CCN([C@H](CNC(=O)N2CCN(CC(=O)N(C)C)CC2)c2cccs2)CC1 ZINC000676290285 1075494876 /nfs/dbraw/zinc/49/48/76/1075494876.db2.gz WWCPERDBVXXMOJ-GOSISDBHSA-N 0 3 421.611 1.937 20 0 HDADHN CN(C(=O)CNC1(CO)CCOCC1)c1ccccc1C(=O)NCc1ccco1 ZINC000731750976 1075507974 /nfs/dbraw/zinc/50/79/74/1075507974.db2.gz ABNGCZCBGBGUOY-UHFFFAOYSA-N 0 3 401.463 1.304 20 0 HDADHN O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NC1CCN([C@H]2CCOC2)CC1 ZINC000676341649 1075515207 /nfs/dbraw/zinc/51/52/07/1075515207.db2.gz BWXIVRZTGJOBDD-AWEZNQCLSA-N 0 3 417.478 1.003 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)NC3CCN(CC(=O)N(C)C)CC3)cc2)CC1 ZINC000731762062 1075516471 /nfs/dbraw/zinc/51/64/71/1075516471.db2.gz ZUXZRHVAFYJUDX-UHFFFAOYSA-N 0 3 416.570 1.503 20 0 HDADHN Cc1c(NC(=O)C(=O)NCCCCN2CCN(C)CC2)cnn1-c1ccccc1F ZINC000676453034 1075558550 /nfs/dbraw/zinc/55/85/50/1075558550.db2.gz GVGPFKKCYOBCRF-UHFFFAOYSA-N 0 3 416.501 1.402 20 0 HDADHN Cc1cc(NC(=O)C(=O)NCC2(CO)CC2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000676453545 1075558891 /nfs/dbraw/zinc/55/88/91/1075558891.db2.gz QCBVXEDZLSUSAM-SFHVURJKSA-N 0 3 411.506 1.466 20 0 HDADHN Cc1cc(NC(=O)C(=O)NCC(C)(C)CO)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000676455017 1075559245 /nfs/dbraw/zinc/55/92/45/1075559245.db2.gz GTMYERFILZVNQM-GOSISDBHSA-N 0 3 413.522 1.712 20 0 HDADHN CN(C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)[C@@H]1CCN(C2CC2)C1 ZINC000732034691 1075592104 /nfs/dbraw/zinc/59/21/04/1075592104.db2.gz GGNXYTDBWRLWCN-CQSZACIVSA-N 0 3 406.533 1.607 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)NCC2(OC)CCOCC2)CC1 ZINC000676565439 1075602879 /nfs/dbraw/zinc/60/28/79/1075602879.db2.gz PWBAZWPPJAXDGE-UHFFFAOYSA-N 0 3 404.555 1.819 20 0 HDADHN COCCN(C)CCOc1cccc(CNC(=O)N[C@H]2CCCS(=O)(=O)C2)c1 ZINC000543682762 1075667884 /nfs/dbraw/zinc/66/78/84/1075667884.db2.gz XACPDIPDFPKXQJ-KRWDZBQOSA-N 0 3 413.540 1.020 20 0 HDADHN O=C(NCc1nncn1C1CC1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000429462687 1075677104 /nfs/dbraw/zinc/67/71/04/1075677104.db2.gz ROJLJYJCFYYXFJ-UHFFFAOYSA-N 0 3 414.535 1.459 20 0 HDADHN O=C(NCCCCN1C(=O)c2ccccc2C1=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000732246354 1075679437 /nfs/dbraw/zinc/67/94/37/1075679437.db2.gz RDTOAUQJBJWXQA-HOTGVXAUSA-N 0 3 400.479 1.225 20 0 HDADHN O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)OCCN1CCCCC1 ZINC000923561644 1075696591 /nfs/dbraw/zinc/69/65/91/1075696591.db2.gz IDSQYGZLDPUSRD-UHFFFAOYSA-N 0 3 412.508 1.545 20 0 HDADHN C[C@@H]1CN(CCC2CCN(C(=O)C(=O)Nc3ncn(C(C)(C)C)n3)CC2)C[C@@H](C)O1 ZINC000542349718 1075701433 /nfs/dbraw/zinc/70/14/33/1075701433.db2.gz JWAHKYRKFHYQQP-HZPDHXFCSA-N 0 3 420.558 1.710 20 0 HDADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)C1 ZINC000425996170 1075716424 /nfs/dbraw/zinc/71/64/24/1075716424.db2.gz OJAWWVAHBJFTCT-ZBFHGGJFSA-N 0 3 401.540 1.787 20 0 HDADHN CCn1nc(C(=O)OCC(=O)N2CCCN(Cc3ccccc3C)CC2)ccc1=O ZINC000732374901 1075729022 /nfs/dbraw/zinc/72/90/22/1075729022.db2.gz VRVDSTNSKGGOSD-UHFFFAOYSA-N 0 3 412.490 1.463 20 0 HDADHN COC(=O)Cc1ccc(S(=O)(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000543687889 1075740726 /nfs/dbraw/zinc/74/07/26/1075740726.db2.gz VKNLJCZCINOOSP-UHFFFAOYSA-N 0 3 423.579 1.440 20 0 HDADHN Cc1nc2nc(N)nn2c(C)c1CC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000427371924 1075747650 /nfs/dbraw/zinc/74/76/50/1075747650.db2.gz GYMMYETWTBVUOV-UHFFFAOYSA-N 0 3 417.464 1.734 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000732463848 1075751855 /nfs/dbraw/zinc/75/18/55/1075751855.db2.gz SSGJYVJCBKOCKQ-KRWDZBQOSA-N 0 3 403.527 1.307 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000732465375 1075752943 /nfs/dbraw/zinc/75/29/43/1075752943.db2.gz DKKZCIXFKHGJMR-MRXNPFEDSA-N 0 3 412.556 1.996 20 0 HDADHN CN(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000732465998 1075753511 /nfs/dbraw/zinc/75/35/11/1075753511.db2.gz PBUWFUADNUUERO-IIDMSEBBSA-N 0 3 406.914 1.950 20 0 HDADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC2(N(C)C)CCC2)c1 ZINC000509264910 1075759236 /nfs/dbraw/zinc/75/92/36/1075759236.db2.gz SFFRLLGSPDVNOT-UHFFFAOYSA-N 0 3 403.570 1.480 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000509264539 1075760850 /nfs/dbraw/zinc/76/08/50/1075760850.db2.gz QTNVHISFYXDTKA-UHFFFAOYSA-N 0 3 401.555 1.240 20 0 HDADHN CN1CCC(N(Cc2ccccc2Br)C(=O)C(=O)Nc2ccon2)CC1 ZINC000567225744 1075777532 /nfs/dbraw/zinc/77/75/32/1075777532.db2.gz YZXVYYDVYWGNOJ-UHFFFAOYSA-N 0 3 421.295 2.499 20 0 HDADHN CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)NC[C@H](C)N1CCN(CC)CC1 ZINC000142583949 1075783433 /nfs/dbraw/zinc/78/34/33/1075783433.db2.gz DXUZAOAOPROBPV-KRWDZBQOSA-N 0 3 417.554 1.249 20 0 HDADHN CCc1cccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1CC ZINC000487866326 1075804817 /nfs/dbraw/zinc/80/48/17/1075804817.db2.gz CDOZPADFFVKRDT-IBGZPJMESA-N 0 3 402.539 1.809 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000732703800 1075837918 /nfs/dbraw/zinc/83/79/18/1075837918.db2.gz LAQMNAFFMKXLOD-VAMGGRTRSA-N 0 3 422.957 1.564 20 0 HDADHN CNC(=O)c1cncc(/C=C\C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)c1 ZINC000732741939 1075843013 /nfs/dbraw/zinc/84/30/13/1075843013.db2.gz DMOIMJCGLCEDCR-WTKPLQERSA-N 0 3 421.501 1.919 20 0 HDADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000429295052 1075846245 /nfs/dbraw/zinc/84/62/45/1075846245.db2.gz AAXRUZACVJHQPF-KSZLIROESA-N 0 3 418.538 1.749 20 0 HDADHN CC(C)Oc1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)nn1 ZINC000560179753 1075857228 /nfs/dbraw/zinc/85/72/28/1075857228.db2.gz UBJMFTZXCBPCIM-UHFFFAOYSA-N 0 3 403.458 1.932 20 0 HDADHN CCN1C[C@H](C)N(CC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)C[C@@H]1C ZINC000611225413 1075880743 /nfs/dbraw/zinc/88/07/43/1075880743.db2.gz WIQIOKORADQSGB-RYUDHWBXSA-N 0 3 411.524 1.983 20 0 HDADHN CN(C)[C@H](CNC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)Cc1ccccc1 ZINC000732883534 1075890895 /nfs/dbraw/zinc/89/08/95/1075890895.db2.gz VVDOVFOQYYOBSL-JKSUJKDBSA-N 0 3 400.445 1.964 20 0 HDADHN CN(C)[C@@H](CNC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)Cc1ccccc1 ZINC000732883531 1075891012 /nfs/dbraw/zinc/89/10/12/1075891012.db2.gz VVDOVFOQYYOBSL-CVEARBPZSA-N 0 3 400.445 1.964 20 0 HDADHN COC(=O)C(C)(C)[C@H]1CCCN([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000611321384 1075899667 /nfs/dbraw/zinc/89/96/67/1075899667.db2.gz OHQRXCMKIGGIAC-IRXDYDNUSA-N 0 3 419.522 1.864 20 0 HDADHN CCCCCCN(C)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000732913846 1075911234 /nfs/dbraw/zinc/91/12/34/1075911234.db2.gz CZHCVVPXKRVOSO-IBGZPJMESA-N 0 3 418.586 1.910 20 0 HDADHN C[C@@H](N[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1)c1ccc2c(c1)CC(=O)N2C ZINC000732919759 1075914096 /nfs/dbraw/zinc/91/40/96/1075914096.db2.gz VYFWPWIAWOHDIC-CVEARBPZSA-N 0 3 408.506 1.383 20 0 HDADHN COc1ccc([C@@H](CNC(=O)N(CCO)CCN2CCOCC2)N2CCCC2)cc1 ZINC000489835447 1075934176 /nfs/dbraw/zinc/93/41/76/1075934176.db2.gz JCMRRXHHTRSYBL-OAQYLSRUSA-N 0 3 420.554 1.168 20 0 HDADHN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)ccc1N1C(=O)CCC1=O ZINC000733046341 1075952811 /nfs/dbraw/zinc/95/28/11/1075952811.db2.gz PEDFUULSNCXSNP-GOEBONIOSA-N 0 3 414.506 1.824 20 0 HDADHN CN1CCN(CCCNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000733125573 1075978555 /nfs/dbraw/zinc/97/85/55/1075978555.db2.gz ZRTRBQQJDYVQLX-FXBPSFAMSA-N 0 3 407.518 1.606 20 0 HDADHN Cc1csc([C@](O)(CC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)C(F)(F)F)n1 ZINC000733155300 1075989265 /nfs/dbraw/zinc/98/92/65/1075989265.db2.gz AKUJHCIKWILTID-WMLDXEAASA-N 0 3 422.517 1.980 20 0 HDADHN COCCN1C(=O)c2ccc(C(=O)N(CCN(C)C)C3CCCC3)cc2S1(=O)=O ZINC000733156937 1075989474 /nfs/dbraw/zinc/98/94/74/1075989474.db2.gz LATJWOFRKQQASG-UHFFFAOYSA-N 0 3 423.535 1.424 20 0 HDADHN CN(C)CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)C1CCCC1 ZINC000733156167 1075989944 /nfs/dbraw/zinc/98/99/44/1075989944.db2.gz BOAZZBYHZHUSEH-UHFFFAOYSA-N 0 3 405.520 1.940 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000733158365 1075991457 /nfs/dbraw/zinc/99/14/57/1075991457.db2.gz IIDXZKNKASDOLU-XJKSGUPXSA-N 0 3 408.490 1.734 20 0 HDADHN CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)N[C@@H](C)C3=CCN(C)CC3)C2)no1 ZINC000511227408 1075993130 /nfs/dbraw/zinc/99/31/30/1075993130.db2.gz BWBZLXLQNGJDLI-YOEHRIQHSA-N 0 3 404.515 1.415 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)CC1 ZINC000733161970 1075994691 /nfs/dbraw/zinc/99/46/91/1075994691.db2.gz OEMKZWLXIANQTJ-DQPIFXJKSA-N 0 3 401.490 1.261 20 0 HDADHN CCN1CCN(CCNC(=O)c2ccc3c(c2)[nH]c(=O)n(-c2ccccc2)c3=O)CC1 ZINC000733162895 1075995390 /nfs/dbraw/zinc/99/53/90/1075995390.db2.gz WJDQESHCHLMXGJ-UHFFFAOYSA-N 0 3 421.501 1.459 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)C2CCN(C(=O)c3cccnc3)CC2)CC1 ZINC000733169612 1075999820 /nfs/dbraw/zinc/99/98/20/1075999820.db2.gz DHHDMZXPASNLKV-GOSISDBHSA-N 0 3 401.555 1.324 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000733170766 1076000466 /nfs/dbraw/zinc/00/04/66/1076000466.db2.gz RYBJYIPRDNTJRI-CGQZWFTASA-N 0 3 408.568 1.461 20 0 HDADHN C[C@H]1CN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000733184813 1076011986 /nfs/dbraw/zinc/01/19/86/1076011986.db2.gz PHZWJLUFSFDWAJ-GJZGRUSLSA-N 0 3 409.531 1.290 20 0 HDADHN COCCN(CCC(=O)OC)C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000733222419 1076014835 /nfs/dbraw/zinc/01/48/35/1076014835.db2.gz FFKIICKLQMHIHA-UHFFFAOYSA-N 0 3 415.494 1.215 20 0 HDADHN Cc1ccccc1[C@@H](NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C(C)C ZINC000514397233 1076022314 /nfs/dbraw/zinc/02/23/14/1076022314.db2.gz DXDFIBSRHLFXOM-QHCPKHFHSA-N 0 3 416.566 1.285 20 0 HDADHN COCCN(C)CCNC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000727032814 1076029266 /nfs/dbraw/zinc/02/92/66/1076029266.db2.gz JHQPOPBUDIAONM-UHFFFAOYSA-N 0 3 418.460 1.991 20 0 HDADHN CNS(=O)(=O)[C@@H]1CCCN(Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000733301896 1076033765 /nfs/dbraw/zinc/03/37/65/1076033765.db2.gz XNORPYKLQFBWMO-GFCCVEGCSA-N 0 3 414.325 1.735 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc2)CC1 ZINC000733310535 1076036056 /nfs/dbraw/zinc/03/60/56/1076036056.db2.gz CBWPRKFUZNENKL-SJORKVTESA-N 0 3 410.584 1.520 20 0 HDADHN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CN2CCN(C3CCC3)CC2)c1=O ZINC000733296057 1076041430 /nfs/dbraw/zinc/04/14/30/1076041430.db2.gz JSNAAOQGHDRWRM-UHFFFAOYSA-N 0 3 421.567 1.201 20 0 HDADHN CCN(CC)[C@H](CNC(=S)NCCNS(C)(=O)=O)c1cccc(OC)c1 ZINC000727073027 1076045681 /nfs/dbraw/zinc/04/56/81/1076045681.db2.gz IGRWYURAMOAIRS-MRXNPFEDSA-N 0 3 402.586 1.091 20 0 HDADHN O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000727231336 1076086176 /nfs/dbraw/zinc/08/61/76/1076086176.db2.gz IXKLZZAPCBEMHZ-CYBMUJFWSA-N 0 3 401.435 1.318 20 0 HDADHN CN(C)C(=O)Cn1cc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cn1 ZINC000727286282 1076092538 /nfs/dbraw/zinc/09/25/38/1076092538.db2.gz UXYKDIOLEIPVRU-UHFFFAOYSA-N 0 3 400.552 1.922 20 0 HDADHN CN1CCC2(CC1)NC(=O)N(CN1CCO[C@H](c3ccc(F)c(Cl)c3)C1)C2=O ZINC000727422777 1076126819 /nfs/dbraw/zinc/12/68/19/1076126819.db2.gz CQDKIMBQBDZGGE-INIZCTEOSA-N 0 3 410.877 1.826 20 0 HDADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000733667966 1076148659 /nfs/dbraw/zinc/14/86/59/1076148659.db2.gz AGAWJPNKKLYKFA-GOSISDBHSA-N 0 3 402.495 1.958 20 0 HDADHN Cc1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c(CN(C)C)c1 ZINC000733782625 1076204830 /nfs/dbraw/zinc/20/48/30/1076204830.db2.gz WOUMSCGOOLEAMZ-OAHLLOKOSA-N 0 3 406.508 1.161 20 0 HDADHN O=C(N[C@H](CN1CCCCC1)c1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000727675504 1076206167 /nfs/dbraw/zinc/20/61/67/1076206167.db2.gz BGNOYOQCBBINAO-LJQANCHMSA-N 0 3 414.531 1.827 20 0 HDADHN CS(=O)(=O)Cc1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000534183909 1076246939 /nfs/dbraw/zinc/24/69/39/1076246939.db2.gz OBGPMCJEAGBWSR-RTWAWAEBSA-N 0 3 416.543 1.844 20 0 HDADHN CC(C)N1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1 ZINC000727806861 1076259672 /nfs/dbraw/zinc/25/96/72/1076259672.db2.gz HUUSFQZSITVCEX-UHFFFAOYSA-N 0 3 404.330 1.653 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000727860210 1076274656 /nfs/dbraw/zinc/27/46/56/1076274656.db2.gz XQFSBNHDLUAOFW-SFHVURJKSA-N 0 3 422.485 1.932 20 0 HDADHN Cc1ccccc1[C@]1(C)NC(=O)N(CN2CCC(CN3CCOCC3)CC2)C1=O ZINC000728045938 1076318779 /nfs/dbraw/zinc/31/87/79/1076318779.db2.gz SXMGMEQBKNFXTF-QFIPXVFZSA-N 0 3 400.523 1.764 20 0 HDADHN COC(=O)C1CCN(CCCNc2ncnc3c2c(Br)nn3C)CC1 ZINC000728050487 1076319338 /nfs/dbraw/zinc/31/93/38/1076319338.db2.gz HAMJEERFOWYAKL-UHFFFAOYSA-N 0 3 411.304 1.813 20 0 HDADHN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000728070179 1076332414 /nfs/dbraw/zinc/33/24/14/1076332414.db2.gz FIDSRZPNHOAPSD-IPOSWJEFSA-N 0 3 408.568 1.185 20 0 HDADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000728151987 1076348105 /nfs/dbraw/zinc/34/81/05/1076348105.db2.gz KYGHWSOOBSPDST-ALKREAHSSA-N 0 3 400.504 1.668 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000730127292 1076459110 /nfs/dbraw/zinc/45/91/10/1076459110.db2.gz NRGFDCGEKPONPL-HOTGVXAUSA-N 0 3 411.547 1.238 20 0 HDADHN CC(C)(C)OC(=O)N[C@H]1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000730264902 1076505852 /nfs/dbraw/zinc/50/58/52/1076505852.db2.gz WYLJKRXGXLCYCP-KRWDZBQOSA-N 0 3 403.527 1.719 20 0 HDADHN CCOC(=O)c1cc(S(=O)(=O)NCCCCN2CCN(C)CC2)ccc1F ZINC000730266395 1076507797 /nfs/dbraw/zinc/50/77/97/1076507797.db2.gz FVAYXPFAHARLOD-UHFFFAOYSA-N 0 3 401.504 1.308 20 0 HDADHN C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000730266575 1076507971 /nfs/dbraw/zinc/50/79/71/1076507971.db2.gz YJHFUKDBVPLEBX-LSDHHAIUSA-N 0 3 410.559 1.724 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000730538868 1076585550 /nfs/dbraw/zinc/58/55/50/1076585550.db2.gz ASYBAIWGOLUWFF-HSALFYBXSA-N 0 3 421.563 1.208 20 0 HDADHN CN(C)CCN(Cc1ccccn1)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000730547862 1076598414 /nfs/dbraw/zinc/59/84/14/1076598414.db2.gz KDNGTHFXOLRDND-IBGZPJMESA-N 0 3 412.469 1.231 20 0 HDADHN COC(=O)NCCCC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000730748924 1076646691 /nfs/dbraw/zinc/64/66/91/1076646691.db2.gz BFGRMPYOVHMBJE-SFHVURJKSA-N 0 3 403.527 1.578 20 0 HDADHN COC1CCN(C(C)(C)CNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000730841579 1076670835 /nfs/dbraw/zinc/67/08/35/1076670835.db2.gz KXVIJEALKJXKDQ-UHFFFAOYSA-N 0 3 403.932 1.607 20 0 HDADHN CCOC(=O)N1CCN(C(=O)CNC2(c3ccc(OC)cc3)CCOCC2)CC1 ZINC000730933622 1076695106 /nfs/dbraw/zinc/69/51/06/1076695106.db2.gz KDZLAKZPRABNOK-UHFFFAOYSA-N 0 3 405.495 1.591 20 0 HDADHN C[C@@H]1CN(c2ccc(NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)cc2F)C[C@@H](C)O1 ZINC000731133531 1076736558 /nfs/dbraw/zinc/73/65/58/1076736558.db2.gz BDDPMHNLEPXMSK-IIDMSEBBSA-N 0 3 418.513 1.978 20 0 HDADHN O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1CC[C@@H]2NCCO[C@@H]2C1 ZINC001164390074 718824076 /nfs/dbraw/zinc/82/40/76/718824076.db2.gz LSDYMAHGSXSPLU-OHNRDTAOSA-N 0 3 424.908 1.560 20 0 HDADHN COCCN1CCN(C)C2(CCN(c3cc(N4CCCC4)nc(C)n3)CC2)C1=O ZINC001164635686 719269384 /nfs/dbraw/zinc/26/93/84/719269384.db2.gz TVLBFOUACISDSI-UHFFFAOYSA-N 0 3 402.543 1.145 20 0 HDADHN O=C(c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1)N1CCOCC1 ZINC001164869945 721050504 /nfs/dbraw/zinc/05/05/04/721050504.db2.gz URUCBFXNLGWQJU-SFTDATJTSA-N 0 3 423.517 1.429 20 0 HDADHN NC(=O)c1cc(F)c(Cl)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867792 721066455 /nfs/dbraw/zinc/06/64/55/721066455.db2.gz KLRXDRHIOBFZEF-KBPBESRZSA-N 0 3 405.861 1.848 20 0 HDADHN CON(C)C(=O)c1cc(C)cnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164872763 721123630 /nfs/dbraw/zinc/12/36/30/721123630.db2.gz IHCONHBMTZAPIA-OALUTQOASA-N 0 3 411.506 1.898 20 0 HDADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c4CN(C)CC5)C[C@H]3C2)cn1 ZINC001164767231 721236340 /nfs/dbraw/zinc/23/63/40/721236340.db2.gz WKKPCAHCSCDROS-HZPDHXFCSA-N 0 3 401.946 1.810 20 0 HDADHN CN(Cc1ccc(N2C[C@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)nc1)C1CC1 ZINC001164882484 721338098 /nfs/dbraw/zinc/33/80/98/721338098.db2.gz FHNXQZWZDOYQFF-CVDCTZTESA-N 0 3 414.550 1.768 20 0 HDADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5nc[nH]c54)C3)O2)CC1 ZINC001164886770 721382709 /nfs/dbraw/zinc/38/27/09/721382709.db2.gz GDXNILMHEHFHIL-LIRRHRJNSA-N 0 3 405.934 1.772 20 0 HDADHN CCOC(=O)Cc1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1 ZINC001164890619 721412412 /nfs/dbraw/zinc/41/24/12/721412412.db2.gz UESUXOJRGBNNGK-NFBKMPQASA-N 0 3 416.566 1.953 20 0 HDADHN CC(C)c1nc(N(C)C)nc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164888296 721420362 /nfs/dbraw/zinc/42/03/62/721420362.db2.gz NYVVZDODTONKHZ-GCJKJVERSA-N 0 3 417.602 1.826 20 0 HDADHN CN(Cc1cccnc1)[C@H]1CN(c2ccnc(N3CCN(C)CC3)n2)[C@@H]2CCCO[C@@H]21 ZINC001164802623 721585296 /nfs/dbraw/zinc/58/52/96/721585296.db2.gz HHHACGHNZBVYCQ-URVUXULASA-N 0 3 423.565 1.492 20 0 HDADHN Cn1cc(C(=O)N[C@@H]2CN(c3ccc(CN4CCCC4)cn3)[C@@H]3CCCO[C@@H]23)cn1 ZINC001165014353 721757878 /nfs/dbraw/zinc/75/78/78/721757878.db2.gz YVAGAXDIJABWRO-SBHAEUEKSA-N 0 3 410.522 1.577 20 0 HDADHN Cn1cc(C(=O)N[C@@H]2CN(c3ncccc3CN3CCCC3)[C@H]3CCCO[C@H]23)cn1 ZINC001165013512 721758178 /nfs/dbraw/zinc/75/81/78/721758178.db2.gz MZYQNGWAJNNPRZ-HSALFYBXSA-N 0 3 410.522 1.577 20 0 HDADHN NC(=O)c1cc(Cl)cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984377 722103309 /nfs/dbraw/zinc/10/33/09/722103309.db2.gz SWZWRTREIVSBGU-QAPCUYQASA-N 0 3 401.898 1.956 20 0 HDADHN COC(=O)c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1OC ZINC001164978203 722103728 /nfs/dbraw/zinc/10/37/28/722103728.db2.gz GDNZEGXEKQASLC-YLJYHZDGSA-N 0 3 412.490 1.999 20 0 HDADHN Cc1nc(CN2CCO[C@@H]3CCN(c4cc5c(nn4)CCNC5)CC[C@H]32)cs1 ZINC001164986951 722184068 /nfs/dbraw/zinc/18/40/68/722184068.db2.gz GHUUOVRWNQASPB-RTBURBONSA-N 0 3 400.552 1.757 20 0 HDADHN Cc1cc(N2CCCC2)nc(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)n1 ZINC001164997664 722228691 /nfs/dbraw/zinc/22/86/91/722228691.db2.gz RNYMJACNXGRRDR-UHFFFAOYSA-N 0 3 408.554 1.532 20 0 HDADHN COc1ccc(C(=O)NCCCC(=O)N2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000625182796 1073550875 /nfs/dbraw/zinc/55/08/75/1073550875.db2.gz LKDSRJNFACPHMN-HXUWFJFHSA-N 0 3 403.523 1.919 20 0 HDADHN Cc1nnc(SCC(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)[nH]1 ZINC000673658096 1073598404 /nfs/dbraw/zinc/59/84/04/1073598404.db2.gz BOLCWUWGYZJVCS-UHFFFAOYSA-N 0 3 417.539 1.054 20 0 HDADHN Cc1cccc(N2CCN(CCC(=O)N3CCN([C@H]4CCC[C@@H]4O)CC3)CC2)c1 ZINC000673661575 1073615524 /nfs/dbraw/zinc/61/55/24/1073615524.db2.gz INFFSGPLSRTXRW-VXKWHMMOSA-N 0 3 400.567 1.565 20 0 HDADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000673700898 1073643945 /nfs/dbraw/zinc/64/39/45/1073643945.db2.gz XESYACYFZOSMSV-VQTJNVASSA-N 0 3 400.523 1.237 20 0 HDADHN Cc1cccn2cc(CCNC(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)nc12 ZINC000673772935 1073706309 /nfs/dbraw/zinc/70/63/09/1073706309.db2.gz LIYWDQNGLULINN-SFHVURJKSA-N 0 3 400.527 1.427 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000673769736 1073713080 /nfs/dbraw/zinc/71/30/80/1073713080.db2.gz UYRFVYDQRRFZSI-IBGZPJMESA-N 0 3 401.555 1.457 20 0 HDADHN CN(CCCC[NH+](C)C)C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000673840746 1073804794 /nfs/dbraw/zinc/80/47/94/1073804794.db2.gz MOKGHPGOVNFOEY-UHFFFAOYSA-N 0 3 412.375 1.589 20 0 HDADHN C[C@H](NC(=O)CNC(=O)CN[C@H](CC(N)=O)C1CCCCC1)c1ccc(F)cc1 ZINC000543493381 1073817759 /nfs/dbraw/zinc/81/77/59/1073817759.db2.gz HUASCGIWZMXXAX-KBXCAEBGSA-N 0 3 406.502 1.533 20 0 HDADHN C[C@@H](NC(=O)CNC(=O)CN[C@H](CC(N)=O)C1CCCCC1)c1ccc(F)cc1 ZINC000543493384 1073818014 /nfs/dbraw/zinc/81/80/14/1073818014.db2.gz HUASCGIWZMXXAX-RDTXWAMCSA-N 0 3 406.502 1.533 20 0 HDADHN O=C(NC1CCN(CC(F)F)CC1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000673876603 1073843714 /nfs/dbraw/zinc/84/37/14/1073843714.db2.gz HDDIZQPGKXQYIG-HKUYNNGSSA-N 0 3 410.509 1.898 20 0 HDADHN CC(C)(CO)N1CCN(CC(=O)N2CCN(Cc3cccc4ccccc43)CC2)CC1 ZINC000673896312 1073867309 /nfs/dbraw/zinc/86/73/09/1073867309.db2.gz UEFKUMHGWFXTNR-UHFFFAOYSA-N 0 3 424.589 1.873 20 0 HDADHN CCn1cnnc1-c1ccccc1NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000543523474 1073981928 /nfs/dbraw/zinc/98/19/28/1073981928.db2.gz WCQDFXVZLRZJKU-INIZCTEOSA-N 0 3 414.510 1.473 20 0 HDADHN CN1CCN([C@@H](C(=O)N2CCC[C@H](N3CCOCC3)CC2)c2ccccc2)CC1 ZINC000670443956 1073990283 /nfs/dbraw/zinc/99/02/83/1073990283.db2.gz YJCJXTPOICXKBO-FCHUYYIVSA-N 0 3 400.567 1.688 20 0 HDADHN C[C@@H]1CN(CCC2CCN(C(=O)NC[C@H]3CCS(=O)(=O)C3)CC2)C[C@@H](C)O1 ZINC000429185860 1074003671 /nfs/dbraw/zinc/00/36/71/1074003671.db2.gz SXFSBCMFRFBEQA-JFIYKMOQSA-N 0 3 401.573 1.342 20 0 HDADHN COCCOc1ccc(Cl)cc1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000673989977 1074011830 /nfs/dbraw/zinc/01/18/30/1074011830.db2.gz YLFRUANZZBRVCW-QGZVFWFLSA-N 0 3 409.914 1.920 20 0 HDADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000543526610 1074012821 /nfs/dbraw/zinc/01/28/21/1074012821.db2.gz HXAKJIVEMITLHV-UHFFFAOYSA-N 0 3 410.474 1.298 20 0 HDADHN O=C(NC1CCN(c2cccnn2)CC1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000429196408 1074051825 /nfs/dbraw/zinc/05/18/25/1074051825.db2.gz GHFVNIPEMLVYBW-TZIWHRDSSA-N 0 3 424.549 1.628 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)CC1 ZINC000674013273 1074063948 /nfs/dbraw/zinc/06/39/48/1074063948.db2.gz CQVJAVBPVGRPKL-GOSISDBHSA-N 0 3 408.506 1.903 20 0 HDADHN O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000674038857 1074109686 /nfs/dbraw/zinc/10/96/86/1074109686.db2.gz FAXJBWOWTYIOLP-MRXNPFEDSA-N 0 3 402.886 1.519 20 0 HDADHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)Cc1ccccc1 ZINC000543562016 1074119193 /nfs/dbraw/zinc/11/91/93/1074119193.db2.gz AYXGNMYDFGZROK-LJQANCHMSA-N 0 3 423.517 1.439 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cccnc2N2CCCCC2)CC1 ZINC000509214846 1074149811 /nfs/dbraw/zinc/14/98/11/1074149811.db2.gz AWJGFZWHMHOPKB-GOSISDBHSA-N 0 3 416.570 1.400 20 0 HDADHN CC(C)N1CCN(c2ccc(C(=O)N[C@@H](CC(N)=O)C3CCOCC3)cc2)CC1 ZINC000466629234 1074164145 /nfs/dbraw/zinc/16/41/45/1074164145.db2.gz XEXCPDACQVENJR-FQEVSTJZSA-N 0 3 402.539 1.617 20 0 HDADHN CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000674193199 1074208453 /nfs/dbraw/zinc/20/84/53/1074208453.db2.gz SISVWPXHUBQNAC-KRWDZBQOSA-N 0 3 408.524 1.377 20 0 HDADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000674291824 1074257114 /nfs/dbraw/zinc/25/71/14/1074257114.db2.gz FSTHZFZSYHKIMK-MRXNPFEDSA-N 0 3 421.519 1.551 20 0 HDADHN COC1CCN(CCNC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000674311204 1074268118 /nfs/dbraw/zinc/26/81/18/1074268118.db2.gz YVERXRMGNNYAHQ-UHFFFAOYSA-N 0 3 423.579 1.631 20 0 HDADHN COC1CCN(CCNC(=O)CN(C)C(=O)c2ccc(Br)o2)CC1 ZINC000674310768 1074268434 /nfs/dbraw/zinc/26/84/34/1074268434.db2.gz KYNPFLCGPBKQFV-UHFFFAOYSA-N 0 3 402.289 1.341 20 0 HDADHN COC1CCN(CCNC(=O)c2cccc(CS(=O)(=O)NC(C)(C)C)c2)CC1 ZINC000674310760 1074268627 /nfs/dbraw/zinc/26/86/27/1074268627.db2.gz KOBYDTXAADJSGP-UHFFFAOYSA-N 0 3 411.568 1.745 20 0 HDADHN COC1CCN(CCNC(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 ZINC000674324921 1074274286 /nfs/dbraw/zinc/27/42/86/1074274286.db2.gz TUGUIIXNCTZCIS-IBGZPJMESA-N 0 3 417.550 1.921 20 0 HDADHN CC[C@H](NC(=O)NCCN1CCC(OC)CC1)c1ccccc1OCC(=O)NC ZINC000674329059 1074277974 /nfs/dbraw/zinc/27/79/74/1074277974.db2.gz WSBOEUSKZQZHMW-SFHVURJKSA-N 0 3 406.527 1.673 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1=O ZINC000674423673 1074326597 /nfs/dbraw/zinc/32/65/97/1074326597.db2.gz ADGIDEOCYTYNEX-SVMVAKDDSA-N 0 3 413.522 1.843 20 0 HDADHN CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCCN2CCCC2)cc1 ZINC000674566676 1074444053 /nfs/dbraw/zinc/44/40/53/1074444053.db2.gz BPVRYPMKYDJBFF-LJQANCHMSA-N 0 3 407.536 1.644 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1=O ZINC000674583195 1074448559 /nfs/dbraw/zinc/44/85/59/1074448559.db2.gz JPLKPXQSAWFEET-JLHGSKIFSA-N 0 3 416.497 1.874 20 0 HDADHN CCN1C(=O)[C@H]2CN(C(=O)c3ccc(N4CCN(C(C)C)CC4)cc3)CCN2C1=O ZINC000674594018 1074472882 /nfs/dbraw/zinc/47/28/82/1074472882.db2.gz CLHCRNZJGLZSOC-LJQANCHMSA-N 0 3 413.522 1.326 20 0 HDADHN CN(C)CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000674640346 1074499717 /nfs/dbraw/zinc/49/97/17/1074499717.db2.gz DYSOJCVVFPNKMF-UTKZUKDTSA-N 0 3 401.511 1.480 20 0 HDADHN CC(C)C1CCC(N2CCN(C(=O)NCCCN(C)S(C)(=O)=O)CC2)CC1 ZINC000674671721 1074516191 /nfs/dbraw/zinc/51/61/91/1074516191.db2.gz XQPSXVXJYMFAMH-UHFFFAOYSA-N 0 3 402.605 1.810 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)CC1 ZINC000509234654 1074523707 /nfs/dbraw/zinc/52/37/07/1074523707.db2.gz OBSGNNTXYVVLAS-INIZCTEOSA-N 0 3 419.526 1.678 20 0 HDADHN CC(C)C1CCC(N2CCN(C(=O)NCCCN3CCCS3(=O)=O)CC2)CC1 ZINC000674673149 1074525089 /nfs/dbraw/zinc/52/50/89/1074525089.db2.gz FFAUSCDZKNXILU-UHFFFAOYSA-N 0 3 414.616 1.954 20 0 HDADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000674790396 1074567751 /nfs/dbraw/zinc/56/77/51/1074567751.db2.gz GHOYYCLHNRVMIF-QFBILLFUSA-N 0 3 419.551 1.430 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(COC(=O)C2CC[C@H](C(F)(F)F)NC2=O)cc1 ZINC000766076072 1074583971 /nfs/dbraw/zinc/58/39/71/1074583971.db2.gz FYEIDVJCHNTFPN-CHWSQXEVSA-N 0 3 408.398 1.437 20 0 HDADHN COCCn1ncc2ccc(NC(=O)C(=O)N(CCN(C)C)Cc3ccco3)cc21 ZINC000674899932 1074607004 /nfs/dbraw/zinc/60/70/04/1074607004.db2.gz LBVYJVXQNYGSJX-UHFFFAOYSA-N 0 3 413.478 1.805 20 0 HDADHN CCc1ccc([C@H](CNC(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)N(C)C)cc1 ZINC000675084415 1074700658 /nfs/dbraw/zinc/70/06/58/1074700658.db2.gz WNJGCTNAOMEMIZ-ROUUACIJSA-N 0 3 401.511 1.530 20 0 HDADHN O=C(NCCCCN1CCN(CCO)CC1)Nc1nnc(/C=C/c2ccco2)s1 ZINC000484094753 1074722514 /nfs/dbraw/zinc/72/25/14/1074722514.db2.gz GSGJQZNVFMBETO-AATRIKPKSA-N 0 3 420.539 1.813 20 0 HDADHN Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)nn1-c1ccc(F)cc1F ZINC000582989369 1074723767 /nfs/dbraw/zinc/72/37/67/1074723767.db2.gz QQUHFXXPHHTDQP-OAHLLOKOSA-N 0 3 403.433 2.094 20 0 HDADHN C[C@@H]1C[C@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)CN1Cc1ccccc1 ZINC000675147316 1074744442 /nfs/dbraw/zinc/74/44/42/1074744442.db2.gz RARIGLAKRFWASQ-WBVHZDCISA-N 0 3 403.504 1.492 20 0 HDADHN C[C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000766096815 1074753994 /nfs/dbraw/zinc/75/39/94/1074753994.db2.gz IFSJRTVCNLDYDM-KFWWJZLASA-N 0 3 414.959 1.735 20 0 HDADHN C[C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000766096815 1074754000 /nfs/dbraw/zinc/75/40/00/1074754000.db2.gz IFSJRTVCNLDYDM-KFWWJZLASA-N 0 3 414.959 1.735 20 0 HDADHN CS[C@H](CO)[C@H](C)N[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766100332 1074770150 /nfs/dbraw/zinc/77/01/50/1074770150.db2.gz ZXOGILWLEFEQLQ-SLEUVZQESA-N 0 3 410.583 1.175 20 0 HDADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@H](C)O1 ZINC000670503105 1074819595 /nfs/dbraw/zinc/81/95/95/1074819595.db2.gz CJWTUBUTEHRECS-YHELAOLJSA-N 0 3 416.566 1.506 20 0 HDADHN CN1C(=O)c2ccc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)cc2C1=O ZINC000429341256 1075123866 /nfs/dbraw/zinc/12/38/66/1075123866.db2.gz ZGMWSGRWCTWQFI-SFHVURJKSA-N 0 3 407.470 1.933 20 0 HDADHN CC(C)CS(=O)(=O)N1CCC(N[C@@H](C)CS(=O)(=O)c2ccccc2)CC1 ZINC000543626974 1075140960 /nfs/dbraw/zinc/14/09/60/1075140960.db2.gz ORTQEQWSRKSQRJ-INIZCTEOSA-N 0 3 402.582 1.889 20 0 HDADHN COCCCn1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)n1 ZINC000443838649 1075148017 /nfs/dbraw/zinc/14/80/17/1075148017.db2.gz UOFNLAYNHMQQLR-QFBILLFUSA-N 0 3 401.511 1.974 20 0 HDADHN COCCCn1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000494081424 1075156653 /nfs/dbraw/zinc/15/66/53/1075156653.db2.gz YTCCFCRJBWZBSS-RTBURBONSA-N 0 3 401.511 1.924 20 0 HDADHN CN(C)C[C@H]1CN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)c2ccccc2O1 ZINC000675468995 1075164013 /nfs/dbraw/zinc/16/40/13/1075164013.db2.gz ABERUUPTBBNWCF-HNNXBMFYSA-N 0 3 414.491 1.395 20 0 HDADHN CN(C)C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c2ccccc2O1 ZINC000675471562 1075167950 /nfs/dbraw/zinc/16/79/50/1075167950.db2.gz JAEJNLATZSTYCY-MRXNPFEDSA-N 0 3 403.504 1.906 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCC(S(C)(=O)=O)CC3)cc2)CC1 ZINC000675480157 1075170251 /nfs/dbraw/zinc/17/02/51/1075170251.db2.gz IFMBBTVGBRUFBQ-UHFFFAOYSA-N 0 3 422.595 1.543 20 0 HDADHN Cn1cc(-c2nn(C)cc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cn1 ZINC000429351879 1075179450 /nfs/dbraw/zinc/17/94/50/1075179450.db2.gz UTKWEQLUVZHUKQ-IBGZPJMESA-N 0 3 408.506 1.842 20 0 HDADHN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000675511386 1075189485 /nfs/dbraw/zinc/18/94/85/1075189485.db2.gz GDVIMAPPBRBMLY-DZGCQCFKSA-N 0 3 422.507 1.314 20 0 HDADHN COc1cc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)sc1S(N)(=O)=O ZINC000675511502 1075190455 /nfs/dbraw/zinc/19/04/55/1075190455.db2.gz KDEBHKFLXQSQGW-NSHDSACASA-N 0 3 411.505 1.374 20 0 HDADHN NC(=O)c1cccnc1N1CCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000509348303 1075192292 /nfs/dbraw/zinc/19/22/92/1075192292.db2.gz MUQJJLWGDWZEFT-UHFFFAOYSA-N 0 3 408.550 1.515 20 0 HDADHN CS(=O)(=O)c1ccc(OCCCC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000675537116 1075194201 /nfs/dbraw/zinc/19/42/01/1075194201.db2.gz VFJAYTREBBDBHI-KRWDZBQOSA-N 0 3 410.536 1.619 20 0 HDADHN O=C(COc1ccccc1)N1CCC(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000675538127 1075194993 /nfs/dbraw/zinc/19/49/93/1075194993.db2.gz FMCKQVOLIPGXBZ-HXUWFJFHSA-N 0 3 415.534 1.674 20 0 HDADHN COc1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1S(=O)(=O)NC1CC1 ZINC000675538729 1075196300 /nfs/dbraw/zinc/19/63/00/1075196300.db2.gz NGWDMVYMOMNXAM-KRWDZBQOSA-N 0 3 423.535 1.119 20 0 HDADHN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000675540954 1075196942 /nfs/dbraw/zinc/19/69/42/1075196942.db2.gz GIXROCBLBULNIF-XJKSGUPXSA-N 0 3 415.943 1.376 20 0 HDADHN COC[C@@H](C)n1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)n1 ZINC000446915289 1075219232 /nfs/dbraw/zinc/21/92/32/1075219232.db2.gz UPCCNJHMHKELBN-OAHLLOKOSA-N 0 3 405.474 1.759 20 0 HDADHN CN1CCN(CCCNC(=O)N2CCN3CCOC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000543640952 1075242472 /nfs/dbraw/zinc/24/24/72/1075242472.db2.gz CCOHJFBYBSFVBS-RTWAWAEBSA-N 0 3 401.555 1.091 20 0 HDADHN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)NCCN2CCC(OC)CC2)c1 ZINC000675699034 1075260503 /nfs/dbraw/zinc/26/05/03/1075260503.db2.gz PDIQZGAHPMGVIZ-HNNXBMFYSA-N 0 3 412.556 1.996 20 0 HDADHN COC(=O)[C@H]1CCN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)[C@H]1C(C)C ZINC000429377251 1075267719 /nfs/dbraw/zinc/26/77/19/1075267719.db2.gz ISMYYAOXDVYMAW-NSHGMRRFSA-N 0 3 402.491 1.632 20 0 HDADHN C[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1)c1cccc(-n2cnnn2)c1 ZINC000675780737 1075267985 /nfs/dbraw/zinc/26/79/85/1075267985.db2.gz NVPKUJCZIFCDCY-CYBMUJFWSA-N 0 3 406.899 1.945 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000675898910 1075288168 /nfs/dbraw/zinc/28/81/68/1075288168.db2.gz RYEQBHJQXRYSMD-KBXCAEBGSA-N 0 3 416.349 1.972 20 0 HDADHN O=C(NCCOc1cccnc1)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000804076189 1075337977 /nfs/dbraw/zinc/33/79/77/1075337977.db2.gz QUMIYGXZLQXBME-UHFFFAOYSA-N 0 3 414.428 1.498 20 0 HDADHN COCC(=O)N1CCc2c1cccc2NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000543653700 1075338787 /nfs/dbraw/zinc/33/87/87/1075338787.db2.gz VRAXSWTXJPVVJY-MRXNPFEDSA-N 0 3 403.527 1.227 20 0 HDADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cccc(-n3ccnn3)c2)C1 ZINC000676097829 1075361691 /nfs/dbraw/zinc/36/16/91/1075361691.db2.gz VTZPKWLPJBRWDK-FQEVSTJZSA-N 0 3 404.474 1.939 20 0 HDADHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000804087439 1075377982 /nfs/dbraw/zinc/37/79/82/1075377982.db2.gz JLHMAKKSYMQTGD-BBWFWOEESA-N 0 3 408.543 1.539 20 0 HDADHN C[C@]1(n2cc(CN[C@H](CO)Cc3c[nH]c4ccccc34)cn2)CCS(=O)(=O)C1 ZINC000676199565 1075434495 /nfs/dbraw/zinc/43/44/95/1075434495.db2.gz ILVATBNHFWKHNL-PXNSSMCTSA-N 0 3 402.520 1.591 20 0 HDADHN Cc1cn(-c2ncccc2F)nc1NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000448332385 1075437115 /nfs/dbraw/zinc/43/71/15/1075437115.db2.gz YOAWSHVDFVZYKO-JOCHJYFZSA-N 0 3 424.480 2.473 20 0 HDADHN Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000544159623 1075448294 /nfs/dbraw/zinc/44/82/94/1075448294.db2.gz RNVMLLAIGRBELD-MRXNPFEDSA-N 0 3 404.559 1.635 20 0 HDADHN C[C@@H]1CN(C(=O)NC2CCN(c3nccs3)CC2)CC[C@H]1N1CCN(C)CC1 ZINC000466721486 1075452611 /nfs/dbraw/zinc/45/26/11/1075452611.db2.gz YUAUXTJXFFVXKP-SJLPKXTDSA-N 0 3 406.600 1.779 20 0 HDADHN CC[C@H](C)n1nc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1C ZINC000487684637 1075490301 /nfs/dbraw/zinc/49/03/01/1075490301.db2.gz MOJBUDVZJBTSOQ-HNAYVOBHSA-N 0 3 413.522 1.636 20 0 HDADHN Cc1nc(NCCCCN2CCN(Cc3ccccc3)CC2)sc1S(N)(=O)=O ZINC000580584836 1075494385 /nfs/dbraw/zinc/49/43/85/1075494385.db2.gz VVEJIUUTYGDKFK-UHFFFAOYSA-N 0 3 423.608 2.109 20 0 HDADHN CC[C@@H](CNC(=O)N1CCN(CC(=O)N(C)C)CC1)N1CCc2ccccc2C1 ZINC000676290488 1075495251 /nfs/dbraw/zinc/49/52/51/1075495251.db2.gz ZKPFSACYNGNVET-FQEVSTJZSA-N 0 3 401.555 1.239 20 0 HDADHN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000676341626 1075515171 /nfs/dbraw/zinc/51/51/71/1075515171.db2.gz BDVTVXYEBUIZAT-ZDUSSCGKSA-N 0 3 406.874 1.307 20 0 HDADHN Cc1c(C(=O)N2CCN([C@@H]3CCOC3)CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000676341826 1075515186 /nfs/dbraw/zinc/51/51/86/1075515186.db2.gz VZEMAAOGJLVPRK-GOSISDBHSA-N 0 3 410.522 1.110 20 0 HDADHN O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676345208 1075517567 /nfs/dbraw/zinc/51/75/67/1075517567.db2.gz MKJUFQPSIDFXTJ-LJQANCHMSA-N 0 3 421.563 1.429 20 0 HDADHN COc1cc(OC)cc(N2C[C@H](C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC2=O)c1 ZINC000676344568 1075518757 /nfs/dbraw/zinc/51/87/57/1075518757.db2.gz PJANQMHOTFCZKW-NVXWUHKLSA-N 0 3 417.506 1.426 20 0 HDADHN COc1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)ccc1OCC(=O)NC(C)C ZINC000676345377 1075519435 /nfs/dbraw/zinc/51/94/35/1075519435.db2.gz ZMFUQOGQSRUFAP-SFHVURJKSA-N 0 3 419.522 1.582 20 0 HDADHN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000731781352 1075522629 /nfs/dbraw/zinc/52/26/29/1075522629.db2.gz SBAVRCYFBIXHOT-UHFFFAOYSA-N 0 3 423.560 1.951 20 0 HDADHN COc1cnccc1N1CCN(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)CC1 ZINC000571710375 1075522939 /nfs/dbraw/zinc/52/29/39/1075522939.db2.gz YJZYAJULZYPDTA-UHFFFAOYSA-N 0 3 420.473 1.622 20 0 HDADHN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)c1 ZINC000543672302 1075524892 /nfs/dbraw/zinc/52/48/92/1075524892.db2.gz AGDSDRLVDULQFK-CYBMUJFWSA-N 0 3 412.508 1.611 20 0 HDADHN C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCC(=O)NCC(=O)N1CCCC1 ZINC000731847564 1075530674 /nfs/dbraw/zinc/53/06/74/1075530674.db2.gz WKLTXRBYNYBFQJ-HRAATJIYSA-N 0 3 410.559 1.788 20 0 HDADHN CC[C@@H](C)Oc1cc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1OC ZINC000676417390 1075548694 /nfs/dbraw/zinc/54/86/94/1075548694.db2.gz BTUIHJACYTXDCG-MJGOQNOKSA-N 0 3 405.539 1.895 20 0 HDADHN CN(C)C(=O)Nc1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c(Cl)c1 ZINC000676446550 1075556207 /nfs/dbraw/zinc/55/62/07/1075556207.db2.gz SOODWKALIYSUHK-KRWDZBQOSA-N 0 3 421.929 1.988 20 0 HDADHN C[C@H](CC(=O)N1CCN(C2CCCC2)CC1)NS(=O)(=O)c1cccnc1Cl ZINC000731895368 1075560390 /nfs/dbraw/zinc/56/03/90/1075560390.db2.gz PBILFTHVBALPEZ-CQSZACIVSA-N 0 3 414.959 1.879 20 0 HDADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000546740401 1075567399 /nfs/dbraw/zinc/56/73/99/1075567399.db2.gz HIFNHGOHLWKJKU-AWEZNQCLSA-N 0 3 406.531 2.416 20 0 HDADHN CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)CCO2 ZINC000676523254 1075573975 /nfs/dbraw/zinc/57/39/75/1075573975.db2.gz WRCLCIMUPTUHJV-HKUYNNGSSA-N 0 3 419.522 1.594 20 0 HDADHN CN(C)[C@H](CNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)Cc1ccccc1 ZINC000676544450 1075581302 /nfs/dbraw/zinc/58/13/02/1075581302.db2.gz GUBIKQUOJNTPEN-FQEVSTJZSA-N 0 3 406.490 1.554 20 0 HDADHN CN(C(=O)C(=O)Nc1cc2n(n1)CCCC2)C1CCN(CCc2ccccn2)CC1 ZINC000500239504 1075584423 /nfs/dbraw/zinc/58/44/23/1075584423.db2.gz YJAXGGPBCNLZKU-UHFFFAOYSA-N 0 3 410.522 1.718 20 0 HDADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676554046 1075587047 /nfs/dbraw/zinc/58/70/47/1075587047.db2.gz QHTMTAJEKXBQDH-UHFFFAOYSA-N 0 3 412.519 1.917 20 0 HDADHN COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)CC1 ZINC000676550084 1075597031 /nfs/dbraw/zinc/59/70/31/1075597031.db2.gz KDRULQLCFAZPSV-UHFFFAOYSA-N 0 3 414.510 1.271 20 0 HDADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)CNC(=O)OCC(F)(F)F)cc21 ZINC000732063955 1075599910 /nfs/dbraw/zinc/59/99/10/1075599910.db2.gz QBOFHXBNWPWGDA-UHFFFAOYSA-N 0 3 404.345 1.383 20 0 HDADHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC000429102931 1075600260 /nfs/dbraw/zinc/60/02/60/1075600260.db2.gz MFPRWYZNDCJQSX-HOCLYGCPSA-N 0 3 422.489 2.334 20 0 HDADHN CN(Cc1ccc(C(=O)NC2CC2)cc1)C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000676634225 1075626164 /nfs/dbraw/zinc/62/61/64/1075626164.db2.gz XVKQHIHJSLLYHS-FQEVSTJZSA-N 0 3 422.485 1.888 20 0 HDADHN CCOc1ccc(N2C[C@@H](C(=O)N(C)CCCN3CCN(C)CC3)CC2=O)cc1 ZINC000732115254 1075628219 /nfs/dbraw/zinc/62/82/19/1075628219.db2.gz VWWLJPSLYGJLQT-SFHVURJKSA-N 0 3 402.539 1.534 20 0 HDADHN CCOc1ccc(N2C[C@H](C(=O)N(C)CCCN3CCN(C)CC3)CC2=O)cc1 ZINC000732115253 1075628224 /nfs/dbraw/zinc/62/82/24/1075628224.db2.gz VWWLJPSLYGJLQT-GOSISDBHSA-N 0 3 402.539 1.534 20 0 HDADHN C[C@H](CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O)N(C)Cc1ccccc1 ZINC000732133990 1075632719 /nfs/dbraw/zinc/63/27/19/1075632719.db2.gz KMHRPTWFTOPGAK-OAHLLOKOSA-N 0 3 401.488 1.468 20 0 HDADHN C[C@@]1(CC(=O)NCCNC(c2ccccc2)c2ccccc2)CCS(=O)(=O)N1 ZINC001649127263 1075637647 /nfs/dbraw/zinc/63/76/47/1075637647.db2.gz LMQAQVRBOZGLOB-NRFANRHFSA-N 0 3 401.532 1.954 20 0 HDADHN COc1ccccc1Nc1nc(N)nc(CN2CCN(CC3CCOCC3)CC2)n1 ZINC000532571420 1075641399 /nfs/dbraw/zinc/64/13/99/1075641399.db2.gz MQSRREHDBTYQMB-UHFFFAOYSA-N 0 3 413.526 1.172 20 0 HDADHN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)[C@H]3CN4CCC3CC4)C2=O)cc1 ZINC000732159523 1075641808 /nfs/dbraw/zinc/64/18/08/1075641808.db2.gz HYWCMOIHZQJXCV-LAUBAEHRSA-N 0 3 400.479 1.015 20 0 HDADHN CN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)[C@H]1CN2CCC1CC2 ZINC000732160337 1075642178 /nfs/dbraw/zinc/64/21/78/1075642178.db2.gz ORGHVSSTSWFCPK-ROUUACIJSA-N 0 3 402.495 1.100 20 0 HDADHN NS(=O)(=O)c1ccc(CCN(CCO)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000732204781 1075676194 /nfs/dbraw/zinc/67/61/94/1075676194.db2.gz RXDJIOYBUVKSFZ-UHFFFAOYSA-N 0 3 414.531 1.616 20 0 HDADHN CCc1ccccc1Nc1nc(N)nc(CN2CC[C@@H](N3CCN(CC)CC3)C2)n1 ZINC000471157991 1075685543 /nfs/dbraw/zinc/68/55/43/1075685543.db2.gz AVHLZTLPOYUVLJ-GOSISDBHSA-N 0 3 410.570 1.394 20 0 HDADHN CCO[C@H]1C[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)C12CCCCC2 ZINC000429464428 1075693094 /nfs/dbraw/zinc/69/30/94/1075693094.db2.gz VXUYCXIUPGQNCP-PMACEKPBSA-N 0 3 410.603 1.804 20 0 HDADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000486225694 1075698810 /nfs/dbraw/zinc/69/88/10/1075698810.db2.gz LLPXMWVGUYMXKV-DNVCBOLYSA-N 0 3 409.538 1.522 20 0 HDADHN Cn1c2cc(CN3CC[C@@H]4CCN(C(=O)[C@@H]5C[C@@H]6O[C@H]5[C@H]5C[C@H]56)C[C@@H]43)ccc2oc1=O ZINC001084993074 1075699211 /nfs/dbraw/zinc/69/92/11/1075699211.db2.gz KJWRTJSLAAAMFD-PWXSHGHYSA-N 0 3 423.513 1.978 20 0 HDADHN Cc1cccc(N2CCN(CCCCNC(=O)NCCc3nc(N)no3)CC2)c1 ZINC000437939463 1075715131 /nfs/dbraw/zinc/71/51/31/1075715131.db2.gz ZDGWWBAZWPZEDL-UHFFFAOYSA-N 0 3 401.515 1.404 20 0 HDADHN Cn1nc(NC(=O)C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1C1CC1 ZINC000582755754 1075726980 /nfs/dbraw/zinc/72/69/80/1075726980.db2.gz LFXJHAASWUPRLA-UHFFFAOYSA-N 0 3 409.534 2.403 20 0 HDADHN CC(C)(C)n1cnc(NC(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)n1 ZINC000541400484 1075788595 /nfs/dbraw/zinc/78/85/95/1075788595.db2.gz DKHWSZCFTHECRH-UHFFFAOYSA-N 0 3 408.572 1.840 20 0 HDADHN CN(C)Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c1 ZINC000509275183 1075798775 /nfs/dbraw/zinc/79/87/75/1075798775.db2.gz RRQUDCWVPPDRDU-SJORKVTESA-N 0 3 413.478 1.984 20 0 HDADHN O=S1(=O)CCC(NCc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000463191711 1075801347 /nfs/dbraw/zinc/80/13/47/1075801347.db2.gz NPRZJMDXWHEUJJ-UHFFFAOYSA-N 0 3 403.342 1.953 20 0 HDADHN C[C@H]1CN(CC2CCN(C(=O)C(=O)Nc3nnc(C(C)(C)C)s3)CC2)C[C@H](C)O1 ZINC000588734899 1075808629 /nfs/dbraw/zinc/80/86/29/1075808629.db2.gz SGHAKRNYIRFPHM-KBPBESRZSA-N 0 3 423.583 2.122 20 0 HDADHN CCN(CC)C(=O)CN1CCCN(CCc2c(C)nc3sccn3c2=O)CC1 ZINC000509278611 1075813088 /nfs/dbraw/zinc/81/30/88/1075813088.db2.gz IGKKOYORNASPOG-UHFFFAOYSA-N 0 3 405.568 1.483 20 0 HDADHN COC(=O)c1c(C)cccc1S(=O)(=O)NC1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000611026885 1075813562 /nfs/dbraw/zinc/81/35/62/1075813562.db2.gz YMCCITZONLVTPQ-DLBZAZTESA-N 0 3 410.536 1.828 20 0 HDADHN COC(=O)C1CCN(CCCNC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CC1 ZINC000732655523 1075817983 /nfs/dbraw/zinc/81/79/83/1075817983.db2.gz UHOCLINFKCCMSW-SFHVURJKSA-N 0 3 409.433 1.849 20 0 HDADHN CS[C@H]1CN(C(=O)[C@@H](NS(=O)(=O)c2ccccc2F)C(C)C)C[C@H]1N(C)C ZINC000611165452 1075865675 /nfs/dbraw/zinc/86/56/75/1075865675.db2.gz OWHJBSHTVKEOID-VYDXJSESSA-N 0 3 417.572 1.633 20 0 HDADHN O=C(CNC(=O)OCC(F)(F)F)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000732780760 1075865747 /nfs/dbraw/zinc/86/57/47/1075865747.db2.gz TWBWZIHWAFOMRC-UHFFFAOYSA-N 0 3 416.400 1.739 20 0 HDADHN COC(=O)c1nscc1S(=O)(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000611167786 1075866396 /nfs/dbraw/zinc/86/63/96/1075866396.db2.gz YYLGBGMQBHIEGY-UHFFFAOYSA-N 0 3 416.569 1.109 20 0 HDADHN COC(=O)c1csc(NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)c1C ZINC000611459231 1075940711 /nfs/dbraw/zinc/94/07/11/1075940711.db2.gz HVQYTENNTCSZEB-UHFFFAOYSA-N 0 3 415.515 1.997 20 0 HDADHN Cc1cc(NC(=O)C(=O)N2CCCN(C(C)C)CC2)ccc1N1C(=O)CCC1=O ZINC000733047169 1075954126 /nfs/dbraw/zinc/95/41/26/1075954126.db2.gz HAAUCFCKVDPAQK-UHFFFAOYSA-N 0 3 400.479 1.530 20 0 HDADHN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000733150786 1075985884 /nfs/dbraw/zinc/98/58/84/1075985884.db2.gz UYRSWUJEAPPSLF-MRXNPFEDSA-N 0 3 403.527 1.380 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC1 ZINC000733170755 1076000560 /nfs/dbraw/zinc/00/05/60/1076000560.db2.gz RQDVEATVEFYMIC-CVEARBPZSA-N 0 3 400.589 1.686 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)CC1 ZINC000733170474 1076001100 /nfs/dbraw/zinc/00/11/00/1076001100.db2.gz NKIVYSGECHKPGW-HNNXBMFYSA-N 0 3 414.547 1.079 20 0 HDADHN COC(=O)CCN(CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O)C(C)C ZINC000733185383 1076012485 /nfs/dbraw/zinc/01/24/85/1076012485.db2.gz YWXPRMDFGNVREB-QFIPXVFZSA-N 0 3 416.522 1.804 20 0 HDADHN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)C2)no1 ZINC000514015419 1076015172 /nfs/dbraw/zinc/01/51/72/1076015172.db2.gz KJHBIAHWGPCUKX-KBRIMQKVSA-N 0 3 404.515 1.247 20 0 HDADHN O=C(N[C@H](Cc1cccnc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1 ZINC000733256099 1076024457 /nfs/dbraw/zinc/02/44/57/1076024457.db2.gz CKWXXYVHCGPXAG-PCCBWWKXSA-N 0 3 408.502 1.402 20 0 HDADHN CC[C@@H](CO)NCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC ZINC000727057808 1076034821 /nfs/dbraw/zinc/03/48/21/1076034821.db2.gz IVFIXHIJVMYFAD-HNNXBMFYSA-N 0 3 413.540 1.559 20 0 HDADHN CN1CCN(Cc2ccc(CNC(=O)NCCS(=O)(=O)C(C)(C)C)cc2)CC1 ZINC000733340717 1076046485 /nfs/dbraw/zinc/04/64/85/1076046485.db2.gz OYDDHWJGSHWIPR-UHFFFAOYSA-N 0 3 410.584 1.447 20 0 HDADHN COCCC[NH+]1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)CC1 ZINC000727105488 1076052064 /nfs/dbraw/zinc/05/20/64/1076052064.db2.gz FTACDZMYSVIPQR-UHFFFAOYSA-N 0 3 415.531 1.743 20 0 HDADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NCc1cccc(S(C)(=O)=O)c1 ZINC001082652185 1076061684 /nfs/dbraw/zinc/06/16/84/1076061684.db2.gz JWJHEUSGCSKNEL-XVCYEZIBSA-N 0 3 404.532 1.450 20 0 HDADHN C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1NCc1cc(=O)[nH]c(C2CC2)n1 ZINC001082657935 1076062165 /nfs/dbraw/zinc/06/21/65/1076062165.db2.gz DFUHRCLTAZTKLP-VQWWJCQQSA-N 0 3 402.495 1.048 20 0 HDADHN CN(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000727161445 1076072556 /nfs/dbraw/zinc/07/25/56/1076072556.db2.gz YULIMMJQJLUUBE-UHFFFAOYSA-N 0 3 417.535 1.900 20 0 HDADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)COC[C@H]2CCCO2)CC1 ZINC000733594624 1076121327 /nfs/dbraw/zinc/12/13/27/1076121327.db2.gz GISURWIQFILTBX-HXUWFJFHSA-N 0 3 404.507 1.768 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N(CCCN1CCOCC1)Cc1ccncc1 ZINC000733648367 1076140264 /nfs/dbraw/zinc/14/02/64/1076140264.db2.gz IFEHMSWIEPFXJA-LEWJYISDSA-N 0 3 417.554 1.179 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@@H](C)CS(=O)(=O)CC)cc2)CC1 ZINC000733671039 1076153335 /nfs/dbraw/zinc/15/33/35/1076153335.db2.gz SBDRICCMYIYWLJ-INIZCTEOSA-N 0 3 424.567 1.049 20 0 HDADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](OC)C(F)(F)F)cc2)CC1 ZINC000733675362 1076157425 /nfs/dbraw/zinc/15/74/25/1076157425.db2.gz XYNYYFPXJXSXES-INIZCTEOSA-N 0 3 416.444 1.456 20 0 HDADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(F)c(NC(=O)OC)c2)CC1 ZINC000727610353 1076180471 /nfs/dbraw/zinc/18/04/71/1076180471.db2.gz KPGFZFQPVSFEFD-UHFFFAOYSA-N 0 3 409.462 1.086 20 0 HDADHN CC(C)(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000527204356 1076197732 /nfs/dbraw/zinc/19/77/32/1076197732.db2.gz VSTDEUZBCIMGNO-MRXNPFEDSA-N 0 3 407.536 1.894 20 0 HDADHN COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN([C@H](C)C3CC3)C3CC3)C2=O)c1 ZINC000733793693 1076201885 /nfs/dbraw/zinc/20/18/85/1076201885.db2.gz RRLCXHOVFQCBBO-ASSNKEHSSA-N 0 3 400.479 1.756 20 0 HDADHN O=C([C@H]1CN2CCN1CCC2)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000536532029 1076256692 /nfs/dbraw/zinc/25/66/92/1076256692.db2.gz NAQFTIALLFFVMQ-GOEBONIOSA-N 0 3 422.455 1.844 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000727860151 1076274728 /nfs/dbraw/zinc/27/47/28/1076274728.db2.gz TYWJUIHANNBCEK-CYBMUJFWSA-N 0 3 408.300 1.870 20 0 HDADHN CCS(=O)(=O)CCNC(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000727939053 1076291530 /nfs/dbraw/zinc/29/15/30/1076291530.db2.gz RKXMZCSGGKVZEE-UHFFFAOYSA-N 0 3 410.584 1.631 20 0 HDADHN COCCN(C)CCOc1cccc(CNC(=O)N2CCC(C3OCCO3)CC2)c1 ZINC000727944352 1076292549 /nfs/dbraw/zinc/29/25/49/1076292549.db2.gz NDZFLRNVXVGIEN-UHFFFAOYSA-N 0 3 421.538 1.938 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@@H](C)C1 ZINC000728135398 1076340021 /nfs/dbraw/zinc/34/00/21/1076340021.db2.gz IYRRKDRROCQSEI-HZPDHXFCSA-N 0 3 406.502 1.837 20 0 HDADHN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCCN(Cc2ccccc2)CC1 ZINC000024612695 1076345755 /nfs/dbraw/zinc/34/57/55/1076345755.db2.gz URECHLOKLAGZSR-UHFFFAOYSA-N 0 3 406.486 1.814 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000730219282 1076481336 /nfs/dbraw/zinc/48/13/36/1076481336.db2.gz YIBSSCRUSBSSPD-VQTJNVASSA-N 0 3 412.534 1.622 20 0 HDADHN C[C@H](O)[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000730261349 1076503250 /nfs/dbraw/zinc/50/32/50/1076503250.db2.gz IBCBEILLLJLMLL-QKBHPVBBSA-N 0 3 421.563 1.367 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)CC1 ZINC000730281166 1076512097 /nfs/dbraw/zinc/51/20/97/1076512097.db2.gz DPQDJBVYOUAABC-GOSISDBHSA-N 0 3 414.506 1.133 20 0 HDADHN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000730276668 1076519018 /nfs/dbraw/zinc/51/90/18/1076519018.db2.gz QGXSAEPJTWQFPB-UHFFFAOYSA-N 0 3 417.579 1.899 20 0 HDADHN CCCN(C)CC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000730279206 1076520435 /nfs/dbraw/zinc/52/04/35/1076520435.db2.gz LECCBMRDSJUSHM-QGZVFWFLSA-N 0 3 410.559 1.646 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000730538869 1076585387 /nfs/dbraw/zinc/58/53/87/1076585387.db2.gz ASYBAIWGOLUWFF-SLFFLAALSA-N 0 3 421.563 1.208 20 0 HDADHN O=C(Nc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000730918026 1076691470 /nfs/dbraw/zinc/69/14/70/1076691470.db2.gz BMYHUHKOFHUHSI-KRWDZBQOSA-N 0 3 404.486 1.688 20 0 HDADHN NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN/C=C3/C(=O)[N-]C(=O)c4ccccc43)c2)C1 ZINC000730996165 1076706924 /nfs/dbraw/zinc/70/69/24/1076706924.db2.gz PAADTRDFOPZOQK-LANLRWRYSA-N 0 3 418.497 1.785 20 0 HDADHN NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN/C=C3/C(=O)[N-]C(=O)c4ccccc43)c2)C1 ZINC000730996165 1076706930 /nfs/dbraw/zinc/70/69/30/1076706930.db2.gz PAADTRDFOPZOQK-LANLRWRYSA-N 0 3 418.497 1.785 20 0 HDADHN COc1ccccc1C[C@@](C)(CO)NCc1c(C)nn(CCS(C)(=O)=O)c1C ZINC001560102101 1126208170 /nfs/dbraw/zinc/20/81/70/1126208170.db2.gz DOVBAXVRFGWQBN-FQEVSTJZSA-N 0 3 409.552 1.636 20 0 HDADHN Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@H]4NCCO[C@H]4C3)c2c1C ZINC001164389406 718824540 /nfs/dbraw/zinc/82/45/40/718824540.db2.gz IGMMMGAYMIJRQY-CVEARBPZSA-N 0 3 403.552 1.707 20 0 HDADHN CNC(=O)CN1CCCC12CCN(c1nc3ccccc3nc1N1CCOCC1)CC2 ZINC001164687452 719718206 /nfs/dbraw/zinc/71/82/06/719718206.db2.gz XOWQPMASVSUDSQ-UHFFFAOYSA-N 0 3 424.549 1.647 20 0 HDADHN CNC(=O)CN1CCCC12CCN(c1cc(C(=O)N(C)OC)cc(Cl)n1)CC2 ZINC001164686777 719723628 /nfs/dbraw/zinc/72/36/28/719723628.db2.gz SEIMTPBZNBZGKF-UHFFFAOYSA-N 0 3 409.918 1.549 20 0 HDADHN CN(C)Cc1ccnc(N2CC[C@@H]3C[C@H](C(=O)NCCc4ccccn4)O[C@@H]3C2)c1 ZINC001164701508 719820198 /nfs/dbraw/zinc/82/01/98/719820198.db2.gz PMQLAUNLSCJLBJ-HMXCVIKNSA-N 0 3 409.534 1.881 20 0 HDADHN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(CN2CCCC2)cn1 ZINC001164702335 719867529 /nfs/dbraw/zinc/86/75/29/719867529.db2.gz ILACOSYXRMXEND-KNQAVFIVSA-N 0 3 402.539 1.910 20 0 HDADHN CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@H](CCN2c2ccc(CN3CCCC3)cn2)O1 ZINC001164723139 720323354 /nfs/dbraw/zinc/32/33/54/720323354.db2.gz HAVATZFTYVDRBQ-ZCNNSNEGSA-N 0 3 402.539 1.909 20 0 HDADHN c1cncc(CN2CC[C@H]3[C@H]2CCN3c2nc(N3CCOCC3)nc3c2CCN3)c1 ZINC001164721341 720360648 /nfs/dbraw/zinc/36/06/48/720360648.db2.gz BTHIJHWJLSNXRT-MOPGFXCFSA-N 0 3 407.522 1.529 20 0 HDADHN COc1cc2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2cc1OC ZINC001164743645 720644039 /nfs/dbraw/zinc/64/40/39/720644039.db2.gz PXEWSKUNXAWTQI-GJZGRUSLSA-N 0 3 408.462 1.779 20 0 HDADHN Cc1cc(NC(=O)c2cccnc2N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)no1 ZINC001164743430 720756213 /nfs/dbraw/zinc/75/62/13/720756213.db2.gz QBZBCVIGIAJPHJ-JKSUJKDBSA-N 0 3 421.461 1.762 20 0 HDADHN COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1ccc(CN2CCCC2)cn1 ZINC001164757395 721024806 /nfs/dbraw/zinc/02/48/06/721024806.db2.gz DUTBLNLWSOULRX-GOSISDBHSA-N 0 3 408.510 1.705 20 0 HDADHN NC(=O)c1cc(F)c(Cl)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867798 721066398 /nfs/dbraw/zinc/06/63/98/721066398.db2.gz KLRXDRHIOBFZEF-ZIAGYGMSSA-N 0 3 405.861 1.848 20 0 HDADHN COC(=O)c1cc2cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2n1C ZINC001164871517 721134751 /nfs/dbraw/zinc/13/47/51/721134751.db2.gz FFKCRHWOBZDWNZ-MSOLQXFVSA-N 0 3 422.489 1.630 20 0 HDADHN COC(=O)CSc1cncc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164879880 721160572 /nfs/dbraw/zinc/16/05/72/721160572.db2.gz UYPNALMRWUPYMP-DLBZAZTESA-N 0 3 415.519 1.616 20 0 HDADHN COC(=O)CSc1cncc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164879881 721161681 /nfs/dbraw/zinc/16/16/81/721161681.db2.gz UYPNALMRWUPYMP-IAGOWNOFSA-N 0 3 415.519 1.616 20 0 HDADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc(N5CCCC5)n4)C3)O2)CC1 ZINC001164888050 721379154 /nfs/dbraw/zinc/37/91/54/721379154.db2.gz JFAHCIVMJISXFP-DENIHFKCSA-N 0 3 400.571 1.842 20 0 HDADHN CCOC(=O)Cc1cccnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164884966 721390627 /nfs/dbraw/zinc/39/06/27/721390627.db2.gz BEYSDCUSHDAFPR-NZQKXSOJSA-N 0 3 416.566 1.953 20 0 HDADHN C[C@@H]1C(=O)Nc2cnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2N1C ZINC001164907130 721536983 /nfs/dbraw/zinc/53/69/83/721536983.db2.gz MFPLIPYHNLSPRD-KMFMINBZSA-N 0 3 412.469 1.734 20 0 HDADHN CCc1cc(N2CCCC23CCN(CC(=O)N(C)C)CC3)nc(N2CCOCC2)n1 ZINC001165010006 721741751 /nfs/dbraw/zinc/74/17/51/721741751.db2.gz KQXDGLRUOAWWKS-UHFFFAOYSA-N 0 3 416.570 1.399 20 0 HDADHN O=C([C@@H]1C[C@]2(CO1)CCCN(c1ccc(CN3CCCC3)cn1)C2)N1CCOCC1 ZINC001165023707 721777140 /nfs/dbraw/zinc/77/71/40/721777140.db2.gz TZEPZEQZQIKTJU-NZQKXSOJSA-N 0 3 414.550 1.912 20 0 HDADHN CC1(C)C(=O)Nc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164979678 722137206 /nfs/dbraw/zinc/13/72/06/722137206.db2.gz LSOLBWBAHKUSFN-SJORKVTESA-N 0 3 408.506 1.829 20 0 HDADHN c1ncn(Cc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2)n1 ZINC001164977028 722141673 /nfs/dbraw/zinc/14/16/73/722141673.db2.gz HUCUWBQSJIDWBK-NHCUHLMSSA-N 0 3 405.506 1.844 20 0 HDADHN O=c1ccccn1-c1nccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984173 722145810 /nfs/dbraw/zinc/14/58/10/722145810.db2.gz VZGLUORVFBXXCA-VQTJNVASSA-N 0 3 418.501 1.750 20 0 HDADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000429044446 1073456799 /nfs/dbraw/zinc/45/67/99/1073456799.db2.gz UIZMCLQOOJSHKV-SIKLNZKXSA-N 0 3 400.523 1.589 20 0 HDADHN O=C(CCNS(=O)(=O)c1ccccc1F)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000625189615 1073555594 /nfs/dbraw/zinc/55/55/94/1073555594.db2.gz NEZJKYYNWPYGCO-MRXNPFEDSA-N 0 3 413.515 1.207 20 0 HDADHN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000625185612 1073564096 /nfs/dbraw/zinc/56/40/96/1073564096.db2.gz SPVGADLYAZPLGR-CYBMUJFWSA-N 0 3 421.972 1.393 20 0 HDADHN C[C@H](NCCOC[C@H]1CCCO1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766015923 1073599423 /nfs/dbraw/zinc/59/94/23/1073599423.db2.gz WIYILTMYRNQEIM-WMLDXEAASA-N 0 3 420.553 1.258 20 0 HDADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCCC1 ZINC000673666772 1073620311 /nfs/dbraw/zinc/62/03/11/1073620311.db2.gz IIXRKOGBNIISPB-INIZCTEOSA-N 0 3 410.540 1.483 20 0 HDADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCCC1 ZINC000673666772 1073620313 /nfs/dbraw/zinc/62/03/13/1073620313.db2.gz IIXRKOGBNIISPB-INIZCTEOSA-N 0 3 410.540 1.483 20 0 HDADHN C[C@H]1C[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C(=O)N1c1cnn(C)c1 ZINC000673684611 1073639632 /nfs/dbraw/zinc/63/96/32/1073639632.db2.gz BEILJMOPHFZHAS-FXAWDEMLSA-N 0 3 410.522 1.242 20 0 HDADHN C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000673713580 1073652823 /nfs/dbraw/zinc/65/28/23/1073652823.db2.gz DZQPQDDOUPSJIP-APWZRJJASA-N 0 3 416.547 1.867 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1 ZINC000429117892 1073672333 /nfs/dbraw/zinc/67/23/33/1073672333.db2.gz WABYNNNOZMSZOH-MRXNPFEDSA-N 0 3 405.543 1.792 20 0 HDADHN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000673757832 1073696777 /nfs/dbraw/zinc/69/67/77/1073696777.db2.gz HERFFHITTCVVGB-OAHLLOKOSA-N 0 3 407.522 1.989 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000673758734 1073698236 /nfs/dbraw/zinc/69/82/36/1073698236.db2.gz SIEJWRLHOIGARG-KRWDZBQOSA-N 0 3 416.547 1.869 20 0 HDADHN CN(CCN1CCN(C(=O)[C@H]2CCCN2c2ncccn2)CC1)Cc1ccccc1 ZINC000673835979 1073811498 /nfs/dbraw/zinc/81/14/98/1073811498.db2.gz OCZQZJJFADBUJH-OAQYLSRUSA-N 0 3 408.550 1.722 20 0 HDADHN COc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1[N-]S(C)(=O)=O ZINC000673860830 1073829088 /nfs/dbraw/zinc/82/90/88/1073829088.db2.gz YNGIOCUGQVFPFQ-CVEARBPZSA-N 0 3 412.512 1.130 20 0 HDADHN Cc1c(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)nnn1-c1cccc2c1CCN(C)C2 ZINC000673935791 1073908520 /nfs/dbraw/zinc/90/85/20/1073908520.db2.gz STWPMLPTSISQIT-UNMCSNQZSA-N 0 3 403.486 1.952 20 0 HDADHN Cc1c(C(=O)NC[C@@H](O)COCC(C)C)nnn1-c1cccc2c1CCN(C)C2 ZINC000673944124 1073918433 /nfs/dbraw/zinc/91/84/33/1073918433.db2.gz FDYVBNYUXKRZQK-QGZVFWFLSA-N 0 3 401.511 1.327 20 0 HDADHN C[C@@H]1CN(CC2CCN(C(=O)NC3CCN(c4cccnn4)CC3)CC2)C[C@@H](C)O1 ZINC000429175638 1073949516 /nfs/dbraw/zinc/94/95/16/1073949516.db2.gz KDMYVETYDAABNX-QZTJIDSGSA-N 0 3 416.570 1.976 20 0 HDADHN C[C@@H]1CN(C[C@H](O)CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000484452958 1074011547 /nfs/dbraw/zinc/01/15/47/1074011547.db2.gz NXQUIFGALMYAOP-DBXWQHBBSA-N 0 3 407.530 1.373 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)N3CC[C@@H](NC(=O)NC)C3)cc2)CC1 ZINC000466584920 1074017026 /nfs/dbraw/zinc/01/70/26/1074017026.db2.gz LTDJBTZCZMECLR-LJQANCHMSA-N 0 3 402.543 1.037 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CC[C@H](NC(=O)NC)C2)CC1 ZINC000466584093 1074030827 /nfs/dbraw/zinc/03/08/27/1074030827.db2.gz JMQFCZIQSDDOQQ-IBGZPJMESA-N 0 3 402.543 1.037 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000509195246 1074047052 /nfs/dbraw/zinc/04/70/52/1074047052.db2.gz NAMGUYYPLMVJLX-UHFFFAOYSA-N 0 3 405.499 1.672 20 0 HDADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000466597675 1074060176 /nfs/dbraw/zinc/06/01/76/1074060176.db2.gz OYSNDKGBZVAZDG-PLACYPQZSA-N 0 3 414.550 1.896 20 0 HDADHN C[C@@H](NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1COc2ccccc21 ZINC000543557068 1074094560 /nfs/dbraw/zinc/09/45/60/1074094560.db2.gz IXNHKIFTXHPXMN-AEFFLSMTSA-N 0 3 402.539 1.200 20 0 HDADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000674039641 1074111928 /nfs/dbraw/zinc/11/19/28/1074111928.db2.gz RTEDLSZBXCSLCE-UHFFFAOYSA-N 0 3 415.538 1.745 20 0 HDADHN O=C(NCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)c1cnccn1 ZINC000509209358 1074132092 /nfs/dbraw/zinc/13/20/92/1074132092.db2.gz GROCYKHCHMRFLU-INIZCTEOSA-N 0 3 403.433 1.480 20 0 HDADHN CC[N@@H+]1CCC[C@H](CNC(=O)C2([N-]S(=O)(=O)c3c(C)noc3C)CCCC2)C1 ZINC000543581486 1074168557 /nfs/dbraw/zinc/16/85/57/1074168557.db2.gz KUROLNUDKPKILQ-MRXNPFEDSA-N 0 3 412.556 1.731 20 0 HDADHN CC[N@H+]1CCC[C@H](CNC(=O)C2([N-]S(=O)(=O)c3c(C)noc3C)CCCC2)C1 ZINC000543581486 1074168560 /nfs/dbraw/zinc/16/85/60/1074168560.db2.gz KUROLNUDKPKILQ-MRXNPFEDSA-N 0 3 412.556 1.731 20 0 HDADHN CCCN1CCN(c2ccc(NC(=O)CC3CS(=O)(=O)C3)c(OCC)c2)CC1 ZINC001128609954 1074183394 /nfs/dbraw/zinc/18/33/94/1074183394.db2.gz BTJRFPRNALGTRD-UHFFFAOYSA-N 0 3 409.552 1.991 20 0 HDADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@@H](CCO)C3)cc2)CC1 ZINC000674205626 1074220892 /nfs/dbraw/zinc/22/08/92/1074220892.db2.gz IXGBZDCCZYTNBJ-SFHVURJKSA-N 0 3 402.539 1.384 20 0 HDADHN COC1CCN(CCNC(=O)CCCNS(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000674310905 1074268565 /nfs/dbraw/zinc/26/85/65/1074268565.db2.gz AEGRTNFXKZSPHJ-UHFFFAOYSA-N 0 3 411.568 1.589 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000674323544 1074273255 /nfs/dbraw/zinc/27/32/55/1074273255.db2.gz FSAYOSFEMPCLBJ-LJQANCHMSA-N 0 3 423.579 1.455 20 0 HDADHN COC1CCN(CCNC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)CC1 ZINC000674324818 1074274386 /nfs/dbraw/zinc/27/43/86/1074274386.db2.gz GUGQWIDRQSSOIM-UHFFFAOYSA-N 0 3 417.550 1.921 20 0 HDADHN COC1CCN(CCNC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000674325443 1074275864 /nfs/dbraw/zinc/27/58/64/1074275864.db2.gz QXHSWNRDNQTHCE-UHFFFAOYSA-N 0 3 409.552 1.287 20 0 HDADHN COC1CCN(CCNC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000674325524 1074275880 /nfs/dbraw/zinc/27/58/80/1074275880.db2.gz VDSNXEBRGZZQPV-UHFFFAOYSA-N 0 3 406.571 1.872 20 0 HDADHN COC1CCN(CCNC(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)CC1 ZINC000674328906 1074278596 /nfs/dbraw/zinc/27/85/96/1074278596.db2.gz SZXNDPNCEZOTLS-NRFANRHFSA-N 0 3 404.555 1.778 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1=O ZINC000674423669 1074326542 /nfs/dbraw/zinc/32/65/42/1074326542.db2.gz ADGIDEOCYTYNEX-HMFYCAOWSA-N 0 3 413.522 1.843 20 0 HDADHN C[C@H](CNC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)N(C)Cc1ccccc1 ZINC000674432032 1074342606 /nfs/dbraw/zinc/34/26/06/1074342606.db2.gz GEQWKDKXGNHVPG-QLVMHMETSA-N 0 3 401.511 1.527 20 0 HDADHN COc1cnccc1N1CCN(C(=O)C(=O)Nc2c(C)cnn2-c2ccccc2)CC1 ZINC000485097012 1074386101 /nfs/dbraw/zinc/38/61/01/1074386101.db2.gz YFDWBDMAWQFFQU-UHFFFAOYSA-N 0 3 420.473 1.872 20 0 HDADHN CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)CCN2C1=O ZINC000674595207 1074474316 /nfs/dbraw/zinc/47/43/16/1074474316.db2.gz TWXGAIZCBYIGEL-AEFFLSMTSA-N 0 3 402.470 1.533 20 0 HDADHN CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCC2(N3CCSCC3)CCCC2)C1=O ZINC000674614663 1074485361 /nfs/dbraw/zinc/48/53/61/1074485361.db2.gz FCXBXNOGVDDZDI-MGPUTAFESA-N 0 3 423.583 1.368 20 0 HDADHN Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 ZINC000674638021 1074497729 /nfs/dbraw/zinc/49/77/29/1074497729.db2.gz BPXRTDGNDKXXMR-XMSQKQJNSA-N 0 3 415.538 1.789 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2c(F)c(F)cc(F)c2F)CC1 ZINC000674645331 1074502948 /nfs/dbraw/zinc/50/29/48/1074502948.db2.gz MVQDXNKGKBQWJI-UHFFFAOYSA-N 0 3 404.408 1.939 20 0 HDADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCC(OCCCO)CC2)CC1 ZINC000674914142 1074612507 /nfs/dbraw/zinc/61/25/07/1074612507.db2.gz LRDHXWYFWLRSET-UHFFFAOYSA-N 0 3 403.567 1.893 20 0 HDADHN CCN1C(=O)[C@H]2CN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CCN2C1=O ZINC000675084169 1074700744 /nfs/dbraw/zinc/70/07/44/1074700744.db2.gz MRFYEBJZQLQEKA-LSDHHAIUSA-N 0 3 405.524 1.563 20 0 HDADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675304896 1074793438 /nfs/dbraw/zinc/79/34/38/1074793438.db2.gz HTKZTVGXKVUBFI-AEFFLSMTSA-N 0 3 420.941 1.942 20 0 HDADHN O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1ccn(CCN2CCOCC2)n1 ZINC000438362352 1074796449 /nfs/dbraw/zinc/79/64/49/1074796449.db2.gz YZXLSARLNQEOJM-QGZVFWFLSA-N 0 3 418.567 2.235 20 0 HDADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c(F)ccc(S(=O)(=O)[N-]C4CC4)c3F)CC[C@@H]21 ZINC000766114328 1074821103 /nfs/dbraw/zinc/82/11/03/1074821103.db2.gz SLVHBECDDFHEAJ-DOMZBBRYSA-N 0 3 413.490 1.962 20 0 HDADHN C[N@H+]1CCC[C@@H]2CN(C(=O)c3c(F)ccc(S(=O)(=O)[N-]C4CC4)c3F)CC[C@@H]21 ZINC000766114328 1074821107 /nfs/dbraw/zinc/82/11/07/1074821107.db2.gz SLVHBECDDFHEAJ-DOMZBBRYSA-N 0 3 413.490 1.962 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000041665027 1075121120 /nfs/dbraw/zinc/12/11/20/1075121120.db2.gz UFJKDLFHMOJZLT-UHFFFAOYSA-N 0 3 405.506 1.730 20 0 HDADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cc(N2CCNC(=O)C2)ccn1 ZINC000429341953 1075129999 /nfs/dbraw/zinc/12/99/99/1075129999.db2.gz UDNIRHQUYGODQC-HXUWFJFHSA-N 0 3 423.517 1.039 20 0 HDADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000675413093 1075137068 /nfs/dbraw/zinc/13/70/68/1075137068.db2.gz KJVFHTFIGIFOTE-INIZCTEOSA-N 0 3 410.877 1.255 20 0 HDADHN CC[C@@]1(C)NC(=O)N(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1=O ZINC000429345345 1075145180 /nfs/dbraw/zinc/14/51/80/1075145180.db2.gz CNBNTELRQQOLCY-LAUBAEHRSA-N 0 3 402.495 1.114 20 0 HDADHN COc1cc(C(=O)NCC(=O)NCc2ccccc2CN(C)C)cc(OC)c1OC ZINC000009917398 1075149941 /nfs/dbraw/zinc/14/99/41/1075149941.db2.gz NYTMRVKWQPNAEY-UHFFFAOYSA-N 0 3 415.490 1.820 20 0 HDADHN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCC(CS(C)(=O)=O)CC1 ZINC000429253657 1075151504 /nfs/dbraw/zinc/15/15/04/1075151504.db2.gz KTXBLOATNDNPEL-PXNSSMCTSA-N 0 3 407.580 1.522 20 0 HDADHN CCS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1 ZINC000675469518 1075165044 /nfs/dbraw/zinc/16/50/44/1075165044.db2.gz NNRWNLHAFIIIBB-OAHLLOKOSA-N 0 3 424.544 1.998 20 0 HDADHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c2ccccc2O1 ZINC000675471303 1075165058 /nfs/dbraw/zinc/16/50/58/1075165058.db2.gz YNXFPZDRWFIVFB-ZDUSSCGKSA-N 0 3 415.471 1.430 20 0 HDADHN CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429352414 1075171320 /nfs/dbraw/zinc/17/13/20/1075171320.db2.gz WKKYKNYKJJAJBW-YTQUADARSA-N 0 3 411.568 1.358 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c2ccccc2O1 ZINC000675491000 1075175310 /nfs/dbraw/zinc/17/53/10/1075175310.db2.gz HWUFEXXYFYKIFS-MSOLQXFVSA-N 0 3 407.470 1.861 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c2ccccc2O1 ZINC000675491170 1075175322 /nfs/dbraw/zinc/17/53/22/1075175322.db2.gz XHLYZRANVXISDV-OAHLLOKOSA-N 0 3 400.479 1.597 20 0 HDADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1C[C@@H](CN(C)C)Oc3ccccc31)C2=O ZINC000675491515 1075175580 /nfs/dbraw/zinc/17/55/80/1075175580.db2.gz KSYPWNJYZAKSID-MCFFVMPBSA-N 0 3 414.506 1.843 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)c2ccccc2O1 ZINC000675491775 1075176352 /nfs/dbraw/zinc/17/63/52/1075176352.db2.gz MVIJDYKGCWKQQL-CQSZACIVSA-N 0 3 423.560 1.809 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)c2nc3ncc(Br)cn3n2)c2ccccc2O1 ZINC000675492605 1075176992 /nfs/dbraw/zinc/17/69/92/1075176992.db2.gz WLACRKWTDHSIKL-LBPRGKRZSA-N 0 3 417.267 1.856 20 0 HDADHN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000675511369 1075189869 /nfs/dbraw/zinc/18/98/69/1075189869.db2.gz FSQYRKXFYXDWQY-LSDHHAIUSA-N 0 3 421.494 1.848 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)c2ccccc2O1 ZINC000675512047 1075190653 /nfs/dbraw/zinc/19/06/53/1075190653.db2.gz FIKMJWOZNVHQLK-HNNXBMFYSA-N 0 3 421.457 1.801 20 0 HDADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)C1 ZINC000675514211 1075191789 /nfs/dbraw/zinc/19/17/89/1075191789.db2.gz YQMXHRRZOWCFOW-HXUWFJFHSA-N 0 3 420.513 1.986 20 0 HDADHN CCCCOc1ccc(C(=O)NCC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000675536913 1075194542 /nfs/dbraw/zinc/19/45/42/1075194542.db2.gz PBIJWFWHWGZFEN-LJQANCHMSA-N 0 3 403.523 1.965 20 0 HDADHN COc1ccc(CN2C[C@@H](C(=O)NC3CCN([C@H]4CCOC4)CC3)CC2=O)cc1 ZINC000675538704 1075195893 /nfs/dbraw/zinc/19/58/93/1075195893.db2.gz MCACZQRSVDMKGM-HKUYNNGSSA-N 0 3 401.507 1.413 20 0 HDADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675586615 1075217194 /nfs/dbraw/zinc/21/71/94/1075217194.db2.gz WHECYVGNCJWEJR-FQEVSTJZSA-N 0 3 411.506 1.565 20 0 HDADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000550816078 1075229000 /nfs/dbraw/zinc/22/90/00/1075229000.db2.gz UEDXHOXSKFEWEO-OAHLLOKOSA-N 0 3 420.311 2.174 20 0 HDADHN CCN1CCN(Cc2ccc(CNc3nc(C)c(S(N)(=O)=O)s3)cc2)CC1 ZINC000521072546 1075233022 /nfs/dbraw/zinc/23/30/22/1075233022.db2.gz GLPFXBFVTSWBCM-UHFFFAOYSA-N 0 3 409.581 1.849 20 0 HDADHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000509357688 1075241035 /nfs/dbraw/zinc/24/10/35/1075241035.db2.gz UEURVASIQGDDKP-HNNXBMFYSA-N 0 3 405.586 1.726 20 0 HDADHN C[C@H](C(=O)N1CCCC1)N1CCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000509357380 1075241610 /nfs/dbraw/zinc/24/16/10/1075241610.db2.gz KNJBIDQKOZHLIG-JOCHJYFZSA-N 0 3 413.610 1.827 20 0 HDADHN COC(=O)[C@H]1CCN(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)[C@H]1C(C)C ZINC000429379623 1075271033 /nfs/dbraw/zinc/27/10/33/1075271033.db2.gz KHIMDYRSDYUTPP-KXBFYZLASA-N 0 3 408.495 1.848 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CCN(c3nccs3)CC2)CC1 ZINC000466703358 1075283471 /nfs/dbraw/zinc/28/34/71/1075283471.db2.gz NSQDYHQTFDNKTA-INIZCTEOSA-N 0 3 406.556 1.060 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000675917141 1075291553 /nfs/dbraw/zinc/29/15/53/1075291553.db2.gz XASAFKWYUVUYPN-IBGZPJMESA-N 0 3 404.486 1.041 20 0 HDADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1nc2cc(Cl)ccc2n1C ZINC000675946124 1075304196 /nfs/dbraw/zinc/30/41/96/1075304196.db2.gz RVCFORZSDDDVAN-HNNXBMFYSA-N 0 3 421.929 1.412 20 0 HDADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)[C@@H]3CCc4nncn4CC3)CC2)cc1 ZINC001129156887 1075322682 /nfs/dbraw/zinc/32/26/82/1075322682.db2.gz BJVJWPQSMMYAGM-GOSISDBHSA-N 0 3 410.522 1.970 20 0 HDADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)[C@H]3CCc4nncn4CC3)CC2)cc1 ZINC001129156888 1075322749 /nfs/dbraw/zinc/32/27/49/1075322749.db2.gz BJVJWPQSMMYAGM-SFHVURJKSA-N 0 3 410.522 1.970 20 0 HDADHN COCCn1cc(C(=O)NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)nn1 ZINC001129157496 1075323162 /nfs/dbraw/zinc/32/31/62/1075323162.db2.gz HGKBQGZIPJENSV-UHFFFAOYSA-N 0 3 400.483 1.277 20 0 HDADHN Cc1c(C(=O)NCCc2nnc3ccccn32)nnn1-c1cccc2c1CCN(C)C2 ZINC000731471111 1075358929 /nfs/dbraw/zinc/35/89/29/1075358929.db2.gz OOQVBUYOKMMFCZ-UHFFFAOYSA-N 0 3 416.489 1.579 20 0 HDADHN CC(C)(C)OC(=O)NC[C@H]1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000731530691 1075376940 /nfs/dbraw/zinc/37/69/40/1075376940.db2.gz IFKYRACDRHFWTJ-NVXWUHKLSA-N 0 3 418.494 1.711 20 0 HDADHN COc1ccc(Cn2ccc(NC(=O)C(=O)N(CCN(C)C)CC(C)C)n2)cc1 ZINC000429788938 1075394147 /nfs/dbraw/zinc/39/41/47/1075394147.db2.gz RDZOJVJSESMEDS-UHFFFAOYSA-N 0 3 401.511 1.925 20 0 HDADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000804094179 1075394575 /nfs/dbraw/zinc/39/45/75/1075394575.db2.gz SPQBHROVLXQXTK-IKGGRYGDSA-N 0 3 410.559 1.929 20 0 HDADHN COc1ccc(Cn2ccc(NC(=O)C(=O)NC[C@@H]3N(C)CCCC3(C)C)n2)cc1 ZINC000448322356 1075402084 /nfs/dbraw/zinc/40/20/84/1075402084.db2.gz QXZSTABNUMKOJN-SFHVURJKSA-N 0 3 413.522 2.115 20 0 HDADHN CN1CCN(C(=O)CN[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC1 ZINC000429399095 1075412437 /nfs/dbraw/zinc/41/24/37/1075412437.db2.gz VZUZNMHEGAAUGG-UGKGYDQZSA-N 0 3 413.493 1.940 20 0 HDADHN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000448507479 1075430053 /nfs/dbraw/zinc/43/00/53/1075430053.db2.gz HXEZPBXBIIRNIJ-QGZVFWFLSA-N 0 3 424.480 1.942 20 0 HDADHN C[C@H](NC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)[C@H]1CN(C)CCO1 ZINC000676243788 1075445404 /nfs/dbraw/zinc/44/54/04/1075445404.db2.gz XUEYWNNGXSVETF-SESVDKBCSA-N 0 3 403.571 1.384 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000731687535 1075449284 /nfs/dbraw/zinc/44/92/84/1075449284.db2.gz VXSXCYBSENWGCL-INIZCTEOSA-N 0 3 401.486 1.375 20 0 HDADHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000731683655 1075468216 /nfs/dbraw/zinc/46/82/16/1075468216.db2.gz IJDWWFKDPAPEKQ-FXAWDEMLSA-N 0 3 422.595 1.630 20 0 HDADHN COc1cc(CN[C@@H]2CC(=O)N3CCCC[C@H]23)ccc1OCC(=O)N1CCOCC1 ZINC000509399620 1075486784 /nfs/dbraw/zinc/48/67/84/1075486784.db2.gz ABGMOEGVAXDWTK-QZTJIDSGSA-N 0 3 417.506 1.176 20 0 HDADHN C[C@H](NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1)[C@@H]1CN(C)CCO1 ZINC000676307443 1075493090 /nfs/dbraw/zinc/49/30/90/1075493090.db2.gz PLJXRZFGZPFRJY-FPOVZHCZSA-N 0 3 403.571 1.165 20 0 HDADHN CCCn1c2ccccc2n(CCC(=O)NC2CCN([C@@H]3CCOC3)CC2)c1=O ZINC000676341794 1075515158 /nfs/dbraw/zinc/51/51/58/1075515158.db2.gz DECHSIPYLKMKNZ-GOSISDBHSA-N 0 3 400.523 1.973 20 0 HDADHN Cc1ccc(CN(CCN(C)C)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)o1 ZINC000731761266 1075515211 /nfs/dbraw/zinc/51/52/11/1075515211.db2.gz BJFMFCZJWGCKIP-UHFFFAOYSA-N 0 3 414.572 1.170 20 0 HDADHN O=C(N[C@H](Cc1cccnc1)C(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000676342728 1075516106 /nfs/dbraw/zinc/51/61/06/1075516106.db2.gz KXBKXCCMXJFFHI-FGZHOGPDSA-N 0 3 422.529 1.792 20 0 HDADHN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000676344405 1075518659 /nfs/dbraw/zinc/51/86/59/1075518659.db2.gz CIQMSRINERKGCR-SFHVURJKSA-N 0 3 407.536 1.518 20 0 HDADHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CCNS(C)(=O)=O ZINC000676395638 1075542541 /nfs/dbraw/zinc/54/25/41/1075542541.db2.gz WCCIKPHWRNEIIA-KRWDZBQOSA-N 0 3 405.524 1.516 20 0 HDADHN O=C1C[C@H](NCc2ccc(OC[C@H]3CCCO3)cc2)CN1CCN1CCOCC1 ZINC000676418739 1075549427 /nfs/dbraw/zinc/54/94/27/1075549427.db2.gz ODNQUAPSHHZLKD-PZJWPPBQSA-N 0 3 403.523 1.267 20 0 HDADHN COC[C@H]1CCCN1C(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000676457865 1075554175 /nfs/dbraw/zinc/55/41/75/1075554175.db2.gz XZXJVKGVDZZCLG-RBUKOAKNSA-N 0 3 411.506 1.906 20 0 HDADHN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000731885310 1075554874 /nfs/dbraw/zinc/55/48/74/1075554874.db2.gz MTOYUHDYGJBYTF-HXUWFJFHSA-N 0 3 415.538 1.280 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000731885119 1075555199 /nfs/dbraw/zinc/55/51/99/1075555199.db2.gz KBQKKQJAKIXEDE-UHFFFAOYSA-N 0 3 416.975 1.300 20 0 HDADHN Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(C)C2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000676451986 1075557587 /nfs/dbraw/zinc/55/75/87/1075557587.db2.gz LMVAOPPRUBCOHN-VQTJNVASSA-N 0 3 424.549 1.787 20 0 HDADHN CCCCCCN(C)CC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000731865093 1075558658 /nfs/dbraw/zinc/55/86/58/1075558658.db2.gz FISPQHQLFALWKR-UHFFFAOYSA-N 0 3 405.568 1.912 20 0 HDADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)C1 ZINC000676452519 1075558660 /nfs/dbraw/zinc/55/86/60/1075558660.db2.gz CKDIZXVNIMWXEF-FPOVZHCZSA-N 0 3 420.513 1.962 20 0 HDADHN CCCCCCN(C)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000731868086 1075559301 /nfs/dbraw/zinc/55/93/01/1075559301.db2.gz LASLKXOJGFOMNU-UHFFFAOYSA-N 0 3 400.545 1.636 20 0 HDADHN C[C@H](CC(=O)N1CCC[C@H]1C[NH+]1CCCC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000731897731 1075561455 /nfs/dbraw/zinc/56/14/55/1075561455.db2.gz ZMVXJODVLLOVOP-CABCVRRESA-N 0 3 414.959 1.879 20 0 HDADHN O=C(CN1CCC2(CCC2)CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000671729457 1075566645 /nfs/dbraw/zinc/56/66/45/1075566645.db2.gz MKTKIJQXEIOGPI-UHFFFAOYSA-N 0 3 409.527 1.925 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)N1CCCC1 ZINC000571943873 1075572342 /nfs/dbraw/zinc/57/23/42/1075572342.db2.gz IAQFWQAMMSIKEC-ZDUSSCGKSA-N 0 3 420.311 2.174 20 0 HDADHN CN(C(=O)C(=O)Nc1cc(C2CC2)n(C)n1)C1CCN(CCc2ccccn2)CC1 ZINC000580013464 1075584385 /nfs/dbraw/zinc/58/43/85/1075584385.db2.gz RAQIEZMPVZODGC-UHFFFAOYSA-N 0 3 410.522 1.797 20 0 HDADHN C[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1)C1=CCN(C)CC1 ZINC000442335692 1075586754 /nfs/dbraw/zinc/58/67/54/1075586754.db2.gz PIABHWKBFWNQNL-CYBMUJFWSA-N 0 3 402.886 1.685 20 0 HDADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC3(OC)CCOCC3)cc2)CC1 ZINC000676622917 1075622163 /nfs/dbraw/zinc/62/21/63/1075622163.db2.gz JCXQXZHBDUEFPQ-UHFFFAOYSA-N 0 3 418.538 1.074 20 0 HDADHN CC(C)(C)OC(=O)NCC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000732113374 1075635525 /nfs/dbraw/zinc/63/55/25/1075635525.db2.gz SQJOHKNFHLUDEU-UHFFFAOYSA-N 0 3 404.511 1.653 20 0 HDADHN COC(=O)N[C@H](C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1)C(C)C ZINC000732112891 1075635580 /nfs/dbraw/zinc/63/55/80/1075635580.db2.gz ISTLVXSLGPQGLG-SFHVURJKSA-N 0 3 404.511 1.509 20 0 HDADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CC1 ZINC000676659497 1075640764 /nfs/dbraw/zinc/64/07/64/1075640764.db2.gz RFPSJUZNZDCVMD-INIZCTEOSA-N 0 3 419.489 1.943 20 0 HDADHN COc1cccc([C@H](O)CNC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000732240645 1075677335 /nfs/dbraw/zinc/67/73/35/1075677335.db2.gz HUALXRWINPAJAM-JOCHJYFZSA-N 0 3 412.534 1.975 20 0 HDADHN CCCCCCN(C)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000732263181 1075689432 /nfs/dbraw/zinc/68/94/32/1075689432.db2.gz LAHRXOCGPUZAJB-UHFFFAOYSA-N 0 3 417.597 1.897 20 0 HDADHN NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3nnc4ccccc4c3[O-])c2)C1 ZINC000732289448 1075700397 /nfs/dbraw/zinc/70/03/97/1075700397.db2.gz GPFKLJUVQPPOMI-QGZVFWFLSA-N 0 3 419.485 1.963 20 0 HDADHN NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3nnc4ccccc4c3[O-])c2)C1 ZINC000732289448 1075700401 /nfs/dbraw/zinc/70/04/01/1075700401.db2.gz GPFKLJUVQPPOMI-QGZVFWFLSA-N 0 3 419.485 1.963 20 0 HDADHN C[C@@H]1CN(CCC2CCN(C(=O)C(=O)Nc3cc4n(n3)CCCC4)CC2)C[C@H](C)O1 ZINC000498961122 1075701373 /nfs/dbraw/zinc/70/13/73/1075701373.db2.gz GROLSYDABXARCI-CALCHBBNSA-N 0 3 417.554 1.896 20 0 HDADHN C[C@@H]1CN(CCCNc2cc(NCCCN3C[C@@H](C)O[C@@H](C)C3)ncn2)C[C@H](C)O1 ZINC000439831671 1075701747 /nfs/dbraw/zinc/70/17/47/1075701747.db2.gz VYDZEKQQQFVCBF-FGYAAKKASA-N 0 3 420.602 2.299 20 0 HDADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000486225699 1075720337 /nfs/dbraw/zinc/72/03/37/1075720337.db2.gz LLPXMWVGUYMXKV-KXBFYZLASA-N 0 3 409.538 1.522 20 0 HDADHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000463264336 1075720362 /nfs/dbraw/zinc/72/03/62/1075720362.db2.gz GCOXLHLWZYTFRK-HOCLYGCPSA-N 0 3 401.540 1.472 20 0 HDADHN C[C@@H]1C[C@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CN1Cc1ccccc1 ZINC000429257065 1075723332 /nfs/dbraw/zinc/72/33/32/1075723332.db2.gz NBCQDZYWVIXRLA-ZBFHGGJFSA-N 0 3 422.489 2.161 20 0 HDADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000448511627 1075723412 /nfs/dbraw/zinc/72/34/12/1075723412.db2.gz HXIOGCVRTKLRHQ-UHFFFAOYSA-N 0 3 415.391 2.113 20 0 HDADHN CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCN(S(=O)(=O)c4cccs4)C3)[C@@H]2C1 ZINC000509258843 1075728985 /nfs/dbraw/zinc/72/89/85/1075728985.db2.gz POHXPVIOYXIMJD-ARFHVFGLSA-N 0 3 412.581 1.494 20 0 HDADHN CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCN(S(=O)(=O)c4cccs4)C3)[C@H]2C1 ZINC000509258849 1075729005 /nfs/dbraw/zinc/72/90/05/1075729005.db2.gz POHXPVIOYXIMJD-XHSDSOJGSA-N 0 3 412.581 1.494 20 0 HDADHN C[C@H]1CCN(C)CCN1C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509259559 1075745273 /nfs/dbraw/zinc/74/52/73/1075745273.db2.gz VNCUIFSDIUICEM-LSDHHAIUSA-N 0 3 400.570 1.494 20 0 HDADHN COc1ccc([C@H]2CCCN2CN2C(=O)NC3(CCN(C)CC3)C2=O)c(OC)c1 ZINC000732487117 1075748453 /nfs/dbraw/zinc/74/84/53/1075748453.db2.gz HXRYHGKSCVFZQL-QGZVFWFLSA-N 0 3 402.495 1.814 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000732463241 1075751286 /nfs/dbraw/zinc/75/12/86/1075751286.db2.gz LGFNFNFXLOSJIC-PKOBYXMFSA-N 0 3 404.511 1.919 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccnc(N3CCCCC3)c2)CC1 ZINC000509263874 1075752963 /nfs/dbraw/zinc/75/29/63/1075752963.db2.gz NRDWCVMTIREXGG-UHFFFAOYSA-N 0 3 416.570 1.768 20 0 HDADHN C[C@H]1CN(c2cccc(F)c2)CCN1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000429267545 1075756023 /nfs/dbraw/zinc/75/60/23/1075756023.db2.gz MXLSAEPMMGJQRI-SFHVURJKSA-N 0 3 412.513 1.865 20 0 HDADHN COc1cccc([C@H](O)CNC(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)c1 ZINC000732485068 1075762403 /nfs/dbraw/zinc/76/24/03/1075762403.db2.gz ODICRXSJCVEXSR-GOSISDBHSA-N 0 3 401.463 1.554 20 0 HDADHN CC(C)(C)c1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)no1 ZINC000493681484 1075770468 /nfs/dbraw/zinc/77/04/68/1075770468.db2.gz OGEAALQRGVRRKM-SJORKVTESA-N 0 3 414.506 1.910 20 0 HDADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(-c4ccc(Br)cc4)n3)[C@@H]2C1 ZINC000645615634 1075800465 /nfs/dbraw/zinc/80/04/65/1075800465.db2.gz RAXNKOXUOGIYTC-IUODEOHRSA-N 0 3 418.295 1.736 20 0 HDADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CC1 ZINC000732656726 1075818218 /nfs/dbraw/zinc/81/82/18/1075818218.db2.gz AHDNHWMEFGZBBL-GOSISDBHSA-N 0 3 406.433 1.224 20 0 HDADHN CC(C)CN(C(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)C1CCN(C)CC1 ZINC000497864400 1075823702 /nfs/dbraw/zinc/82/37/02/1075823702.db2.gz SSIQLAHLBMRVRW-UHFFFAOYSA-N 0 3 402.499 1.961 20 0 HDADHN COC(=O)[C@H](c1cc(OC)cc(OC)c1)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000611244167 1075884966 /nfs/dbraw/zinc/88/49/66/1075884966.db2.gz GFCXDASOYXCJNP-MOPGFXCFSA-N 0 3 405.495 1.332 20 0 HDADHN COC(=O)[C@H](c1cc(OC)cc(OC)c1)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000611244168 1075885063 /nfs/dbraw/zinc/88/50/63/1075885063.db2.gz GFCXDASOYXCJNP-OALUTQOASA-N 0 3 405.495 1.332 20 0 HDADHN COC(=O)C(C)(C)[C@H]1CCCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000611327232 1075907584 /nfs/dbraw/zinc/90/75/84/1075907584.db2.gz PWEZBEMTIBUSEM-DLBZAZTESA-N 0 3 410.559 1.550 20 0 HDADHN CCc1c(NC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cnn1CC(C)C ZINC000611367441 1075914095 /nfs/dbraw/zinc/91/40/95/1075914095.db2.gz CTIDMFULINUEDW-GOSISDBHSA-N 0 3 418.586 1.667 20 0 HDADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cccc(Cn4cccn4)c3)C2)CC1 ZINC000611367564 1075914701 /nfs/dbraw/zinc/91/47/01/1075914701.db2.gz XLLHFBYTGOAVKH-OAQYLSRUSA-N 0 3 424.549 1.497 20 0 HDADHN CN1CCC(NC(=S)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)CC1 ZINC000732929281 1075918520 /nfs/dbraw/zinc/91/85/20/1075918520.db2.gz RUSAYAAKQGRTSJ-UHFFFAOYSA-N 0 3 416.535 1.243 20 0 HDADHN CC(C)CN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001079140723 1075965204 /nfs/dbraw/zinc/96/52/04/1075965204.db2.gz YVYVVAOAQZAMTA-VNXMGFANSA-N 0 3 402.535 1.768 20 0 HDADHN CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)N[C@H](C)C3=CCN(C)CC3)C2)no1 ZINC000511227405 1075993167 /nfs/dbraw/zinc/99/31/67/1075993167.db2.gz BWBZLXLQNGJDLI-PBHICJAKSA-N 0 3 404.515 1.415 20 0 HDADHN C[C@@H]1CN(C[C@H](O)CN[C@](C)(CO)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000511564244 1075995136 /nfs/dbraw/zinc/99/51/36/1075995136.db2.gz PWQRXLWURYRZPO-DTTOXWODSA-N 0 3 401.345 1.716 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)CC1 ZINC000733170019 1075999724 /nfs/dbraw/zinc/99/97/24/1075999724.db2.gz INCQNCSDGRCXEK-UOEVCUDDSA-N 0 3 415.517 1.509 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)CN2C(=S)N=NC2c2ccc(C)cc2)CC1 ZINC000733169611 1075999844 /nfs/dbraw/zinc/99/98/44/1075999844.db2.gz DFULUPXWFGDKHA-QGZVFWFLSA-N 0 3 416.595 1.932 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)CC1 ZINC000733170476 1076000889 /nfs/dbraw/zinc/00/08/89/1076000889.db2.gz NKIVYSGECHKPGW-OAHLLOKOSA-N 0 3 414.547 1.079 20 0 HDADHN O=C(N[C@H](Cc1cccnc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000733256097 1076024443 /nfs/dbraw/zinc/02/44/43/1076024443.db2.gz CKWXXYVHCGPXAG-NJDAHSKKSA-N 0 3 408.502 1.402 20 0 HDADHN NC(=O)C1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](N4CCCC4)C3)cc2)CC1 ZINC000727231323 1076086273 /nfs/dbraw/zinc/08/62/73/1076086273.db2.gz IMCQNOHJLWZZDB-IBGZPJMESA-N 0 3 413.522 1.024 20 0 HDADHN O=C(Nc1ccc(-n2nccn2)cc1C(F)(F)F)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000727232263 1076087001 /nfs/dbraw/zinc/08/70/01/1076087001.db2.gz ZQGXGQQBQROKCG-AWEZNQCLSA-N 0 3 422.411 1.921 20 0 HDADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N(CCCN1CCOCC1)Cc1ccncc1 ZINC000733648370 1076140221 /nfs/dbraw/zinc/14/02/21/1076140221.db2.gz IFEHMSWIEPFXJA-SFTDATJTSA-N 0 3 417.554 1.179 20 0 HDADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(N2C(=O)CCC2=O)c(C)c1 ZINC000733669941 1076151918 /nfs/dbraw/zinc/15/19/18/1076151918.db2.gz NJMXSPSBGUNDHJ-KRWDZBQOSA-N 0 3 414.506 1.968 20 0 HDADHN Cc1ccc(C2N=NC(=S)N2CC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000733882301 1076238539 /nfs/dbraw/zinc/23/85/39/1076238539.db2.gz GSKJOTGLPRNHMY-INIZCTEOSA-N 0 3 402.568 1.542 20 0 HDADHN NC(=O)c1c2c(sc1NC(=O)CN1CCC(CN3CCOCC3)CC1)CCC2 ZINC000727833012 1076264480 /nfs/dbraw/zinc/26/44/80/1076264480.db2.gz IHRGTGGGYPWZPB-UHFFFAOYSA-N 0 3 406.552 1.318 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000727860255 1076274636 /nfs/dbraw/zinc/27/46/36/1076274636.db2.gz ZPKFHRUJMPZVTL-AWEZNQCLSA-N 0 3 424.548 1.139 20 0 HDADHN CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCC2([NH+](C)C)CCOCC2)ccc1F ZINC000733980577 1076281562 /nfs/dbraw/zinc/28/15/62/1076281562.db2.gz GFNPRMUTIIFPAW-UHFFFAOYSA-N 0 3 401.504 1.353 20 0 HDADHN CCN(C(=O)CN[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000734001418 1076288532 /nfs/dbraw/zinc/28/85/32/1076288532.db2.gz AMLOGPBNLXUGMP-KXBFYZLASA-N 0 3 419.588 1.551 20 0 HDADHN CCOC(=O)C1=C(CN2CCN(CC(C)(C)O)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000728054544 1076321815 /nfs/dbraw/zinc/32/18/15/1076321815.db2.gz IOUJDVQUPDULEN-IBGZPJMESA-N 0 3 416.522 1.246 20 0 HDADHN CCOC(=O)C1C(CN2CCN(CC(C)(C)O)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000728054544 1076321823 /nfs/dbraw/zinc/32/18/23/1076321823.db2.gz IOUJDVQUPDULEN-IBGZPJMESA-N 0 3 416.522 1.246 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN3CCCC[C@@H]3C3OCCO3)cc2)CC1 ZINC000728174815 1076365206 /nfs/dbraw/zinc/36/52/06/1076365206.db2.gz XDAHQPHTBYAYFF-HXUWFJFHSA-N 0 3 402.539 1.994 20 0 HDADHN COCCN1CCC[C@@H](NC(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)C1 ZINC000730035722 1076413635 /nfs/dbraw/zinc/41/36/35/1076413635.db2.gz CXQYHMSDJUFYLA-MRXNPFEDSA-N 0 3 419.551 1.860 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000730217911 1076479642 /nfs/dbraw/zinc/47/96/42/1076479642.db2.gz ZMCQMOVVTQORDW-MAUKXSAKSA-N 0 3 404.486 1.238 20 0 HDADHN CC(C)(C)OC(=O)NC1(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CCCC1 ZINC000730218900 1076480002 /nfs/dbraw/zinc/48/00/02/1076480002.db2.gz RXZGGSZSMZGVNI-MRXNPFEDSA-N 0 3 408.543 1.765 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000730219280 1076481267 /nfs/dbraw/zinc/48/12/67/1076481267.db2.gz YIBSSCRUSBSSPD-PMACEKPBSA-N 0 3 412.534 1.622 20 0 HDADHN C[C@H](O)[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000730261347 1076502995 /nfs/dbraw/zinc/50/29/95/1076502995.db2.gz IBCBEILLLJLMLL-BVZJREFNSA-N 0 3 421.563 1.367 20 0 HDADHN CCOC(=O)C1C(CN(C[C@H](C)O)C(C)C)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000730420293 1076575213 /nfs/dbraw/zinc/57/52/13/1076575213.db2.gz WWPUAMNDNNWQHH-LIRRHRJNSA-N 0 3 405.495 1.958 20 0 HDADHN CON(C)S(=O)(=O)c1cccc(C(=O)N(CCN(C)C)Cc2ccccn2)c1 ZINC000730548096 1076598558 /nfs/dbraw/zinc/59/85/58/1076598558.db2.gz TUNZZWGBTIQOBJ-UHFFFAOYSA-N 0 3 406.508 1.468 20 0 HDADHN CON(C)S(=O)(=O)c1ccc(C(=O)N(CCN(C)C)Cc2ccccn2)cc1 ZINC000730551515 1076599875 /nfs/dbraw/zinc/59/98/75/1076599875.db2.gz OMNUCSOUDWEKOF-UHFFFAOYSA-N 0 3 406.508 1.468 20 0 HDADHN COCCN1CC[C@@H](NC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 ZINC000730789711 1076659384 /nfs/dbraw/zinc/65/93/84/1076659384.db2.gz SGZOJHSWGPVAPB-OAHLLOKOSA-N 0 3 410.478 1.291 20 0 HDADHN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H]2CCN(CCOC)C2)cc1 ZINC000730841122 1076670804 /nfs/dbraw/zinc/67/08/04/1076670804.db2.gz BLOKMKSIHVCBLW-MRXNPFEDSA-N 0 3 419.551 1.860 20 0 HDADHN COCCN1CC[C@@H](NC(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)C1 ZINC000730842388 1076671181 /nfs/dbraw/zinc/67/11/81/1076671181.db2.gz YOLFLIJNFPGZLU-OAHLLOKOSA-N 0 3 405.524 1.469 20 0 HDADHN COC(=O)N[C@H](C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)C(C)C ZINC000730967423 1076703600 /nfs/dbraw/zinc/70/36/00/1076703600.db2.gz YQJGFMCKLSEZLU-QUCCMNQESA-N 0 3 417.554 1.823 20 0 HDADHN NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN/C=C3\C(=O)[N-]C(=O)c4ccccc43)c2)C1 ZINC000730996166 1076706989 /nfs/dbraw/zinc/70/69/89/1076706989.db2.gz PAADTRDFOPZOQK-LZAZYHHXSA-N 0 3 418.497 1.785 20 0 HDADHN NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN/C=C3\C(=O)[N-]C(=O)c4ccccc43)c2)C1 ZINC000730996166 1076706994 /nfs/dbraw/zinc/70/69/94/1076706994.db2.gz PAADTRDFOPZOQK-LZAZYHHXSA-N 0 3 418.497 1.785 20 0 HDADHN NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN/C=C3/C(=O)[N-]C(=O)c4ccccc43)c2)C1 ZINC000730996163 1076707047 /nfs/dbraw/zinc/70/70/47/1076707047.db2.gz PAADTRDFOPZOQK-KOMLCTQHSA-N 0 3 418.497 1.785 20 0 HDADHN NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN/C=C3/C(=O)[N-]C(=O)c4ccccc43)c2)C1 ZINC000730996163 1076707053 /nfs/dbraw/zinc/70/70/53/1076707053.db2.gz PAADTRDFOPZOQK-KOMLCTQHSA-N 0 3 418.497 1.785 20 0 HDADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)nc3c1CN(C(C)C)C3=O)CC2 ZINC001164685677 719736787 /nfs/dbraw/zinc/73/67/87/719736787.db2.gz MXKABPBAPDTTTR-UHFFFAOYSA-N 0 3 420.945 1.675 20 0 HDADHN CNC(=O)CN1CCCC12CCN(c1c(Cl)nc(C(=O)OC)nc1Cl)CC2 ZINC001164689393 719755351 /nfs/dbraw/zinc/75/53/51/719755351.db2.gz DZUXJASCVVASCV-UHFFFAOYSA-N 0 3 416.309 1.751 20 0 HDADHN CCCNC(=O)c1cc(Cl)nc(N2CCC3(CCCN3CC(=O)NC)CC2)n1 ZINC001164690625 719759165 /nfs/dbraw/zinc/75/91/65/719759165.db2.gz GICSBOQOLCRJHD-UHFFFAOYSA-N 0 3 408.934 1.451 20 0 HDADHN CNC(=O)CN1CCOC[C@@]2(CCCN(c3ncccc3CN3CCCC3)C2)C1 ZINC001164723386 720306814 /nfs/dbraw/zinc/30/68/14/720306814.db2.gz OKOPQXLFHRCCKI-QFIPXVFZSA-N 0 3 401.555 1.342 20 0 HDADHN c1cncc(CN2CC[C@@H]3[C@H]2CCN3c2nc(N3CCOCC3)nc3c2CCN3)c1 ZINC001164721346 720360728 /nfs/dbraw/zinc/36/07/28/720360728.db2.gz BTHIJHWJLSNXRT-RTBURBONSA-N 0 3 407.522 1.529 20 0 HDADHN CCOC(=O)c1nc2ccn(C)c2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164738908 720744263 /nfs/dbraw/zinc/74/42/63/720744263.db2.gz GZCWQWRRJJCSPE-CABCVRRESA-N 0 3 423.477 1.277 20 0 HDADHN CCOC(=O)c1cnc2cc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)[nH]cc1-2 ZINC001164739009 720749596 /nfs/dbraw/zinc/74/95/96/720749596.db2.gz HKQABBQDSIDCAJ-LSDHHAIUSA-N 0 3 408.462 1.872 20 0 HDADHN c1nc2c(ncnc2N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1-c1ccccc1 ZINC001164751989 720798347 /nfs/dbraw/zinc/79/83/47/720798347.db2.gz YIYQFHRCTHKXBP-ROUUACIJSA-N 0 3 414.473 1.947 20 0 HDADHN COC(=O)c1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164871421 721047621 /nfs/dbraw/zinc/04/76/21/721047621.db2.gz YQOMOAZKHASDKU-HUUCEWRRSA-N 0 3 403.870 1.791 20 0 HDADHN CN1CCN(c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)CC1 ZINC001164867056 721052175 /nfs/dbraw/zinc/05/21/75/721052175.db2.gz HDVBQNQHCSURJD-UXHICEINSA-N 0 3 409.538 1.103 20 0 HDADHN COC(=O)Cc1c(Cl)ncnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866862 721073070 /nfs/dbraw/zinc/07/30/70/721073070.db2.gz GJOSQVVIAXXTFC-CVEARBPZSA-N 0 3 417.897 1.720 20 0 HDADHN CNC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867824 721189059 /nfs/dbraw/zinc/18/90/59/721189059.db2.gz IIXLULNQAFGNMF-CABCVRRESA-N 0 3 402.886 1.364 20 0 HDADHN COC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)cc1OC ZINC001164890962 721389066 /nfs/dbraw/zinc/38/90/66/721389066.db2.gz PPWBPSJBPIWIPI-JTSKRJEESA-N 0 3 418.538 1.642 20 0 HDADHN Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4ccc(CN5CCCC5)cn4)CC[C@H]23)cn1 ZINC001164956467 722031933 /nfs/dbraw/zinc/03/19/33/722031933.db2.gz GULQAOHHIRXBIQ-ACRUOGEOSA-N 0 3 424.549 1.682 20 0 HDADHN c1cncc(CN2CCO[C@@H]3CN(c4cc(N5CCOCC5)ncn4)CC[C@@H]3C2)c1 ZINC001164982804 722102994 /nfs/dbraw/zinc/10/29/94/722102994.db2.gz PDBYXZDMJJFLCC-WOJBJXKFSA-N 0 3 410.522 1.436 20 0 HDADHN NC(=O)c1ccc(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974934 722119673 /nfs/dbraw/zinc/11/96/73/722119673.db2.gz JCFZAYKNQDANOM-NVXWUHKLSA-N 0 3 401.898 1.956 20 0 HDADHN O=C1CSc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2N1 ZINC001164971753 722156331 /nfs/dbraw/zinc/15/63/31/722156331.db2.gz FKZPPNCNGPTPLM-CVEARBPZSA-N 0 3 412.519 1.643 20 0 HDADHN O=C(Nc1ccc(CCN2CCOCC2)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000429056199 1073484673 /nfs/dbraw/zinc/48/46/73/1073484673.db2.gz YWOQZYGJPGSMJP-FQEVSTJZSA-N 0 3 402.539 1.747 20 0 HDADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H](CCCO)c2ccccc2)CC1 ZINC000509116299 1073578498 /nfs/dbraw/zinc/57/84/98/1073578498.db2.gz YZOAXJRXLJKUKG-SFHVURJKSA-N 0 3 412.490 1.369 20 0 HDADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCCC1 ZINC000673666774 1073620188 /nfs/dbraw/zinc/62/01/88/1073620188.db2.gz IIXRKOGBNIISPB-MRXNPFEDSA-N 0 3 410.540 1.483 20 0 HDADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCCC1 ZINC000673666774 1073620192 /nfs/dbraw/zinc/62/01/92/1073620192.db2.gz IIXRKOGBNIISPB-MRXNPFEDSA-N 0 3 410.540 1.483 20 0 HDADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1=O ZINC000673672593 1073626829 /nfs/dbraw/zinc/62/68/29/1073626829.db2.gz GETGBSGCDNICLK-GOEBONIOSA-N 0 3 412.456 1.810 20 0 HDADHN COC[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000673674963 1073631580 /nfs/dbraw/zinc/63/15/80/1073631580.db2.gz JYQSCHDYXBKLID-HOCLYGCPSA-N 0 3 401.429 1.919 20 0 HDADHN Cc1cccc(N2CCN(CCC(=O)N[C@@H]3C[C@H](C)N(c4cnn(C)c4)C3=O)CC2)c1 ZINC000673684793 1073640138 /nfs/dbraw/zinc/64/01/38/1073640138.db2.gz JSABLUSDAHAHKM-GHTZIAJQSA-N 0 3 424.549 1.551 20 0 HDADHN CN(C(=O)COc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000673701188 1073643471 /nfs/dbraw/zinc/64/34/71/1073643471.db2.gz VKVPYEKZDFTPAN-SFHVURJKSA-N 0 3 417.531 1.836 20 0 HDADHN CCN(CC)CCO[C@@H]1CCN(C(=O)[C@H](C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000673729470 1073661996 /nfs/dbraw/zinc/66/19/96/1073661996.db2.gz LKUQQTVOCMYPPB-DOTOQJQBSA-N 0 3 400.516 1.947 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000673779140 1073735537 /nfs/dbraw/zinc/73/55/37/1073735537.db2.gz XLYAGEVHMCNUPK-PXNSSMCTSA-N 0 3 410.522 1.831 20 0 HDADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N1CCC[C@@H](CO)CC1 ZINC000491899577 1073737197 /nfs/dbraw/zinc/73/71/97/1073737197.db2.gz NBBABCZETKMTBX-GOSISDBHSA-N 0 3 405.564 1.837 20 0 HDADHN O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@@H]2CCCN2c2ncccn2)cc1 ZINC000673837706 1073811295 /nfs/dbraw/zinc/81/12/95/1073811295.db2.gz KWGSADRETCWLHM-FQEVSTJZSA-N 0 3 422.533 1.587 20 0 HDADHN CON(C)C(=O)c1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000766040612 1073854000 /nfs/dbraw/zinc/85/40/00/1073854000.db2.gz GTYZEOKHXOSYEU-KRWDZBQOSA-N 0 3 403.483 1.090 20 0 HDADHN CN(C)c1cc(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c2ccccc2n1 ZINC000466555073 1073901854 /nfs/dbraw/zinc/90/18/54/1073901854.db2.gz JFYFXJXNGSDWST-UHFFFAOYSA-N 0 3 424.549 1.750 20 0 HDADHN Cc1c(C(=O)N[C@H]2c3ccccc3C[C@H]2O)nnn1-c1cccc2c1CCN(C)C2 ZINC000673935787 1073907891 /nfs/dbraw/zinc/90/78/91/1073907891.db2.gz STWPMLPTSISQIT-IRLDBZIGSA-N 0 3 403.486 1.952 20 0 HDADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000014529591 1073909575 /nfs/dbraw/zinc/90/95/75/1073909575.db2.gz ZFJNZOGSZQKVIV-UHFFFAOYSA-N 0 3 413.522 1.226 20 0 HDADHN CNC(=O)[C@@H](NC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)C(C)C ZINC000429177914 1073959329 /nfs/dbraw/zinc/95/93/29/1073959329.db2.gz BROIUUZQIFZBAV-QUCCMNQESA-N 0 3 416.570 1.396 20 0 HDADHN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000509186713 1074001687 /nfs/dbraw/zinc/00/16/87/1074001687.db2.gz NNEMSECZMWGPOC-OAHLLOKOSA-N 0 3 419.469 1.941 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)N1CCC[C@H](C)C1 ZINC000543534459 1074033168 /nfs/dbraw/zinc/03/31/68/1074033168.db2.gz MWQWDWJLGMEHIA-HOTGVXAUSA-N 0 3 401.511 1.387 20 0 HDADHN CN1CCN(Cc2ccc(CNC(=O)NCCc3cn4c(n3)SCC4)cc2)CC1 ZINC000466591368 1074042281 /nfs/dbraw/zinc/04/22/81/1074042281.db2.gz TUMOUPQOROPLJL-UHFFFAOYSA-N 0 3 414.579 1.778 20 0 HDADHN Cc1[nH]c(=O)c(Br)cc1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000509197897 1074048642 /nfs/dbraw/zinc/04/86/42/1074048642.db2.gz SWOVHGOQRFKNQD-AWEZNQCLSA-N 0 3 413.316 1.531 20 0 HDADHN CCN(CCO)CCNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000470587071 1074050342 /nfs/dbraw/zinc/05/03/42/1074050342.db2.gz FMPWLBFJSKKQPS-KRWDZBQOSA-N 0 3 404.338 1.797 20 0 HDADHN CNC(=O)N[C@@H]1CCN(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000466593034 1074054591 /nfs/dbraw/zinc/05/45/91/1074054591.db2.gz LOVVDYPJKIOKNS-HXUWFJFHSA-N 0 3 416.570 1.297 20 0 HDADHN CN(C)CCn1c2cc(NC(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)ccc2oc1=O ZINC000058739446 1074057869 /nfs/dbraw/zinc/05/78/69/1074057869.db2.gz WSPMQBLMGHLSTD-HNNXBMFYSA-N 0 3 423.473 1.538 20 0 HDADHN CN(C)CCn1c2cc(NC(=O)Cn3nc(-c4ccccc4)oc3=O)ccc2oc1=O ZINC000059003814 1074089091 /nfs/dbraw/zinc/08/90/91/1074089091.db2.gz XORUEVOITBAELQ-UHFFFAOYSA-N 0 3 423.429 1.612 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@](C)(O)CSc1cccc(F)c1 ZINC000509210757 1074133537 /nfs/dbraw/zinc/13/35/37/1074133537.db2.gz LKNDFOIERPEAPV-YLJYHZDGSA-N 0 3 411.543 1.728 20 0 HDADHN C[C@H](NCC[S@@](=O)C(C)(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766055886 1074150147 /nfs/dbraw/zinc/15/01/47/1074150147.db2.gz YFZBWUFVANQIKJ-RKNYENMMSA-N 0 3 424.610 1.610 20 0 HDADHN C[C@H](Sc1nc(CC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cs1)C(N)=O ZINC001128613442 1074184447 /nfs/dbraw/zinc/18/44/47/1074184447.db2.gz CGLYBQTUSKFFBT-STQMWFEESA-N 0 3 412.581 1.363 20 0 HDADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N1CCC[C@@H](CCO)C1 ZINC000674205286 1074221327 /nfs/dbraw/zinc/22/13/27/1074221327.db2.gz FBMXJGXVZAIDOW-SFHVURJKSA-N 0 3 405.564 1.837 20 0 HDADHN Cc1ccc(NC(=O)CN2CC[C@@H](N(C)Cc3ccccc3)C2)cc1S(N)(=O)=O ZINC000674250757 1074243208 /nfs/dbraw/zinc/24/32/08/1074243208.db2.gz GQBCUQMMWAIALQ-LJQANCHMSA-N 0 3 416.547 1.787 20 0 HDADHN COC1CCN(CCNC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 ZINC000674315493 1074265565 /nfs/dbraw/zinc/26/55/65/1074265565.db2.gz UWLGNCNLEULWTQ-UHFFFAOYSA-N 0 3 419.526 1.190 20 0 HDADHN COC1CCN(CCNC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC1 ZINC000674317225 1074265630 /nfs/dbraw/zinc/26/56/30/1074265630.db2.gz QCCBNZLWEQYKNE-UHFFFAOYSA-N 0 3 414.503 1.598 20 0 HDADHN COC1CCN(CCNC(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC000674316378 1074265866 /nfs/dbraw/zinc/26/58/66/1074265866.db2.gz FMYOTUIYDOPJKH-UHFFFAOYSA-N 0 3 410.540 1.154 20 0 HDADHN COC1CCN(CCNC(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CC1 ZINC000674311162 1074267972 /nfs/dbraw/zinc/26/79/72/1074267972.db2.gz ZXQIWXLEZBQCQF-FQEVSTJZSA-N 0 3 404.486 1.581 20 0 HDADHN COC1CCN(CCNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 ZINC000674311167 1074268059 /nfs/dbraw/zinc/26/80/59/1074268059.db2.gz VFIBBNKFPYRXFH-MRXNPFEDSA-N 0 3 415.581 1.518 20 0 HDADHN COC1CCN(CCNC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 ZINC000674310912 1074268598 /nfs/dbraw/zinc/26/85/98/1074268598.db2.gz UUSVMUGFEPWVGB-NQIIRXRSSA-N 0 3 421.538 1.943 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000674323316 1074273773 /nfs/dbraw/zinc/27/37/73/1074273773.db2.gz FBPNRMSTVNYXCB-LJQANCHMSA-N 0 3 401.507 1.924 20 0 HDADHN COC1CCN(CCNC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000674323314 1074273920 /nfs/dbraw/zinc/27/39/20/1074273920.db2.gz FBPNRMSTVNYXCB-IBGZPJMESA-N 0 3 401.507 1.924 20 0 HDADHN COC1CCN(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 ZINC000674324706 1074274272 /nfs/dbraw/zinc/27/42/72/1074274272.db2.gz QEITVUGUVJEPRC-KRWDZBQOSA-N 0 3 422.913 1.772 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 ZINC000674324923 1074274373 /nfs/dbraw/zinc/27/43/73/1074274373.db2.gz TUGUIIXNCTZCIS-LJQANCHMSA-N 0 3 417.550 1.921 20 0 HDADHN COc1ccc([C@@H](CNC(=O)NCCN2CCC(OC)CC2)N2CCOCC2)cc1 ZINC000674325852 1074275187 /nfs/dbraw/zinc/27/51/87/1074275187.db2.gz KUWLGYZICQSASO-OAQYLSRUSA-N 0 3 420.554 1.479 20 0 HDADHN COC1CCN(CCNC(=O)NCc2cccc(C(=O)N3CCOCC3)c2)CC1 ZINC000674326439 1074276936 /nfs/dbraw/zinc/27/69/36/1074276936.db2.gz DKPARDQVHKTJIB-UHFFFAOYSA-N 0 3 404.511 1.069 20 0 HDADHN COC1CCN(CCNC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000674333006 1074286624 /nfs/dbraw/zinc/28/66/24/1074286624.db2.gz RQMAHPYOSURXCZ-YZGWKJHDSA-N 0 3 400.523 1.553 20 0 HDADHN O=C(CCN[C@H](Cn1cccn1)c1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000674372047 1074299839 /nfs/dbraw/zinc/29/98/39/1074299839.db2.gz XHXUPQKHLSZLTF-HXUWFJFHSA-N 0 3 405.506 1.743 20 0 HDADHN CN1CCN(C(C)(C)CNC(=O)NCC2(CN3CCOCC3)CCCCC2)CC1 ZINC000674394011 1074309666 /nfs/dbraw/zinc/30/96/66/1074309666.db2.gz RQJCOOYIFZSANB-UHFFFAOYSA-N 0 3 409.619 1.594 20 0 HDADHN CCN1C(=O)[C@H]2CN(CCC(=O)Nc3cc(OC)c(OC)c(OC)c3)CCN2C1=O ZINC000674501285 1074394345 /nfs/dbraw/zinc/39/43/45/1074394345.db2.gz JMYXODKFPMKFPS-CQSZACIVSA-N 0 3 420.466 1.009 20 0 HDADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000429232180 1074427957 /nfs/dbraw/zinc/42/79/57/1074427957.db2.gz AHOUYVPIDIUBKO-UHFFFAOYSA-N 0 3 421.607 1.786 20 0 HDADHN COCCN1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000141538984 1074443915 /nfs/dbraw/zinc/44/39/15/1074443915.db2.gz ZELFEXBRPNQRAP-UHFFFAOYSA-N 0 3 409.961 1.249 20 0 HDADHN CN(C)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000674640347 1074499605 /nfs/dbraw/zinc/49/96/05/1074499605.db2.gz DYSOJCVVFPNKMF-UWJYYQICSA-N 0 3 401.511 1.480 20 0 HDADHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000674831050 1074587491 /nfs/dbraw/zinc/58/74/91/1074587491.db2.gz ODXVLRZFLPKRFH-UHFFFAOYSA-N 0 3 411.480 1.098 20 0 HDADHN CN1CCN(S(=O)(=O)c2ccccc2CN[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000674882053 1074601143 /nfs/dbraw/zinc/60/11/43/1074601143.db2.gz DBLLXUFTCDFRMY-FQEVSTJZSA-N 0 3 414.575 1.991 20 0 HDADHN Cc1ccc(CN2CCCN(C(=O)CN3CCC(OCCCO)CC3)CC2)cc1 ZINC000674913392 1074618806 /nfs/dbraw/zinc/61/88/06/1074618806.db2.gz SOQNESUKRSXZFE-UHFFFAOYSA-N 0 3 403.567 1.893 20 0 HDADHN CCN1C(=O)[C@H]2CN(C(=O)NC[C@H](c3cccs3)N3CCCC3)CCN2C1=O ZINC000675084168 1074700865 /nfs/dbraw/zinc/70/08/65/1074700865.db2.gz MRFYEBJZQLQEKA-HUUCEWRRSA-N 0 3 405.524 1.563 20 0 HDADHN CCN(CC)[C@@H](CNC(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)c1ccsc1 ZINC000675087884 1074702528 /nfs/dbraw/zinc/70/25/28/1074702528.db2.gz MSPLNDLZXNSJIZ-HOTGVXAUSA-N 0 3 407.540 1.809 20 0 HDADHN CC(C)n1ccc(NC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)n1 ZINC000483581187 1074716326 /nfs/dbraw/zinc/71/63/26/1074716326.db2.gz MLHIZLRPRQVWMW-UHFFFAOYSA-N 0 3 412.538 1.727 20 0 HDADHN C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)CN1Cc1ccccc1 ZINC000675107629 1074722504 /nfs/dbraw/zinc/72/25/04/1074722504.db2.gz XECTXBUFQOBFIS-YDGKCNFYSA-N 0 3 413.522 1.669 20 0 HDADHN COC(=O)CCc1nnc(NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)s1 ZINC000467469228 1074727502 /nfs/dbraw/zinc/72/75/02/1074727502.db2.gz MUBDGHBTCOWWCE-UKRRQHHQSA-N 0 3 403.508 2.428 20 0 HDADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675318209 1074797776 /nfs/dbraw/zinc/79/77/76/1074797776.db2.gz UNOBYBBWBDMZJR-RDJZCZTQSA-N 0 3 406.914 1.552 20 0 HDADHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000429329834 1074813091 /nfs/dbraw/zinc/81/30/91/1074813091.db2.gz HNLGFVMKMPIAPQ-RYUDHWBXSA-N 0 3 405.314 1.981 20 0 HDADHN C[C@H](CNC(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O)CN1CCN(C)CC1 ZINC000429334983 1075107363 /nfs/dbraw/zinc/10/73/63/1075107363.db2.gz UULNIUGTMOSMOK-TZIWHRDSSA-N 0 3 415.582 1.403 20 0 HDADHN C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)n1 ZINC000675405489 1075131404 /nfs/dbraw/zinc/13/14/04/1075131404.db2.gz QBGJUEINEILHJJ-YWZLYKJASA-N 0 3 401.536 1.984 20 0 HDADHN C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000675410759 1075132626 /nfs/dbraw/zinc/13/26/26/1075132626.db2.gz LREXWLUYDDDSQY-ZIAGYGMSSA-N 0 3 404.467 1.026 20 0 HDADHN Cc1cc(NC(=O)CSCC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)no1 ZINC000467034149 1075134770 /nfs/dbraw/zinc/13/47/70/1075134770.db2.gz RBMGLMZBHGLKCG-YOEHRIQHSA-N 0 3 402.520 2.434 20 0 HDADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000675451505 1075152517 /nfs/dbraw/zinc/15/25/17/1075152517.db2.gz FTRMANOYDUVCRQ-SUMWQHHRSA-N 0 3 424.904 1.691 20 0 HDADHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C1(CC)CC ZINC000429347576 1075154183 /nfs/dbraw/zinc/15/41/83/1075154183.db2.gz WRFVZROIVOZPGL-IAGOWNOFSA-N 0 3 413.540 1.855 20 0 HDADHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c2ccccc2O1 ZINC000675470803 1075167536 /nfs/dbraw/zinc/16/75/36/1075167536.db2.gz FWVSLPZVWCAUDI-CQSZACIVSA-N 0 3 416.503 1.395 20 0 HDADHN CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429352408 1075171492 /nfs/dbraw/zinc/17/14/92/1075171492.db2.gz WKKYKNYKJJAJBW-QXAKKESOSA-N 0 3 411.568 1.358 20 0 HDADHN Cc1cc(NC(=O)NCCCCN2CCN(CCO)CC2)nn1-c1cccc(F)c1 ZINC000537379001 1075172440 /nfs/dbraw/zinc/17/24/40/1075172440.db2.gz BGGNIOMIELTWCL-UHFFFAOYSA-N 0 3 418.517 1.831 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c2ccccc2O1 ZINC000675491001 1075175183 /nfs/dbraw/zinc/17/51/83/1075175183.db2.gz HWUFEXXYFYKIFS-QZTJIDSGSA-N 0 3 407.470 1.861 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)c2ccccc2O1 ZINC000675491003 1075175582 /nfs/dbraw/zinc/17/55/82/1075175582.db2.gz HWUFEXXYFYKIFS-ZWKOTPCHSA-N 0 3 407.470 1.861 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)c2ccccc2O1 ZINC000675490874 1075175594 /nfs/dbraw/zinc/17/55/94/1075175594.db2.gz CJCARFNYXNAVPD-HNNXBMFYSA-N 0 3 408.458 1.848 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)CSc2nnnn2CC(F)(F)F)c2ccccc2O1 ZINC000675490670 1075175660 /nfs/dbraw/zinc/17/56/60/1075175660.db2.gz TUHWOCJGXXVRPM-LLVKDONJSA-N 0 3 416.429 1.683 20 0 HDADHN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000675512382 1075190314 /nfs/dbraw/zinc/19/03/14/1075190314.db2.gz NEHNKGRICSQYMW-JKSUJKDBSA-N 0 3 403.504 1.709 20 0 HDADHN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)c1 ZINC000675512057 1075190691 /nfs/dbraw/zinc/19/06/91/1075190691.db2.gz FOUGELFWKUOHBQ-CQSZACIVSA-N 0 3 406.508 1.671 20 0 HDADHN Cc1cc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc(S(N)(=O)=O)c1C ZINC000675511681 1075191089 /nfs/dbraw/zinc/19/10/89/1075191089.db2.gz RIHMHXQRVFFIJH-MRXNPFEDSA-N 0 3 403.504 1.920 20 0 HDADHN O=C(CNC(=O)c1ccc(Br)o1)NC1CCN([C@H]2CCOC2)CC1 ZINC000675537532 1075195158 /nfs/dbraw/zinc/19/51/58/1075195158.db2.gz DNOCHEZTGJUQRX-LBPRGKRZSA-N 0 3 400.273 1.141 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000675539173 1075195573 /nfs/dbraw/zinc/19/55/73/1075195573.db2.gz YGJORYAPJFNUPY-PKOBYXMFSA-N 0 3 421.563 1.457 20 0 HDADHN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000675541679 1075198151 /nfs/dbraw/zinc/19/81/51/1075198151.db2.gz ZYINOHXIPMKZLY-MOPGFXCFSA-N 0 3 402.474 1.274 20 0 HDADHN C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C(=O)N1c1cnn(C)c1 ZINC000675576129 1075209904 /nfs/dbraw/zinc/20/99/04/1075209904.db2.gz GJBKSFMMGDBTQG-IMFGXOCKSA-N 0 3 410.522 1.830 20 0 HDADHN CN(C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000675576859 1075210395 /nfs/dbraw/zinc/21/03/95/1075210395.db2.gz TUFVSCLZOFCBMS-SVMVAKDDSA-N 0 3 413.522 1.623 20 0 HDADHN CN(C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000675576854 1075210404 /nfs/dbraw/zinc/21/04/04/1075210404.db2.gz TUFVSCLZOFCBMS-FGSXEWAUSA-N 0 3 413.522 1.623 20 0 HDADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675603508 1075218708 /nfs/dbraw/zinc/21/87/08/1075218708.db2.gz YEPBRGUMQUDSPP-QGZVFWFLSA-N 0 3 416.522 1.603 20 0 HDADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675602602 1075220375 /nfs/dbraw/zinc/22/03/75/1075220375.db2.gz HJOUMOLFCQUMSL-SFHVURJKSA-N 0 3 400.523 1.902 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)Nc2cc(C3CC3)n(C)n2)CC1 ZINC000564460691 1075232969 /nfs/dbraw/zinc/23/29/69/1075232969.db2.gz CXQOORHPEDWJJV-UHFFFAOYSA-N 0 3 424.549 1.690 20 0 HDADHN COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)n1 ZINC000443842694 1075248228 /nfs/dbraw/zinc/24/82/28/1075248228.db2.gz MWAONOFJEDJSII-FCEWJHQRSA-N 0 3 401.511 2.145 20 0 HDADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000509362952 1075255152 /nfs/dbraw/zinc/25/51/52/1075255152.db2.gz ZLIZIIRFQUOPOL-UHFFFAOYSA-N 0 3 411.421 1.418 20 0 HDADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)CN3CCCCS3(=O)=O)CC2)cc1 ZINC001129048903 1075261269 /nfs/dbraw/zinc/26/12/69/1075261269.db2.gz DTSWXWFHQMUIJS-UHFFFAOYSA-N 0 3 422.551 1.151 20 0 HDADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCCN(C)C2CCCC2)c1 ZINC000509364452 1075262644 /nfs/dbraw/zinc/26/26/44/1075262644.db2.gz JMUFDVPTVPAPKS-UHFFFAOYSA-N 0 3 417.597 1.870 20 0 HDADHN Cc1cc2cccnc2c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000675760796 1075266491 /nfs/dbraw/zinc/26/64/91/1075266491.db2.gz WJMZYKGILKLYEU-KRWDZBQOSA-N 0 3 402.520 1.470 20 0 HDADHN CCOC(=O)Cc1nnc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)s1 ZINC000572401696 1075271887 /nfs/dbraw/zinc/27/18/87/1075271887.db2.gz HBOKFIXLOIKPLD-ZFWWWQNUSA-N 0 3 403.508 2.428 20 0 HDADHN C[C@H](NCCN1CCN(S(C)(=O)=O)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000675820250 1075277226 /nfs/dbraw/zinc/27/72/26/1075277226.db2.gz YNKOJTDSQVLQHD-AWEZNQCLSA-N 0 3 412.947 1.149 20 0 HDADHN CC(C)N1CCN(c2ccc(C(=O)N3CCS(=O)(=O)C[C@@H]3C3CC3)cc2)CC1 ZINC001129105481 1075283881 /nfs/dbraw/zinc/28/38/81/1075283881.db2.gz RXGCEYNUVGVJTN-HXUWFJFHSA-N 0 3 405.564 1.866 20 0 HDADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000675937539 1075298819 /nfs/dbraw/zinc/29/88/19/1075298819.db2.gz YYJLDZDVYKMKAN-KRWDZBQOSA-N 0 3 416.522 1.745 20 0 HDADHN CS(=O)(=O)c1cccc(Cl)c1CNCCCCN1CCN(CCO)CC1 ZINC000543651771 1075300225 /nfs/dbraw/zinc/30/02/25/1075300225.db2.gz LINVWNAKRDUXSK-UHFFFAOYSA-N 0 3 403.976 1.223 20 0 HDADHN CCOc1ccc(NC(=O)CN2CCN(C(=O)N[C@@H]3CCCN(C)C3)CC2)cc1 ZINC000675963921 1075310359 /nfs/dbraw/zinc/31/03/59/1075310359.db2.gz VNISPVKQZUXYNB-GOSISDBHSA-N 0 3 403.527 1.445 20 0 HDADHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000676096114 1075358232 /nfs/dbraw/zinc/35/82/32/1075358232.db2.gz GGLORVAABDAERO-FQEVSTJZSA-N 0 3 404.474 1.987 20 0 HDADHN C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000676099432 1075365416 /nfs/dbraw/zinc/36/54/16/1075365416.db2.gz AIKCBFODSZDYIU-UHFFFAOYSA-N 0 3 410.272 1.168 20 0 HDADHN CC(C)(C)OC(=O)NC[C@H]1CCN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000731530693 1075377050 /nfs/dbraw/zinc/37/70/50/1075377050.db2.gz IFKYRACDRHFWTJ-WBVHZDCISA-N 0 3 418.494 1.711 20 0 HDADHN O=S(=O)(CCNC(=S)NC1CCN(Cc2ccccc2)CC1)NCC1CCC1 ZINC000731567509 1075390388 /nfs/dbraw/zinc/39/03/88/1075390388.db2.gz MRXSXRVNXCJZNO-UHFFFAOYSA-N 0 3 424.636 1.835 20 0 HDADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000804093436 1075393360 /nfs/dbraw/zinc/39/33/60/1075393360.db2.gz NTPOAZHGEQSYIZ-BRWVUGGUSA-N 0 3 410.559 1.929 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)c2ccccc2O1 ZINC000676190526 1075420635 /nfs/dbraw/zinc/42/06/35/1075420635.db2.gz PNSFJIZGKNJYMA-OPAMFIHVSA-N 0 3 408.458 1.711 20 0 HDADHN Cc1cccc(CN(CCN(C)C)C(=O)COc2ccc(S(N)(=O)=O)cc2)c1 ZINC000676194825 1075431380 /nfs/dbraw/zinc/43/13/80/1075431380.db2.gz JPVFMCRZNGCLBW-UHFFFAOYSA-N 0 3 405.520 1.612 20 0 HDADHN C[C@H](NC(=O)NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1CN(C)CCO1 ZINC000676243383 1075445854 /nfs/dbraw/zinc/44/58/54/1075445854.db2.gz LQNQVIXIXMUXOF-FPOVZHCZSA-N 0 3 403.571 1.607 20 0 HDADHN CS(=O)(=O)CCN1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000731685818 1075448110 /nfs/dbraw/zinc/44/81/10/1075448110.db2.gz CFECKMLLNATNFR-IBGZPJMESA-N 0 3 408.568 1.069 20 0 HDADHN CN(C(=O)NCCC(=O)N1CCN(C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470737439 1075480752 /nfs/dbraw/zinc/48/07/52/1075480752.db2.gz ONMFEAGSFFNUJX-HXUWFJFHSA-N 0 3 401.555 1.457 20 0 HDADHN COc1cc(OC)cc(N2C[C@@H](C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC2=O)c1 ZINC000676344565 1075518703 /nfs/dbraw/zinc/51/87/03/1075518703.db2.gz PJANQMHOTFCZKW-DOTOQJQBSA-N 0 3 417.506 1.426 20 0 HDADHN Cc1cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc(S(=O)(=O)N(C)C)c1C ZINC000676345280 1075519069 /nfs/dbraw/zinc/51/90/69/1075519069.db2.gz JBEVEMMDOWDFRA-GOSISDBHSA-N 0 3 409.552 1.537 20 0 HDADHN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NC3CCN([C@H]4CCOC4)CC3)cc12 ZINC000676345628 1075519551 /nfs/dbraw/zinc/51/95/51/1075519551.db2.gz VPLYNSWUKBUSSV-ZFWWWQNUSA-N 0 3 419.551 1.431 20 0 HDADHN COCCOC(=O)c1sc2[nH]c(CN3CCC[C@H](N(C)C)C3)nc(=O)c2c1C ZINC000731846353 1075530356 /nfs/dbraw/zinc/53/03/56/1075530356.db2.gz WVZIHIXHKSFUHJ-ZDUSSCGKSA-N 0 3 408.524 1.622 20 0 HDADHN C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCC(=O)NCC(=O)N1CCCC1 ZINC000731847567 1075530633 /nfs/dbraw/zinc/53/06/33/1075530633.db2.gz WKLTXRBYNYBFQJ-IIBYNOLFSA-N 0 3 410.559 1.788 20 0 HDADHN CCOC(=O)N1CCC(S(=O)(=O)N(CCN(C)C)C[C@H]2CCCN2CC)CC1 ZINC000731853469 1075534701 /nfs/dbraw/zinc/53/47/01/1075534701.db2.gz FMGFLZSEQAXOGU-QGZVFWFLSA-N 0 3 418.604 1.285 20 0 HDADHN COc1ccc(N2C[C@H](C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC2=O)c(OC)c1 ZINC000676394022 1075541468 /nfs/dbraw/zinc/54/14/68/1075541468.db2.gz WKHDHWZAEFQACR-NVXWUHKLSA-N 0 3 417.506 1.426 20 0 HDADHN COc1ccc(N2C[C@@H](C(=O)NC3CCN([C@H]4CCOC4)CC3)CC2=O)c(OC)c1 ZINC000676394023 1075541539 /nfs/dbraw/zinc/54/15/39/1075541539.db2.gz WKHDHWZAEFQACR-RDJZCZTQSA-N 0 3 417.506 1.426 20 0 HDADHN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676393543 1075541766 /nfs/dbraw/zinc/54/17/66/1075541766.db2.gz PSELOBCVPFKNFD-QGZVFWFLSA-N 0 3 415.515 1.718 20 0 HDADHN COC[C@@H]1CCCN1C(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000676457864 1075554251 /nfs/dbraw/zinc/55/42/51/1075554251.db2.gz XZXJVKGVDZZCLG-OALUTQOASA-N 0 3 411.506 1.906 20 0 HDADHN Cc1cccc(C2N=NC(=S)N2CC(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000731885350 1075555156 /nfs/dbraw/zinc/55/51/56/1075555156.db2.gz PBGDAGNKNNGATE-UHFFFAOYSA-N 0 3 402.568 1.638 20 0 HDADHN C[C@H](c1cc(F)ccc1N1CCN(C)CC1)N1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O ZINC000804154301 1075555511 /nfs/dbraw/zinc/55/55/11/1075555511.db2.gz RIOJBMQDMXFTPN-DYVFJYSZSA-N 0 3 400.458 1.525 20 0 HDADHN O=C(NCCCn1cncn1)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000676451734 1075557850 /nfs/dbraw/zinc/55/78/50/1075557850.db2.gz RAHIUOQEPQHYJR-GOSISDBHSA-N 0 3 422.493 1.067 20 0 HDADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)C1 ZINC000676452518 1075558704 /nfs/dbraw/zinc/55/87/04/1075558704.db2.gz CKDIZXVNIMWXEF-CTNGQTDRSA-N 0 3 420.513 1.962 20 0 HDADHN CCCCCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000731870530 1075559669 /nfs/dbraw/zinc/55/96/69/1075559669.db2.gz ORKOXBKWIOIXEK-UHFFFAOYSA-N 0 3 421.567 1.908 20 0 HDADHN CCCCCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000731870530 1075559674 /nfs/dbraw/zinc/55/96/74/1075559674.db2.gz ORKOXBKWIOIXEK-UHFFFAOYSA-N 0 3 421.567 1.908 20 0 HDADHN CCCCCCN(C)CC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000731870530 1075559676 /nfs/dbraw/zinc/55/96/76/1075559676.db2.gz ORKOXBKWIOIXEK-UHFFFAOYSA-N 0 3 421.567 1.908 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000731899989 1075562825 /nfs/dbraw/zinc/56/28/25/1075562825.db2.gz ZXSZRQWPOGYNDG-HNNXBMFYSA-N 0 3 400.501 1.101 20 0 HDADHN C[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1nc2ccccc2s1 ZINC000804163698 1075567782 /nfs/dbraw/zinc/56/77/82/1075567782.db2.gz CXRCHMDMEYBKRM-AWEZNQCLSA-N 0 3 403.552 1.616 20 0 HDADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000484173071 1075570600 /nfs/dbraw/zinc/57/06/00/1075570600.db2.gz PWWOBNQCIWGXQR-AWEZNQCLSA-N 0 3 404.902 1.909 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)/C=C/c2cncc(C(=O)NC)c2)CC1 ZINC000731971438 1075579940 /nfs/dbraw/zinc/57/99/40/1075579940.db2.gz AZOVVOYGDHXKHU-CMDGGOBGSA-N 0 3 421.545 1.908 20 0 HDADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccccn2)C1 ZINC000676551122 1075584236 /nfs/dbraw/zinc/58/42/36/1075584236.db2.gz JYLHOXMCDGCNCF-HXUWFJFHSA-N 0 3 418.501 1.998 20 0 HDADHN CN(C(=O)Nc1ccn(CCN2CCOCC2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474619339 1075588948 /nfs/dbraw/zinc/58/89/48/1075588948.db2.gz DXKYFKGOFSAQDU-HXUWFJFHSA-N 0 3 412.538 1.954 20 0 HDADHN CN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@@H]1CCN(C2CC2)C1 ZINC000732036919 1075592453 /nfs/dbraw/zinc/59/24/53/1075592453.db2.gz ZBNCZZSCCOVGQC-QGZVFWFLSA-N 0 3 416.547 1.543 20 0 HDADHN NC(=O)C1CCN(Cc2cccc(NC(=O)CNC(=O)OCC(F)(F)F)c2)CC1 ZINC000732059109 1075597646 /nfs/dbraw/zinc/59/76/46/1075597646.db2.gz RJBDDYHYIUJRBZ-UHFFFAOYSA-N 0 3 416.400 1.611 20 0 HDADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000676615333 1075616783 /nfs/dbraw/zinc/61/67/83/1075616783.db2.gz QBOHFCZVGXCVHA-HNNXBMFYSA-N 0 3 409.437 1.939 20 0 HDADHN COc1cccc([C@@H](CNC(=O)Cc2c(C)nc3nc(N)nn3c2C)N2CCCC2)c1 ZINC000636952378 1075635743 /nfs/dbraw/zinc/63/57/43/1075635743.db2.gz DSRXVFAMYWUZKU-LJQANCHMSA-N 0 3 423.521 1.828 20 0 HDADHN CC(C)N1CCN([C@H]2CCN([C@@H](C)c3nc(N)nc(Nc4ccccc4)n3)C2)CC1 ZINC000532568241 1075660203 /nfs/dbraw/zinc/66/02/03/1075660203.db2.gz ZEFIDIWLIIHJRR-HKUYNNGSSA-N 0 3 410.570 1.781 20 0 HDADHN CNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000676722392 1075667665 /nfs/dbraw/zinc/66/76/65/1075667665.db2.gz FHZKSWLRSLUZRL-HOTGVXAUSA-N 0 3 414.597 1.854 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN(C3CC3)[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000732203150 1075675802 /nfs/dbraw/zinc/67/58/02/1075675802.db2.gz NAHOICPMNXYEJX-FQEVSTJZSA-N 0 3 420.579 1.419 20 0 HDADHN CC1CCN(CCNC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)CC1 ZINC000485296891 1075682740 /nfs/dbraw/zinc/68/27/40/1075682740.db2.gz HZJPWDWLYHRNHC-UHFFFAOYSA-N 0 3 411.554 1.771 20 0 HDADHN O=C(CCCN1CCN(c2ccccc2)CC1)NCc1ccc(-n2cncn2)nc1 ZINC000732269715 1075690104 /nfs/dbraw/zinc/69/01/04/1075690104.db2.gz HYPPIDBZZMRVGX-UHFFFAOYSA-N 0 3 405.506 1.881 20 0 HDADHN CCCn1ccnc1CCCN(C)CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000429260197 1075710091 /nfs/dbraw/zinc/71/00/91/1075710091.db2.gz ZURMHURGAIWGGS-UHFFFAOYSA-N 0 3 400.462 1.911 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000587089472 1075715197 /nfs/dbraw/zinc/71/51/97/1075715197.db2.gz ICVCIKSEPGWVAS-MRXNPFEDSA-N 0 3 416.551 2.193 20 0 HDADHN CCN1CCCN(C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000509256878 1075721420 /nfs/dbraw/zinc/72/14/20/1075721420.db2.gz LOCDVFMIKXJDPZ-OAHLLOKOSA-N 0 3 400.570 1.496 20 0 HDADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000437235128 1075722715 /nfs/dbraw/zinc/72/27/15/1075722715.db2.gz KFJWYPYZMCLFKU-UHFFFAOYSA-N 0 3 407.515 2.504 20 0 HDADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000524090295 1075723289 /nfs/dbraw/zinc/72/32/89/1075723289.db2.gz ZFRHHHXGBBPPIT-UHFFFAOYSA-N 0 3 424.480 1.994 20 0 HDADHN C[C@H]1[C@@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)CCN1Cc1ccccc1 ZINC000568549694 1075723308 /nfs/dbraw/zinc/72/33/08/1075723308.db2.gz KSTCDKLQJFSNDW-HOCLYGCPSA-N 0 3 401.540 1.615 20 0 HDADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000468609273 1075723644 /nfs/dbraw/zinc/72/36/44/1075723644.db2.gz HKVVACDAFKZFFY-UHFFFAOYSA-N 0 3 410.478 1.643 20 0 HDADHN CN(C)C[C@@H](NC(=O)Nc1ccn(CCN2CCOCC2)n1)c1ccc(Cl)cc1 ZINC000554888413 1075741736 /nfs/dbraw/zinc/74/17/36/1075741736.db2.gz PXPWNQCXBVMVCM-GOSISDBHSA-N 0 3 420.945 2.293 20 0 HDADHN CN(C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCN(C2CC2)C1 ZINC000732450808 1075741742 /nfs/dbraw/zinc/74/17/42/1075741742.db2.gz ZNDXSMLXXWILLL-SFHVURJKSA-N 0 3 409.575 1.807 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)N(C)C ZINC000732478159 1075757661 /nfs/dbraw/zinc/75/76/61/1075757661.db2.gz CJBALAZSTZOCQK-AWEZNQCLSA-N 0 3 404.511 1.985 20 0 HDADHN COC(=O)c1cc(S(=O)(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)oc1C ZINC000543690312 1075761205 /nfs/dbraw/zinc/76/12/05/1075761205.db2.gz GPMLYEJVBWVSFH-UHFFFAOYSA-N 0 3 413.540 1.413 20 0 HDADHN COCCN1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)CC1 ZINC000142454426 1075779890 /nfs/dbraw/zinc/77/98/90/1075779890.db2.gz OUYMETUVWJZJLR-UHFFFAOYSA-N 0 3 415.531 1.695 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cc(-c3ccccc3F)on2)CC1 ZINC000434075968 1075790412 /nfs/dbraw/zinc/79/04/12/1075790412.db2.gz DYMAJCJVPOUAJD-INIZCTEOSA-N 0 3 401.442 2.251 20 0 HDADHN C[C@H]1C[C@@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CN1Cc1ccccc1 ZINC000429257061 1075812139 /nfs/dbraw/zinc/81/21/39/1075812139.db2.gz NBCQDZYWVIXRLA-GOEBONIOSA-N 0 3 422.489 2.161 20 0 HDADHN Cc1cc(S(N)(=O)=O)cc(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)c1C ZINC000611039177 1075819087 /nfs/dbraw/zinc/81/90/87/1075819087.db2.gz OCIZBLLYVYAPRX-KRWDZBQOSA-N 0 3 408.568 1.191 20 0 HDADHN CCN1CCN(c2ccc(C(=O)NCC3CCN(S(=O)(=O)CC)CC3)cc2)CC1 ZINC000543600902 1075821005 /nfs/dbraw/zinc/82/10/05/1075821005.db2.gz TVAQHAWWHHYGCX-UHFFFAOYSA-N 0 3 422.595 1.620 20 0 HDADHN CCN1CCN(CCCNC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)CC1 ZINC000732752722 1075856534 /nfs/dbraw/zinc/85/65/34/1075856534.db2.gz JAGUXUJTXAOQHI-UHFFFAOYSA-N 0 3 411.572 1.925 20 0 HDADHN CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000732754683 1075857236 /nfs/dbraw/zinc/85/72/36/1075857236.db2.gz GQNMCUGULIXGFJ-QRVBRYPASA-N 0 3 405.564 1.446 20 0 HDADHN CS[C@@H]1CN(C(=O)[C@@H](NS(=O)(=O)c2ccccc2F)C(C)C)C[C@H]1N(C)C ZINC000611165450 1075865590 /nfs/dbraw/zinc/86/55/90/1075865590.db2.gz OWHJBSHTVKEOID-INMHGKMJSA-N 0 3 417.572 1.633 20 0 HDADHN COC(=O)c1cc(S(=O)(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)ccc1C ZINC000611167705 1075865987 /nfs/dbraw/zinc/86/59/87/1075865987.db2.gz CVIWZJIIFYZUCP-UHFFFAOYSA-N 0 3 423.579 1.961 20 0 HDADHN COC(=O)c1ccsc1N1CC[C@H](N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1=O ZINC000611244228 1075885416 /nfs/dbraw/zinc/88/54/16/1075885416.db2.gz LKDHHZDISZDKQR-HOTGVXAUSA-N 0 3 420.535 1.054 20 0 HDADHN CC(=O)N(C)c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cc1 ZINC000611367436 1075914087 /nfs/dbraw/zinc/91/40/87/1075914087.db2.gz BFTYOFHTADLGDT-HXUWFJFHSA-N 0 3 415.538 1.235 20 0 HDADHN Cc1cc(NC(=O)C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)ccc1N1C(=O)CCC1=O ZINC000733049609 1075955141 /nfs/dbraw/zinc/95/51/41/1075955141.db2.gz VJSSSUHUSNGEPZ-HOTGVXAUSA-N 0 3 414.506 1.966 20 0 HDADHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733159027 1075992170 /nfs/dbraw/zinc/99/21/70/1075992170.db2.gz WYEYDSVWYFWRLW-ZDUSSCGKSA-N 0 3 421.972 1.439 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000733170767 1076000592 /nfs/dbraw/zinc/00/05/92/1076000592.db2.gz RYBJYIPRDNTJRI-JEJOPICUSA-N 0 3 408.568 1.461 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000733171539 1076001356 /nfs/dbraw/zinc/00/13/56/1076001356.db2.gz YKJJGNCYKKLIMO-CXAGYDPISA-N 0 3 422.517 1.981 20 0 HDADHN COc1ccc([C@@H](CO)N(C)CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000733195461 1076001926 /nfs/dbraw/zinc/00/19/26/1076001926.db2.gz OBQJGCOKPWPYJM-QGZVFWFLSA-N 0 3 418.494 1.336 20 0 HDADHN NC(=O)CNC(=S)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000727075976 1076039130 /nfs/dbraw/zinc/03/91/30/1076039130.db2.gz YLKUFWIPBUMHNY-UHFFFAOYSA-N 0 3 417.501 1.557 20 0 HDADHN CN(CC(=O)Nc1ccc(Br)cn1)C(=S)NC1CCN(C)CC1 ZINC000727087028 1076041596 /nfs/dbraw/zinc/04/15/96/1076041596.db2.gz HZAHCAPATCZGIE-UHFFFAOYSA-N 0 3 400.346 1.683 20 0 HDADHN O=c1c(Br)c(Br)cnn1CN1CCN(C2CCC2)CC1 ZINC000733299000 1076042379 /nfs/dbraw/zinc/04/23/79/1076042379.db2.gz XZUSEIGUXRGYGO-UHFFFAOYSA-N 0 3 406.122 1.896 20 0 HDADHN COCCNC(=O)c1c2c(sc1NC(=O)CN[C@H](C)Cn1cccn1)CCCC2 ZINC000733366135 1076054305 /nfs/dbraw/zinc/05/43/05/1076054305.db2.gz MMCDCNQPUQUMEX-CQSZACIVSA-N 0 3 419.551 1.816 20 0 HDADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NCC(=O)N1CCCc2ccccc21 ZINC001082652031 1076061376 /nfs/dbraw/zinc/06/13/76/1076061376.db2.gz BIWTVLSIAANDHM-FTEWEBJXSA-N 0 3 409.530 1.826 20 0 HDADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NCc1ccc(S(C)(=O)=O)cc1 ZINC001082652310 1076061835 /nfs/dbraw/zinc/06/18/35/1076061835.db2.gz RVSOGNNRMNFLBK-XVCYEZIBSA-N 0 3 404.532 1.450 20 0 HDADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NCC(=O)N1CCc2ccccc2C1 ZINC001082653642 1076062044 /nfs/dbraw/zinc/06/20/44/1076062044.db2.gz VPAZCSUGBLSCRS-FEZKWAHGSA-N 0 3 409.530 1.431 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN3CCC[C@@H](CCC(N)=O)C3)cc2)CC1 ZINC000727158524 1076071287 /nfs/dbraw/zinc/07/12/87/1076071287.db2.gz TUIQMBFAFVWFSK-SFHVURJKSA-N 0 3 401.555 1.745 20 0 HDADHN C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)cc2)C[C@@H](C)O1 ZINC000727231690 1076085905 /nfs/dbraw/zinc/08/59/05/1076085905.db2.gz SEZXGGMUXJXWAM-MBOZVWFJSA-N 0 3 400.523 1.935 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@H](CCC(N)=O)C3)cc2)CC1 ZINC000727231552 1076086258 /nfs/dbraw/zinc/08/62/58/1076086258.db2.gz QOMFSVVTIYSJJG-QGZVFWFLSA-N 0 3 415.538 1.271 20 0 HDADHN COc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)c(C(=O)N(C)C)cc1OC ZINC000727232141 1076086813 /nfs/dbraw/zinc/08/68/13/1076086813.db2.gz XYROKCNTULUOOL-CQSZACIVSA-N 0 3 418.494 1.041 20 0 HDADHN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000727375726 1076100752 /nfs/dbraw/zinc/10/07/52/1076100752.db2.gz UMCLIONUTLMSNK-LEWJYISDSA-N 0 3 414.550 1.930 20 0 HDADHN CC(C)N(CCC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)C(=O)OC(C)(C)C ZINC000727486612 1076141662 /nfs/dbraw/zinc/14/16/62/1076141662.db2.gz NGXCDLUZAKGTOZ-QGZVFWFLSA-N 0 3 410.559 1.963 20 0 HDADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000733667967 1076148806 /nfs/dbraw/zinc/14/88/06/1076148806.db2.gz AGAWJPNKKLYKFA-SFHVURJKSA-N 0 3 402.495 1.958 20 0 HDADHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727753566 1076226011 /nfs/dbraw/zinc/22/60/11/1076226011.db2.gz WDJPDARSWSRWLW-HKUYNNGSSA-N 0 3 400.504 1.670 20 0 HDADHN CCN(CC)[C@H](CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1ccsc1 ZINC000727756060 1076230135 /nfs/dbraw/zinc/23/01/35/1076230135.db2.gz RAPFPWNGISHYFN-NVXWUHKLSA-N 0 3 408.549 1.977 20 0 HDADHN COc1cc(CN2CCC3(CNC(=O)C3)CC2)ccc1OCC(=O)N1CCCC1 ZINC000536678747 1076256679 /nfs/dbraw/zinc/25/66/79/1076256679.db2.gz IJKRGDGFHYYHLI-UHFFFAOYSA-N 0 3 401.507 1.799 20 0 HDADHN O=C([C@@H]1CN2CCN1CCC2)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000536532030 1076256704 /nfs/dbraw/zinc/25/67/04/1076256704.db2.gz NAQFTIALLFFVMQ-HOCLYGCPSA-N 0 3 422.455 1.844 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000727865582 1076275449 /nfs/dbraw/zinc/27/54/49/1076275449.db2.gz ZKLACIXYCMQKJH-CQSZACIVSA-N 0 3 403.932 1.431 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000728072590 1076332577 /nfs/dbraw/zinc/33/25/77/1076332577.db2.gz DVSNVBYBHUILKU-UONOGXRCSA-N 0 3 422.448 1.209 20 0 HDADHN CNS(=O)(=O)Cc1ccc(CNC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000027357424 1076359240 /nfs/dbraw/zinc/35/92/40/1076359240.db2.gz YHCJSOYXWGUENH-LJQANCHMSA-N 0 3 404.536 1.838 20 0 HDADHN COc1ccc([C@@H](CNC(=O)CN2CCC(C(N)=O)CC2)N2CCCCC2)cc1 ZINC000029695355 1076363338 /nfs/dbraw/zinc/36/33/38/1076363338.db2.gz BIXFQCULYFJRRR-HXUWFJFHSA-N 0 3 402.539 1.536 20 0 HDADHN COc1ccc([C@H](CNC(=O)CN2CCC(C(N)=O)CC2)N2CCCCC2)cc1 ZINC000029695360 1076363373 /nfs/dbraw/zinc/36/33/73/1076363373.db2.gz BIXFQCULYFJRRR-FQEVSTJZSA-N 0 3 402.539 1.536 20 0 HDADHN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NCCCN1CCc2ccccc2C1 ZINC000730097125 1076451482 /nfs/dbraw/zinc/45/14/82/1076451482.db2.gz CGZHWOXGBPCTDK-UHFFFAOYSA-N 0 3 407.518 1.986 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000730218193 1076480531 /nfs/dbraw/zinc/48/05/31/1076480531.db2.gz FURZYZRFDVKBCG-KSSFIOAISA-N 0 3 402.470 1.119 20 0 HDADHN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000730218267 1076480557 /nfs/dbraw/zinc/48/05/57/1076480557.db2.gz HGHLERYSZOQZFM-SJORKVTESA-N 0 3 408.543 1.717 20 0 HDADHN O=C(CCC(=O)N1CCCN(C[C@@H]2CCCO2)CC1)N1CCOc2ccccc21 ZINC000730277275 1076519559 /nfs/dbraw/zinc/51/95/59/1076519559.db2.gz LTLNZJZYWRHMQO-SFHVURJKSA-N 0 3 401.507 1.906 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000730381826 1076553323 /nfs/dbraw/zinc/55/33/23/1076553323.db2.gz AAVGWNMXDZWBBS-DLBZAZTESA-N 0 3 422.551 1.846 20 0 HDADHN COC(=O)NCCCC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000730748923 1076646656 /nfs/dbraw/zinc/64/66/56/1076646656.db2.gz BFGRMPYOVHMBJE-GOSISDBHSA-N 0 3 403.527 1.578 20 0 HDADHN O=C(Nc1cc(N2CCCC2=O)ccc1F)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000730917890 1076692095 /nfs/dbraw/zinc/69/20/95/1076692095.db2.gz AAIZKVHBVOEUTC-MRXNPFEDSA-N 0 3 402.470 1.978 20 0 HDADHN CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000731038188 1076716348 /nfs/dbraw/zinc/71/63/48/1076716348.db2.gz CIYSRRWGQRSXFX-HNNXBMFYSA-N 0 3 404.554 1.120 20 0 HDADHN C[C@@H]1CN(c2ccc(NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)cc2)C[C@H](C)O1 ZINC000731134616 1076737131 /nfs/dbraw/zinc/73/71/31/1076737131.db2.gz JYIIXOOEMHTCDV-JTDSTZFVSA-N 0 3 400.523 1.839 20 0 HDADHN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2NCCO[C@@H]2C1 ZINC001164389683 718822343 /nfs/dbraw/zinc/82/23/43/718822343.db2.gz JFBZONRJRNIIOG-CHWSQXEVSA-N 0 3 402.829 1.809 20 0 HDADHN COC(=O)[C@H]1CNCCN1C(F)(F)c1nc(Cl)ncc1C(=O)OCC1CC1 ZINC001164623940 719133470 /nfs/dbraw/zinc/13/34/70/719133470.db2.gz SMFJBNZNANGIQK-LLVKDONJSA-N 0 3 404.801 1.193 20 0 HDADHN COCCN1CCN(C)C2(CCN(c3cc(Cl)nc4c3CCNC4)CC2)C1=O ZINC001164639110 719278566 /nfs/dbraw/zinc/27/85/66/719278566.db2.gz HMRKAXQLNSCXDZ-UHFFFAOYSA-N 0 3 407.946 1.140 20 0 HDADHN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1cc(Cl)nc2c1CCNC2 ZINC001164704423 719865399 /nfs/dbraw/zinc/86/53/99/719865399.db2.gz LXIKTTOUGXJPDG-JLTOFOAXSA-N 0 3 408.930 1.613 20 0 HDADHN CN(Cc1ccc(N2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)nc1)C1CC1 ZINC001164701605 719884573 /nfs/dbraw/zinc/88/45/73/719884573.db2.gz NWDXAYNQCKYEKP-BHIYHBOVSA-N 0 3 408.506 1.803 20 0 HDADHN COC[C@@H]1CN(CC2CC2)C[C@]12CCN(c1cc(Cl)nc(S(C)(=O)=O)n1)C2 ZINC001164815379 720067569 /nfs/dbraw/zinc/06/75/69/720067569.db2.gz YWKBDKJPCXRBPU-KSSFIOAISA-N 0 3 414.959 1.718 20 0 HDADHN COC[C@@H]1CN(CC2CC2)C[C@@]12CCN(c1cc(OC)nc(S(C)(=O)=O)n1)C2 ZINC001164809968 720119076 /nfs/dbraw/zinc/11/90/76/720119076.db2.gz IZVCUJYXYIROSD-HNAYVOBHSA-N 0 3 410.540 1.073 20 0 HDADHN CCOC(=O)c1c[nH]c2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164740794 720650026 /nfs/dbraw/zinc/65/00/26/720650026.db2.gz JAIRURCOLNXXQO-KGLIPLIRSA-N 0 3 409.450 1.267 20 0 HDADHN CCOC(=O)c1cc2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2[nH]1 ZINC001164737581 720677526 /nfs/dbraw/zinc/67/75/26/720677526.db2.gz GJSIPIMGDBNSNK-JKSUJKDBSA-N 0 3 408.462 1.872 20 0 HDADHN CS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)N3CC3CC3)C2)nc1 ZINC001164743536 720843192 /nfs/dbraw/zinc/84/31/92/720843192.db2.gz IYEHJVBLLKSJPP-ZHALLVOQSA-N 0 3 416.551 1.456 20 0 HDADHN O=C(NC[C@@H]1OC[C@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@H]12)c1ccno1 ZINC001164855625 720912118 /nfs/dbraw/zinc/91/21/18/720912118.db2.gz IXOAWYWJRBEBRS-HBFSDRIKSA-N 0 3 411.506 1.937 20 0 HDADHN CN(Cc1ccc(N2CC[C@@H]3CO[C@H](CNC(=O)c4ccno4)[C@@H]3C2)nc1)C1CC1 ZINC001164859091 720912991 /nfs/dbraw/zinc/91/29/91/720912991.db2.gz OOYWBYPZMOEEQJ-YVWKXTFCSA-N 0 3 411.506 1.935 20 0 HDADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(c1cc(CN(C)C)ccn1)C2 ZINC001164864012 721036496 /nfs/dbraw/zinc/03/64/96/721036496.db2.gz WGNDQVUUKNBRTQ-JOCHJYFZSA-N 0 3 408.506 1.382 20 0 HDADHN CN1CCN(c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)CC1 ZINC001164867057 721051577 /nfs/dbraw/zinc/05/15/77/721051577.db2.gz HDVBQNQHCSURJD-VQTJNVASSA-N 0 3 409.538 1.103 20 0 HDADHN O=C1NCc2c1c(N1CCN3C[C@@H](OCc4cccnc4)C[C@H]3C1)nc(Cl)c2F ZINC001164865614 721099053 /nfs/dbraw/zinc/09/90/53/721099053.db2.gz NMQOYRSCECPXRH-KBPBESRZSA-N 0 3 417.872 1.992 20 0 HDADHN CN1CCN(c2nccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164879870 721167009 /nfs/dbraw/zinc/16/70/09/721167009.db2.gz UWKHPQNFOYOQCE-UXHICEINSA-N 0 3 409.538 1.103 20 0 HDADHN CCNC(=O)c1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867461 721196386 /nfs/dbraw/zinc/19/63/86/721196386.db2.gz GHKJTQPFWLYJMM-JKSUJKDBSA-N 0 3 416.913 1.754 20 0 HDADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc(N5CCCC5)n4)C3)O2)CC1 ZINC001164888058 721378847 /nfs/dbraw/zinc/37/88/47/721378847.db2.gz JFAHCIVMJISXFP-UGKGYDQZSA-N 0 3 400.571 1.842 20 0 HDADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(Cn5cncn5)cn4)C3)O2)CC1 ZINC001164899376 721434847 /nfs/dbraw/zinc/43/48/47/721434847.db2.gz YIZURXCASYTBJI-UNMCSNQZSA-N 0 3 411.554 1.487 20 0 HDADHN CN(Cc1cccnc1)[C@H]1CN(c2ccc(N3CCN(C)CC3)nn2)[C@H]2CCCO[C@H]12 ZINC001164801321 721530388 /nfs/dbraw/zinc/53/03/88/721530388.db2.gz DXJVDYGSFKGSGU-JTAQYXEDSA-N 0 3 423.565 1.492 20 0 HDADHN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(c1ncccc1CN1CCCC1)C2 ZINC001165016222 721788286 /nfs/dbraw/zinc/78/82/86/721788286.db2.gz CWUIQFQOZBWKRU-QFIPXVFZSA-N 0 3 402.539 1.768 20 0 HDADHN Clc1[nH]nc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)c2ncnc1-2 ZINC001164916012 721788647 /nfs/dbraw/zinc/78/86/47/721788647.db2.gz NLHUROUEJGQKCG-IBGZPJMESA-N 0 3 415.885 1.509 20 0 HDADHN Clc1[nH]nc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)c2ncnc1-2 ZINC001164916013 721788882 /nfs/dbraw/zinc/78/88/82/721788882.db2.gz NLHUROUEJGQKCG-LJQANCHMSA-N 0 3 415.885 1.509 20 0 HDADHN Cn1ccc(CN2CCOCC23CCN(c2cc(Cl)nc4c2CCNC4)CC3)n1 ZINC001164936251 721907358 /nfs/dbraw/zinc/90/73/58/721907358.db2.gz OSCSRSLYUBAKOU-UHFFFAOYSA-N 0 3 416.957 1.986 20 0 HDADHN c1cc(CN2CCOCC3(CCN(c4cc(N5CCOCC5)ncn4)CC3)C2)ccn1 ZINC001164961906 722052908 /nfs/dbraw/zinc/05/29/08/722052908.db2.gz XZWYMEYBNJPEIK-UHFFFAOYSA-N 0 3 424.549 1.827 20 0 HDADHN Cn1ccnc1C(=O)N[C@@H]1CN(c2ncccc2CN2CCCC2)[C@H]2CCCO[C@@H]12 ZINC001164984068 722093770 /nfs/dbraw/zinc/09/37/70/722093770.db2.gz VDEJBIJQAZIHSF-QYZOEREBSA-N 0 3 410.522 1.577 20 0 HDADHN NC(=O)c1cnc(Cl)cc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981796 722102891 /nfs/dbraw/zinc/10/28/91/722102891.db2.gz MKSKVSYODNMXRR-YJBOKZPZSA-N 0 3 401.898 1.956 20 0 HDADHN NC(=O)c1cc(Cl)cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984375 722103618 /nfs/dbraw/zinc/10/36/18/722103618.db2.gz SWZWRTREIVSBGU-CRAIPNDOSA-N 0 3 401.898 1.956 20 0 HDADHN CCOC(=O)Cc1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164981469 722131347 /nfs/dbraw/zinc/13/13/47/722131347.db2.gz ORZZWLIGRSSTIY-QUCCMNQESA-N 0 3 411.506 1.705 20 0 HDADHN c1ncn(Cc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2)n1 ZINC001164977029 722141380 /nfs/dbraw/zinc/14/13/80/722141380.db2.gz HUCUWBQSJIDWBK-RTWAWAEBSA-N 0 3 405.506 1.844 20 0 HDADHN CON(C)C(=O)c1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164978937 722148428 /nfs/dbraw/zinc/14/84/28/722148428.db2.gz LCDQANCKPPHASV-WOJBJXKFSA-N 0 3 411.506 1.837 20 0 HDADHN NC(=O)c1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(C2CC2)n1 ZINC001164971690 722158064 /nfs/dbraw/zinc/15/80/64/722158064.db2.gz DACJLNKZOZZCOM-HKUYNNGSSA-N 0 3 408.506 1.575 20 0 HDADHN COC(=O)C[C@H]1CN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000429046406 1073462527 /nfs/dbraw/zinc/46/25/27/1073462527.db2.gz NJCJXIBVQAOVHM-OALUTQOASA-N 0 3 405.495 1.251 20 0 HDADHN O=C(CCNS(=O)(=O)c1ccccc1F)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000625189595 1073555457 /nfs/dbraw/zinc/55/54/57/1073555457.db2.gz NEZJKYYNWPYGCO-INIZCTEOSA-N 0 3 413.515 1.207 20 0 HDADHN CC(C)(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2)N1CCCCC1 ZINC001004706514 1073556125 /nfs/dbraw/zinc/55/61/25/1073556125.db2.gz WPOLSARPSKWEOJ-VIVHBNLFSA-N 0 3 401.551 1.922 20 0 HDADHN Cc1cccc(N2CCN(CCC(=O)N[C@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)CC2)c1 ZINC000673684794 1073640109 /nfs/dbraw/zinc/64/01/09/1073640109.db2.gz JSABLUSDAHAHKM-NQIIRXRSSA-N 0 3 424.549 1.551 20 0 HDADHN C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000673716689 1073648823 /nfs/dbraw/zinc/64/88/23/1073648823.db2.gz YVJHCMCFSKNYOR-LPHOPBHVSA-N 0 3 416.547 1.867 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000673757442 1073692288 /nfs/dbraw/zinc/69/22/88/1073692288.db2.gz QFELFDYOUALJCL-HXUWFJFHSA-N 0 3 402.583 1.810 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2CCCN2c2ncccn2)CC1 ZINC000673831080 1073788983 /nfs/dbraw/zinc/78/89/83/1073788983.db2.gz GLPBZAIPNRVJGB-OAQYLSRUSA-N 0 3 408.550 1.899 20 0 HDADHN O=C(NCc1nnnn1-c1ccccc1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000673879189 1073851450 /nfs/dbraw/zinc/85/14/50/1073851450.db2.gz WQSOQRSHVMLFKS-AZUAARDMSA-N 0 3 421.505 1.345 20 0 HDADHN CC(C)OCCN1CCC(NC(=O)N2CCN(C(=O)c3cccn3C)CC2)CC1 ZINC000673882730 1073853768 /nfs/dbraw/zinc/85/37/68/1073853768.db2.gz PTOSAOUTIBPQMR-UHFFFAOYSA-N 0 3 405.543 1.382 20 0 HDADHN Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000673883554 1073854610 /nfs/dbraw/zinc/85/46/10/1073854610.db2.gz KWQHPRXGQXQGKE-NRFANRHFSA-N 0 3 414.550 1.992 20 0 HDADHN C[C@@H]1CN(CC2CCN(C(=O)NC3CCN(c4cccnn4)CC3)CC2)C[C@H](C)O1 ZINC000429175637 1073949382 /nfs/dbraw/zinc/94/93/82/1073949382.db2.gz KDMYVETYDAABNX-HDICACEKSA-N 0 3 416.570 1.976 20 0 HDADHN CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000429191004 1074028230 /nfs/dbraw/zinc/02/82/30/1074028230.db2.gz GCNWAEJWZSJAJM-QGZVFWFLSA-N 0 3 411.572 1.125 20 0 HDADHN C[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000766054360 1074092915 /nfs/dbraw/zinc/09/29/15/1074092915.db2.gz USXMCNBPPWZRNE-SGANQWHYSA-N 0 3 402.582 1.905 20 0 HDADHN COCCn1ncc2ccc(NC(=O)C(=O)NC[C@@]3(N(C)C)CCSC3)cc21 ZINC000674040685 1074122638 /nfs/dbraw/zinc/12/26/38/1074122638.db2.gz USUVTNGLMVNFSI-IBGZPJMESA-N 0 3 405.524 1.175 20 0 HDADHN O=C(NCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)c1cnccn1 ZINC000509209362 1074132106 /nfs/dbraw/zinc/13/21/06/1074132106.db2.gz GROCYKHCHMRFLU-MRXNPFEDSA-N 0 3 403.433 1.480 20 0 HDADHN CCN(CCO)CCNC(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 ZINC000470593303 1074159310 /nfs/dbraw/zinc/15/93/10/1074159310.db2.gz XMGQIMSJEUOHNI-UHFFFAOYSA-N 0 3 411.930 1.631 20 0 HDADHN CCCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000674193381 1074207985 /nfs/dbraw/zinc/20/79/85/1074207985.db2.gz XYKPSFIVHKTXQL-GOSISDBHSA-N 0 3 422.551 1.767 20 0 HDADHN O=C(Nc1cnc(C2CC2)nc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000674217715 1074229877 /nfs/dbraw/zinc/22/98/77/1074229877.db2.gz HEOQPSSEGRVVEW-HKUYNNGSSA-N 0 3 409.490 1.292 20 0 HDADHN COC1CCN(CCNC(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)CC1 ZINC000674316541 1074265918 /nfs/dbraw/zinc/26/59/18/1074265918.db2.gz JPJHGGBSUZDEKI-UHFFFAOYSA-N 0 3 410.540 1.607 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H](NC(=O)NCc2ccc(F)cc2)C(C)C)CC1 ZINC000674324554 1074274230 /nfs/dbraw/zinc/27/42/30/1074274230.db2.gz QHCNFSOQRIGXCW-IBGZPJMESA-N 0 3 408.518 1.877 20 0 HDADHN COC1CCN(CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 ZINC000674324707 1074274348 /nfs/dbraw/zinc/27/43/48/1074274348.db2.gz QEITVUGUVJEPRC-QGZVFWFLSA-N 0 3 422.913 1.772 20 0 HDADHN COC1CCN(CCNC(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)CC1 ZINC000674317409 1074279553 /nfs/dbraw/zinc/27/95/53/1074279553.db2.gz QZQMBLDLLSPEPY-UHFFFAOYSA-N 0 3 403.462 1.911 20 0 HDADHN O=C(CN[C@@H]1Cc2cccc(O)c2C1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000429227105 1074291729 /nfs/dbraw/zinc/29/17/29/1074291729.db2.gz CVPAZDAYORVWRF-QGZVFWFLSA-N 0 3 415.515 1.872 20 0 HDADHN CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000674397629 1074311031 /nfs/dbraw/zinc/31/10/31/1074311031.db2.gz HAWHOXNTKSPJAR-SFTDATJTSA-N 0 3 404.555 1.548 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1=O ZINC000674427692 1074330999 /nfs/dbraw/zinc/33/09/99/1074330999.db2.gz QWZZPYVPVOOCMM-HMFYCAOWSA-N 0 3 413.522 1.671 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1=O ZINC000674438129 1074335620 /nfs/dbraw/zinc/33/56/20/1074335620.db2.gz GUHZDQWNEIEQDH-SPEDKVCISA-N 0 3 413.522 1.843 20 0 HDADHN CCN1C(=O)[C@@H]2CN(C(=O)[C@H](C)N3CCC(Cc4ccccc4)CC3)CCN2C1=O ZINC000674543605 1074425420 /nfs/dbraw/zinc/42/54/20/1074425420.db2.gz ARUVBAMFDGYIDA-PXNSSMCTSA-N 0 3 412.534 1.825 20 0 HDADHN CCN1C(=O)[C@@H]2CN(C(=O)c3ccc(N4CCN(C(C)C)CC4)cc3)CCN2C1=O ZINC000674594016 1074472890 /nfs/dbraw/zinc/47/28/90/1074472890.db2.gz CLHCRNZJGLZSOC-IBGZPJMESA-N 0 3 413.522 1.326 20 0 HDADHN CCN1C(=O)[C@H]2CN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)CCN2C1=O ZINC000674595208 1074474409 /nfs/dbraw/zinc/47/44/09/1074474409.db2.gz TWXGAIZCBYIGEL-FUHWJXTLSA-N 0 3 402.470 1.533 20 0 HDADHN CN(C)CCN(CC1CCCCC1)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000674644635 1074503522 /nfs/dbraw/zinc/50/35/22/1074503522.db2.gz XIDVLTIBDZHKGF-UWJYYQICSA-N 0 3 407.559 1.860 20 0 HDADHN CNS(=O)(=O)Cc1ccc(CNC(=O)N(CCN(C)C)Cc2ccco2)cc1 ZINC000674859001 1074594755 /nfs/dbraw/zinc/59/47/55/1074594755.db2.gz FNKINHIOEPAAKP-UHFFFAOYSA-N 0 3 408.524 1.602 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCO[C@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000674917456 1074614676 /nfs/dbraw/zinc/61/46/76/1074614676.db2.gz JTQZAWZDSLLPTD-YADHBBJMSA-N 0 3 416.566 1.914 20 0 HDADHN CCN(CC)[C@@H](CNC(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)c1ccsc1 ZINC000675087886 1074702618 /nfs/dbraw/zinc/70/26/18/1074702618.db2.gz MSPLNDLZXNSJIZ-JKSUJKDBSA-N 0 3 407.540 1.809 20 0 HDADHN COC(=O)CCc1nnc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)s1 ZINC000561809836 1074726935 /nfs/dbraw/zinc/72/69/35/1074726935.db2.gz DYZWXJCPQPYKGO-UKRRQHHQSA-N 0 3 403.508 2.428 20 0 HDADHN COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)C1=O ZINC000675127679 1074733413 /nfs/dbraw/zinc/73/34/13/1074733413.db2.gz NMHCPYQANDVCDD-DLBZAZTESA-N 0 3 416.522 1.153 20 0 HDADHN CC(C)(C)N1C[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CC1=O ZINC000429322280 1074754336 /nfs/dbraw/zinc/75/43/36/1074754336.db2.gz JSRFNCXWXIIIHJ-GUDVDZBRSA-N 0 3 402.539 1.568 20 0 HDADHN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN[C@H]1Cc2cccc(O)c2C1 ZINC000429323448 1074757896 /nfs/dbraw/zinc/75/78/96/1074757896.db2.gz WIJKIHADPXAKLO-OXJNMPFZSA-N 0 3 407.470 1.831 20 0 HDADHN CCC(CC)NS(=O)(=O)c1ccc(NC[C@@H](C)CN2CCN(CC)CC2)nc1 ZINC000443452488 1074782823 /nfs/dbraw/zinc/78/28/23/1074782823.db2.gz ZAISQLFTBNLQTA-QGZVFWFLSA-N 0 3 411.616 2.234 20 0 HDADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675295057 1074789631 /nfs/dbraw/zinc/78/96/31/1074789631.db2.gz JAQGBKHHPYDBSM-CJNGLKHVSA-N 0 3 408.449 1.177 20 0 HDADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCC[C@@H](C)C1 ZINC000675317759 1074797767 /nfs/dbraw/zinc/79/77/67/1074797767.db2.gz BAFHFANKJPBFAB-IIDMSEBBSA-N 0 3 420.941 1.798 20 0 HDADHN CCCn1ccnc1CCCN(C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000429248037 1075094083 /nfs/dbraw/zinc/09/40/83/1075094083.db2.gz LPUSGXPCNONLGK-UHFFFAOYSA-N 0 3 407.540 1.752 20 0 HDADHN COCCN1CCC(NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000477674640 1075104362 /nfs/dbraw/zinc/10/43/62/1075104362.db2.gz DSKKVESEYNMDIE-UHFFFAOYSA-N 0 3 402.322 1.879 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000509328652 1075113292 /nfs/dbraw/zinc/11/32/92/1075113292.db2.gz STHUGOSQZWJRHH-QZTJIDSGSA-N 0 3 411.591 1.070 20 0 HDADHN CC(C)CS(=O)(=O)N1CCC(N[C@H](C)CS(=O)(=O)c2ccccc2)CC1 ZINC000543626975 1075140946 /nfs/dbraw/zinc/14/09/46/1075140946.db2.gz ORTQEQWSRKSQRJ-MRXNPFEDSA-N 0 3 402.582 1.889 20 0 HDADHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c2ccccc2O1 ZINC000675469075 1075163650 /nfs/dbraw/zinc/16/36/50/1075163650.db2.gz CPYYAXAJDSCDRI-HNNXBMFYSA-N 0 3 401.488 1.490 20 0 HDADHN CN1CCN(CCCNC(=O)N2CCC(S(C)(=O)=O)CC2)[C@H](c2ccccc2)C1 ZINC000675480667 1075171453 /nfs/dbraw/zinc/17/14/53/1075171453.db2.gz SMYVKPDTTMWYDP-FQEVSTJZSA-N 0 3 422.595 1.584 20 0 HDADHN CCNC(=O)N1CC[C@@H](NC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)C1 ZINC000675482100 1075171798 /nfs/dbraw/zinc/17/17/98/1075171798.db2.gz CGHGYMKQIUFCBU-MRXNPFEDSA-N 0 3 411.510 1.097 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2O1 ZINC000675490253 1075175022 /nfs/dbraw/zinc/17/50/22/1075175022.db2.gz PYZFGCYGJXXTEX-MRXNPFEDSA-N 0 3 403.504 1.906 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)c2ccccc2O1 ZINC000675491459 1075175596 /nfs/dbraw/zinc/17/55/96/1075175596.db2.gz NBUYSWSRRWPYLJ-GOSISDBHSA-N 0 3 417.531 1.748 20 0 HDADHN C[C@@H](C(=O)N1C[C@H](CN(C)C)Oc2ccccc21)N1C(=O)NC2(CCCC2)C1=O ZINC000675491932 1075176083 /nfs/dbraw/zinc/17/60/83/1075176083.db2.gz VYSLHFKJKMAQBM-GJZGRUSLSA-N 0 3 400.479 1.595 20 0 HDADHN CCN(C(=O)C(=O)Nc1ccn(-c2ccncc2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000446877496 1075187242 /nfs/dbraw/zinc/18/72/42/1075187242.db2.gz MJWMCZPHLIDCLX-FQEVSTJZSA-N 0 3 418.501 2.329 20 0 HDADHN CS(=O)(=O)c1ccc(OCCCC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000675537118 1075194301 /nfs/dbraw/zinc/19/43/01/1075194301.db2.gz VFJAYTREBBDBHI-QGZVFWFLSA-N 0 3 410.536 1.619 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000675537468 1075194520 /nfs/dbraw/zinc/19/45/20/1075194520.db2.gz AWNVHDQUDGUSIO-YJBOKZPZSA-N 0 3 415.490 1.180 20 0 HDADHN CCOc1ccccc1N1C[C@H](C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1=O ZINC000675536889 1075194568 /nfs/dbraw/zinc/19/45/68/1075194568.db2.gz NROZRFLGEIAPTM-AEFFLSMTSA-N 0 3 401.507 1.808 20 0 HDADHN COc1ccc(CN2C[C@@H](C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC2=O)cc1 ZINC000675538709 1075195917 /nfs/dbraw/zinc/19/59/17/1075195917.db2.gz MCACZQRSVDMKGM-PKOBYXMFSA-N 0 3 401.507 1.413 20 0 HDADHN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(OC)nn1)c1cccc(OC)c1 ZINC000556507144 1075209267 /nfs/dbraw/zinc/20/92/67/1075209267.db2.gz RKFKILHZAUJKHZ-INIZCTEOSA-N 0 3 401.467 1.632 20 0 HDADHN C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C(=O)N1c1cnn(C)c1 ZINC000675576131 1075209975 /nfs/dbraw/zinc/20/99/75/1075209975.db2.gz GJBKSFMMGDBTQG-POAQFYNOSA-N 0 3 410.522 1.830 20 0 HDADHN C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C(=O)N1c1cnn(C)c1 ZINC000675576132 1075210042 /nfs/dbraw/zinc/21/00/42/1075210042.db2.gz GJBKSFMMGDBTQG-YVWKXTFCSA-N 0 3 410.522 1.830 20 0 HDADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675582080 1075212651 /nfs/dbraw/zinc/21/26/51/1075212651.db2.gz SMDPWMVEEZGVKC-NFBKMPQASA-N 0 3 414.550 1.714 20 0 HDADHN CN1CCN(Cc2ccc(CNC(=O)C(=O)Nc3cnn(CC4CC4)c3)cc2)CC1 ZINC000675588004 1075226742 /nfs/dbraw/zinc/22/67/42/1075226742.db2.gz OJJWMGJYZXPDCH-UHFFFAOYSA-N 0 3 410.522 1.295 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)Nc3cc(C(C)C)on3)cc2)CC1 ZINC000441783966 1075232477 /nfs/dbraw/zinc/23/24/77/1075232477.db2.gz DHEICODPLNTACT-UHFFFAOYSA-N 0 3 413.522 2.190 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)Nc2cc(C(C)C)on2)CC1 ZINC000441793570 1075232815 /nfs/dbraw/zinc/23/28/15/1075232815.db2.gz UQNAKYKXDKCKPT-UHFFFAOYSA-N 0 3 413.522 2.190 20 0 HDADHN O=C(Nc1cnn(CC2CC2)c1)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000675598445 1075235353 /nfs/dbraw/zinc/23/53/53/1075235353.db2.gz UYBLSBRZEDUXFH-ICSRJNTNSA-N 0 3 411.506 1.231 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCCn2cnc3ccccc32)CC1 ZINC000509366657 1075266717 /nfs/dbraw/zinc/26/67/17/1075266717.db2.gz OZQJANUPENVOGM-UHFFFAOYSA-N 0 3 400.527 1.622 20 0 HDADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000509369052 1075269728 /nfs/dbraw/zinc/26/97/28/1075269728.db2.gz FOOKDJUVGRJXLG-UHFFFAOYSA-N 0 3 409.405 1.172 20 0 HDADHN COCCOCc1cccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000675859964 1075284609 /nfs/dbraw/zinc/28/46/09/1075284609.db2.gz IEMJMOZMRXVOCX-IBGZPJMESA-N 0 3 404.511 1.620 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000675898913 1075288112 /nfs/dbraw/zinc/28/81/12/1075288112.db2.gz RYEQBHJQXRYSMD-RDTXWAMCSA-N 0 3 416.349 1.972 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(Cc2cn3cc(Br)ccc3n2)CC1 ZINC000675900021 1075288500 /nfs/dbraw/zinc/28/85/00/1075288500.db2.gz UAKKYSFUBBLELR-INIZCTEOSA-N 0 3 406.328 1.835 20 0 HDADHN Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000731465684 1075357240 /nfs/dbraw/zinc/35/72/40/1075357240.db2.gz LOMQTXULFGIEBM-QGZVFWFLSA-N 0 3 420.517 1.897 20 0 HDADHN CCn1c(=O)c2ccccc2n(CC(=O)N2C[C@H](N(C)C)Cc3ccccc32)c1=O ZINC000731469086 1075358104 /nfs/dbraw/zinc/35/81/04/1075358104.db2.gz NKHQJIXXYHFKPV-QGZVFWFLSA-N 0 3 406.486 1.703 20 0 HDADHN CC(C)CNC(=O)C1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000731487246 1075367134 /nfs/dbraw/zinc/36/71/34/1075367134.db2.gz HKYAHPVAKZGRPQ-GOSISDBHSA-N 0 3 402.495 1.348 20 0 HDADHN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000448507478 1075428594 /nfs/dbraw/zinc/42/85/94/1075428594.db2.gz HXEZPBXBIIRNIJ-KRWDZBQOSA-N 0 3 424.480 1.942 20 0 HDADHN C[C@H](NC(=O)NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CN(C)CCO1 ZINC000676243047 1075444086 /nfs/dbraw/zinc/44/40/86/1075444086.db2.gz GSQPAOCAUOWYSU-PZJWPPBQSA-N 0 3 403.571 1.213 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000676242748 1075444648 /nfs/dbraw/zinc/44/46/48/1075444648.db2.gz AOQNBYVBRZWAHL-GHTZIAJQSA-N 0 3 403.571 1.342 20 0 HDADHN COc1ccc([C@H](CNc2nc(C)c(S(N)(=O)=O)s2)N(C)C)cc1OC ZINC000570062335 1075457734 /nfs/dbraw/zinc/45/77/34/1075457734.db2.gz WEGDTMKVZYXWDS-LBPRGKRZSA-N 0 3 400.526 1.831 20 0 HDADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)Nc1ccn(C)n1 ZINC000448539508 1075479435 /nfs/dbraw/zinc/47/94/35/1075479435.db2.gz VMOQNSDERKUJSP-QGZVFWFLSA-N 0 3 407.478 1.949 20 0 HDADHN CC[C@H](CNC(=O)N1CCN(CC(=O)N(C)C)CC1)N1CCc2ccccc2C1 ZINC000676290489 1075495161 /nfs/dbraw/zinc/49/51/61/1075495161.db2.gz ZKPFSACYNGNVET-HXUWFJFHSA-N 0 3 401.555 1.239 20 0 HDADHN CNC(=O)C1CCC(NC(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000543670013 1075509956 /nfs/dbraw/zinc/50/99/56/1075509956.db2.gz VWAXTOJKZKDBFV-UHFFFAOYSA-N 0 3 402.539 1.747 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000676341461 1075515650 /nfs/dbraw/zinc/51/56/50/1075515650.db2.gz QSBXQPOPECTPLA-GOSISDBHSA-N 0 3 407.536 1.358 20 0 HDADHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000676345243 1075517939 /nfs/dbraw/zinc/51/79/39/1075517939.db2.gz NAIQRENTPZRUOI-INIZCTEOSA-N 0 3 401.511 1.593 20 0 HDADHN Cc1nc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)nn1C ZINC000559572379 1075519900 /nfs/dbraw/zinc/51/99/00/1075519900.db2.gz MRSYHMGOPJEQIM-UHFFFAOYSA-N 0 3 412.416 1.671 20 0 HDADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000676351861 1075528882 /nfs/dbraw/zinc/52/88/82/1075528882.db2.gz LGYOHINHJYYCPA-UHFFFAOYSA-N 0 3 414.484 1.103 20 0 HDADHN CCN(CC)CCNS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br ZINC000731850099 1075532435 /nfs/dbraw/zinc/53/24/35/1075532435.db2.gz OIKGDJOCKBTLKJ-UHFFFAOYSA-N 0 3 411.293 1.995 20 0 HDADHN Cc1c(C(=O)NC2CCN([C@H]3CCOC3)CC2)sc2nc3n(c(=O)c12)CCC3 ZINC000676392357 1075541494 /nfs/dbraw/zinc/54/14/94/1075541494.db2.gz FKZDHKJJCVZXNV-AWEZNQCLSA-N 0 3 402.520 1.696 20 0 HDADHN CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676393579 1075541869 /nfs/dbraw/zinc/54/18/69/1075541869.db2.gz QDVSKPWHQWOREZ-WOJBJXKFSA-N 0 3 402.539 1.880 20 0 HDADHN O=C(CCN1CCC[C@H]1[C@@H](O)C(F)(F)F)NN1C(=O)NC2(CCCCC2)C1=O ZINC000731842900 1075548067 /nfs/dbraw/zinc/54/80/67/1075548067.db2.gz JYXNYMQWCJNYLH-WCQYABFASA-N 0 3 406.405 1.050 20 0 HDADHN CC[C@@H](C)Oc1cc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1OC ZINC000676417389 1075548678 /nfs/dbraw/zinc/54/86/78/1075548678.db2.gz BTUIHJACYTXDCG-IEBWSBKVSA-N 0 3 405.539 1.895 20 0 HDADHN Cc1cc(CNC(=O)C(=O)Nc2cc(C)nn2[C@@H]2CCN(Cc3ccccc3)C2)[nH]n1 ZINC000676453243 1075558182 /nfs/dbraw/zinc/55/81/82/1075558182.db2.gz KLURSKDFVJETTN-LJQANCHMSA-N 0 3 421.505 1.925 20 0 HDADHN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000504531068 1075569876 /nfs/dbraw/zinc/56/98/76/1075569876.db2.gz AOMXHXKPCDBQPX-RTBURBONSA-N 0 3 417.579 1.364 20 0 HDADHN CNS(=O)(=O)C1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000731940959 1075572267 /nfs/dbraw/zinc/57/22/67/1075572267.db2.gz DLVCAMDCWILUQZ-UHFFFAOYSA-N 0 3 410.609 1.539 20 0 HDADHN CN(C(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000429267352 1075587442 /nfs/dbraw/zinc/58/74/42/1075587442.db2.gz XRCUCULWULCJLJ-MRXNPFEDSA-N 0 3 422.489 2.115 20 0 HDADHN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)[C@H]3CCN(C4CC4)C3)C2=O)cc1 ZINC000732035008 1075592215 /nfs/dbraw/zinc/59/22/15/1075592215.db2.gz JDLYHCWUIVMXFP-HRAATJIYSA-N 0 3 400.479 1.157 20 0 HDADHN CN1CCN(CCCNC(=O)CNC(=O)OCC(F)(F)F)[C@H](c2ccccc2)C1 ZINC000732056371 1075596078 /nfs/dbraw/zinc/59/60/78/1075596078.db2.gz COPPPXWYLOCLPV-INIZCTEOSA-N 0 3 416.444 1.770 20 0 HDADHN CNC(=O)c1cncc(/C=C/C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000732058166 1075597220 /nfs/dbraw/zinc/59/72/20/1075597220.db2.gz XMZQWPNCMPYCAR-CZQLGGELSA-N 0 3 421.545 1.949 20 0 HDADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)C1 ZINC000551045817 1075603605 /nfs/dbraw/zinc/60/36/05/1075603605.db2.gz YFYLPSAXYZKUJQ-CQSZACIVSA-N 0 3 415.460 1.867 20 0 HDADHN CNC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)c1OC ZINC000509423709 1075604428 /nfs/dbraw/zinc/60/44/28/1075604428.db2.gz XBEFPNRGJDKEFS-GFCCVEGCSA-N 0 3 403.932 1.671 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1ccc2c(cnn2C(F)F)c1)CN1CCN(C)CC1 ZINC000676618334 1075617979 /nfs/dbraw/zinc/61/79/79/1075617979.db2.gz SDLIPWDDLXGVMB-ZDUSSCGKSA-N 0 3 408.453 1.370 20 0 HDADHN CN(CCCN1CCN(C)CC1)C(=O)/C=C\c1ccc(I)o1 ZINC000732114093 1075628265 /nfs/dbraw/zinc/62/82/65/1075628265.db2.gz FUOHKRQXRFNELF-ALCCZGGFSA-N 0 3 417.291 1.993 20 0 HDADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000676702206 1075651648 /nfs/dbraw/zinc/65/16/48/1075651648.db2.gz QXJWSCQISSGSEY-HNNXBMFYSA-N 0 3 418.519 1.450 20 0 HDADHN CC(C)N1CCN([C@H]2CCN(Cc3nc(N)nc(Nc4ccc(F)cc4)n3)C2)CC1 ZINC000533445449 1075660182 /nfs/dbraw/zinc/66/01/82/1075660182.db2.gz KVXLUOPJHZAXQZ-SFHVURJKSA-N 0 3 414.533 1.937 20 0 HDADHN CN(C)C1(CNC(=O)C(=O)N2CCC[C@H](c3nccn3C)C2)Cc2ccccc2C1 ZINC000506429184 1075675629 /nfs/dbraw/zinc/67/56/29/1075675629.db2.gz MXBHFMGWVQDHHW-IBGZPJMESA-N 0 3 409.534 1.342 20 0 HDADHN COc1cccc([C@@H](O)CNC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000732240647 1075677225 /nfs/dbraw/zinc/67/72/25/1075677225.db2.gz HUALXRWINPAJAM-QFIPXVFZSA-N 0 3 412.534 1.975 20 0 HDADHN O=C(NCCCCN1C(=O)c2ccccc2C1=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000732246355 1075679407 /nfs/dbraw/zinc/67/94/07/1075679407.db2.gz RDTOAUQJBJWXQA-HZPDHXFCSA-N 0 3 400.479 1.225 20 0 HDADHN CNC(=O)c1ccc(CN2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)cc1 ZINC001084992790 1075697857 /nfs/dbraw/zinc/69/78/57/1075697857.db2.gz TWQPIXXFUBRUSQ-UBHOZABWSA-N 0 3 409.530 1.892 20 0 HDADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)Nc3nnc(C(C)(C)C)s3)CC2)C[C@@H](C)O1 ZINC000588734902 1075701418 /nfs/dbraw/zinc/70/14/18/1075701418.db2.gz SGHAKRNYIRFPHM-ZIAGYGMSSA-N 0 3 423.583 2.122 20 0 HDADHN CC(C)N1CCN(c2ccc(C(=O)O[C@H]3CCN(c4cnn(C)c4)C3=O)cc2)CC1 ZINC000732336468 1075708156 /nfs/dbraw/zinc/70/81/56/1075708156.db2.gz WJQMVSIQFDGQEJ-FQEVSTJZSA-N 0 3 411.506 1.913 20 0 HDADHN CCN1CCCN(C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000509256876 1075721392 /nfs/dbraw/zinc/72/13/92/1075721392.db2.gz LOCDVFMIKXJDPZ-HNNXBMFYSA-N 0 3 400.570 1.496 20 0 HDADHN O=C1CCCN1C[C@@H]1CCCCN1C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000732413215 1075738655 /nfs/dbraw/zinc/73/86/55/1075738655.db2.gz QVHKMYNAHVUMAW-ZWKOTPCHSA-N 0 3 400.479 1.341 20 0 HDADHN COc1cccc([C@@H](O)CNC(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)c1 ZINC000732485070 1075762353 /nfs/dbraw/zinc/76/23/53/1075762353.db2.gz ODICRXSJCVEXSR-SFHVURJKSA-N 0 3 401.463 1.554 20 0 HDADHN C[C@@H](CO)N1CCCN(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)CC1 ZINC000470606547 1075764331 /nfs/dbraw/zinc/76/43/31/1075764331.db2.gz NWDTZTZKLPYKMB-KRWDZBQOSA-N 0 3 404.511 1.608 20 0 HDADHN CN1CCN(CCCNC(=O)C(=O)Nc2cc3n(n2)CCCC3)[C@@H](c2ccccc2)C1 ZINC000497878285 1075791736 /nfs/dbraw/zinc/79/17/36/1075791736.db2.gz DZGRYWJMIKBPGJ-HXUWFJFHSA-N 0 3 424.549 1.653 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000509278816 1075810742 /nfs/dbraw/zinc/81/07/42/1075810742.db2.gz JTCNCSTYWKQWLU-INIZCTEOSA-N 0 3 403.527 1.902 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CC1 ZINC000732656802 1075818528 /nfs/dbraw/zinc/81/85/28/1075818528.db2.gz BOSZFXOMNKBNMW-GOSISDBHSA-N 0 3 408.449 1.470 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000732659532 1075819188 /nfs/dbraw/zinc/81/91/88/1075819188.db2.gz SCLCVLRQLIIMAI-QZTJIDSGSA-N 0 3 408.449 1.517 20 0 HDADHN Cc1c(C(=O)NCC[S@@](=O)C(C)(C)C)nnn1-c1cccc2c1CCN(C)C2 ZINC000732768410 1075849492 /nfs/dbraw/zinc/84/94/92/1075849492.db2.gz OEBODSKXLIFPGW-MUUNZHRXSA-N 0 3 403.552 1.841 20 0 HDADHN N[C@@H]1C[C@H]2CN(C(=O)c3cc4sc(Nc5ccccc5)nc4s3)CCN2C1=O ZINC000568783123 1075855576 /nfs/dbraw/zinc/85/55/76/1075855576.db2.gz NCDIJQJTZMZMQH-QWHCGFSZSA-N 0 3 413.528 2.485 20 0 HDADHN COC(=O)c1ccc(CS(=O)(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)cc1 ZINC000611167790 1075866265 /nfs/dbraw/zinc/86/62/65/1075866265.db2.gz ZKRASJNABWRONB-UHFFFAOYSA-N 0 3 423.579 1.793 20 0 HDADHN O=C(CCN1CCC[C@@H](N2CCCCC2=O)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000732813096 1075874568 /nfs/dbraw/zinc/87/45/68/1075874568.db2.gz UUMVONVIKLQHCD-MRXNPFEDSA-N 0 3 419.526 1.139 20 0 HDADHN C[C@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000732919760 1075914151 /nfs/dbraw/zinc/91/41/51/1075914151.db2.gz VYFWPWIAWOHDIC-HOTGVXAUSA-N 0 3 408.506 1.383 20 0 HDADHN CN1CCC(NC(=S)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CC1 ZINC000732930384 1075918874 /nfs/dbraw/zinc/91/88/74/1075918874.db2.gz NDFWJHDIAPHEEN-LJQANCHMSA-N 0 3 401.580 1.378 20 0 HDADHN CC[C@H](CNC(=O)N(CCO)CCN1CCOCC1)N1CCc2ccccc2C1 ZINC000489841310 1075934431 /nfs/dbraw/zinc/93/44/31/1075934431.db2.gz MKPOLBGRXIQOIC-OAQYLSRUSA-N 0 3 404.555 1.159 20 0 HDADHN Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@H]2C)ccc1N1C(=O)CCC1=O ZINC000733046331 1075952800 /nfs/dbraw/zinc/95/28/00/1075952800.db2.gz OZIPSQGBNRDBHN-CVEARBPZSA-N 0 3 414.506 1.966 20 0 HDADHN Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)ccc1N1C(=O)CCC1=O ZINC000733046332 1075952833 /nfs/dbraw/zinc/95/28/33/1075952833.db2.gz OZIPSQGBNRDBHN-HOTGVXAUSA-N 0 3 414.506 1.966 20 0 HDADHN Cc1cc(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)ccc1N1C(=O)CCC1=O ZINC000733045855 1075964386 /nfs/dbraw/zinc/96/43/86/1075964386.db2.gz CANYZHINAOBUOA-AWEZNQCLSA-N 0 3 400.479 1.435 20 0 HDADHN C[C@@H]1CN(Cc2cccc3c2CCOC3)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001080181835 1075985537 /nfs/dbraw/zinc/98/55/37/1075985537.db2.gz OABKEQFHZWVYPB-YEHDIQIFSA-N 0 3 400.519 1.747 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000733158940 1075990765 /nfs/dbraw/zinc/99/07/65/1075990765.db2.gz UMNVLSCDRWUCNN-HNNXBMFYSA-N 0 3 413.515 1.449 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)COc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC000733169556 1076000134 /nfs/dbraw/zinc/00/01/34/1076000134.db2.gz BPEXALYKIDVMPL-MRXNPFEDSA-N 0 3 401.507 1.870 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)CC1 ZINC000733170670 1076001087 /nfs/dbraw/zinc/00/10/87/1076001087.db2.gz PLNVOHYEINAOAK-DKRLNXSXSA-N 0 3 414.554 1.709 20 0 HDADHN C[C@@H]1CN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000733184810 1076011887 /nfs/dbraw/zinc/01/18/87/1076011887.db2.gz PHZWJLUFSFDWAJ-GASCZTMLSA-N 0 3 409.531 1.290 20 0 HDADHN Cc1cccc(N2CCN(CCCCNC(=S)NCC(=O)NC(C)C)CC2)c1 ZINC000727275544 1076091495 /nfs/dbraw/zinc/09/14/95/1076091495.db2.gz PXYSUSXDRYLAMJ-UHFFFAOYSA-N 0 3 405.612 1.886 20 0 HDADHN COC(=O)N[C@H](C(=O)OCC(=O)N1CCCN(Cc2ccccc2C)CC1)C(C)C ZINC000733555207 1076097250 /nfs/dbraw/zinc/09/72/50/1076097250.db2.gz KLDWZIBIERSXRM-FQEVSTJZSA-N 0 3 419.522 1.953 20 0 HDADHN O=C(NCCCN1CCc2ccccc2C1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727754942 1076229203 /nfs/dbraw/zinc/22/92/03/1076229203.db2.gz KQGSROYHHNYLOQ-LJQANCHMSA-N 0 3 400.504 1.281 20 0 HDADHN S=C(NC1CCOCC1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000727783579 1076234319 /nfs/dbraw/zinc/23/43/19/1076234319.db2.gz RMCVKJDIYDACBY-GOSISDBHSA-N 0 3 403.596 1.969 20 0 HDADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)Nc3cnn(C(C)(C)C)c3)CC2)C[C@@H](C)O1 ZINC000532598254 1076238473 /nfs/dbraw/zinc/23/84/73/1076238473.db2.gz HLOSWUKLSJQYRX-HZPDHXFCSA-N 0 3 405.543 1.924 20 0 HDADHN CN(C)Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)c(F)c1 ZINC001299306864 1076242049 /nfs/dbraw/zinc/24/20/49/1076242049.db2.gz SCGYDIODZJMZAA-UHFFFAOYSA-N 0 3 409.483 1.752 20 0 HDADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)CC1=O ZINC000733890169 1076251912 /nfs/dbraw/zinc/25/19/12/1076251912.db2.gz IUXNOAVBVHTOLA-DLBZAZTESA-N 0 3 410.559 1.502 20 0 HDADHN CCOC(=O)C1C(CN(CC)CC(C)(C)O)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000733896572 1076257186 /nfs/dbraw/zinc/25/71/86/1076257186.db2.gz JHXWMGBVLANILB-GOSISDBHSA-N 0 3 405.495 1.959 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000727853024 1076272345 /nfs/dbraw/zinc/27/23/45/1076272345.db2.gz FCJMUOQRTSWTFW-ZIAGYGMSSA-N 0 3 420.432 1.090 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000727860209 1076274669 /nfs/dbraw/zinc/27/46/69/1076274669.db2.gz XQFSBNHDLUAOFW-GOSISDBHSA-N 0 3 422.485 1.932 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000727860256 1076274746 /nfs/dbraw/zinc/27/47/46/1076274746.db2.gz ZPKFHRUJMPZVTL-CQSZACIVSA-N 0 3 424.548 1.139 20 0 HDADHN Cc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000733976466 1076280898 /nfs/dbraw/zinc/28/08/98/1076280898.db2.gz QEBHVTKJBCTHKM-QGZVFWFLSA-N 0 3 416.595 1.932 20 0 HDADHN COCCOC(=O)Nc1cccc(NC(=O)C(=O)N2CCCN(C(C)C)CC2)c1 ZINC000727951303 1076295775 /nfs/dbraw/zinc/29/57/75/1076295775.db2.gz HSGJTYDNMJBJJO-UHFFFAOYSA-N 0 3 406.483 1.763 20 0 HDADHN CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000728024013 1076309069 /nfs/dbraw/zinc/30/90/69/1076309069.db2.gz MHHXTIPWZSDYBX-CVDFKLHSSA-N 0 3 411.568 1.636 20 0 HDADHN C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCC[C@@H](C2OCCO2)C1 ZINC000728053055 1076321222 /nfs/dbraw/zinc/32/12/22/1076321222.db2.gz GKRIDEQAWHWFSK-WIYYLYMNSA-N 0 3 417.550 1.608 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN3CCC[C@@H](C4OCCO4)C3)cc2)CC1 ZINC000728055584 1076322477 /nfs/dbraw/zinc/32/24/77/1076322477.db2.gz VVUZSNGZKZFRGZ-GOSISDBHSA-N 0 3 402.539 1.852 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)Cn3c(=O)onc3-c3cccnc3)cc2)CC1 ZINC000728160732 1076350842 /nfs/dbraw/zinc/35/08/42/1076350842.db2.gz IALPLCZQXDSWIW-UHFFFAOYSA-N 0 3 408.462 1.679 20 0 HDADHN CC(C)[C@@H](C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)N(C)C ZINC000730279681 1076520791 /nfs/dbraw/zinc/52/07/91/1076520791.db2.gz QGQLTQWDQUNLOO-ROUUACIJSA-N 0 3 424.586 1.891 20 0 HDADHN CC(C)N(CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C[C@@H](C)O ZINC000730419147 1076574735 /nfs/dbraw/zinc/57/47/35/1076574735.db2.gz GFOOKIHSXLYURN-GIIHOQTISA-N 0 3 409.552 1.223 20 0 HDADHN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(CCN(C)C)Cc2ccccn2)c1 ZINC000730550991 1076599512 /nfs/dbraw/zinc/59/95/12/1076599512.db2.gz DJXBWZJPYGMICO-UHFFFAOYSA-N 0 3 410.927 1.847 20 0 HDADHN COCCN1CC[C@H](NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC000730790111 1076659424 /nfs/dbraw/zinc/65/94/24/1076659424.db2.gz WBEJNXXYFASCAZ-ZDUSSCGKSA-N 0 3 408.549 1.765 20 0 HDADHN NS(=O)(=O)c1cc(C(=O)N2CC[C@@H](N3CCCCC3)C2)ccc1Br ZINC000730843786 1076672001 /nfs/dbraw/zinc/67/20/01/1076672001.db2.gz MIRSEOFPZFWXIK-CYBMUJFWSA-N 0 3 416.341 1.797 20 0 HDADHN Cn1cc(CN[C@@H](CO)Cc2ccc(O)cc2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC001180835517 1126152811 /nfs/dbraw/zinc/15/28/11/1126152811.db2.gz JUTZUKXCYJDRSI-QGZVFWFLSA-N 0 3 420.469 1.615 20 0 HDADHN C(c1nc2sc3c(c2c(N2CC[C@H]4NCCO[C@@H]4C2)n1)CCC3)N1CCOCC1 ZINC001164391740 718824639 /nfs/dbraw/zinc/82/46/39/718824639.db2.gz WVAHAJMPLRKTEU-HZPDHXFCSA-N 0 3 415.563 1.579 20 0 HDADHN CC(C)N(C)Cc1nn(-c2nc(Cl)nc3c2S(=O)(=O)CC3)c2c1CCNC2 ZINC001164681760 719651110 /nfs/dbraw/zinc/65/11/10/719651110.db2.gz QTZXVSATFFRIOP-UHFFFAOYSA-N 0 3 410.931 1.131 20 0 HDADHN CCOC(=O)N1CCc2nnc(N3CCC4(CCCN4CC(=O)NC)CC3)cc2C1 ZINC001164690310 719741585 /nfs/dbraw/zinc/74/15/85/719741585.db2.gz ZHMSRBXHFODBAU-UHFFFAOYSA-N 0 3 416.526 1.172 20 0 HDADHN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(CN(C)C2CC2)cn1 ZINC001164705725 719871711 /nfs/dbraw/zinc/87/17/11/719871711.db2.gz OCWRWKKGYPETHG-DENIHFKCSA-N 0 3 402.539 1.909 20 0 HDADHN CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@@H](CCN2c2ccc(CN3CCCC3)cn2)O1 ZINC001164723136 720322959 /nfs/dbraw/zinc/32/29/59/720322959.db2.gz HAVATZFTYVDRBQ-XUVXKRRUSA-N 0 3 402.539 1.909 20 0 HDADHN CN(C)Cc1ccnc(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)c1 ZINC001164832733 720476476 /nfs/dbraw/zinc/47/64/76/720476476.db2.gz WMJFNEQIACTLHX-LJQANCHMSA-N 0 3 414.554 1.329 20 0 HDADHN COC(=O)c1ccc2c(c1)ncnc2N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745731 720634827 /nfs/dbraw/zinc/63/48/27/720634827.db2.gz WEJGLENKKSYFLZ-JKSUJKDBSA-N 0 3 406.446 1.548 20 0 HDADHN COC(=O)c1ccc2c(c1)ncnc2N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745729 720636671 /nfs/dbraw/zinc/63/66/71/720636671.db2.gz WEJGLENKKSYFLZ-HOTGVXAUSA-N 0 3 406.446 1.548 20 0 HDADHN CCOC(=O)c1c[nH]c2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164740792 720651270 /nfs/dbraw/zinc/65/12/70/720651270.db2.gz JAIRURCOLNXXQO-KBPBESRZSA-N 0 3 409.450 1.267 20 0 HDADHN COC(=O)c1cc2c(OC)[nH]c(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)cc-2n1 ZINC001164742662 720689501 /nfs/dbraw/zinc/68/95/01/720689501.db2.gz WGUCZAYGHJJQKY-UONOGXRCSA-N 0 3 424.461 1.490 20 0 HDADHN CCOC(=O)c1cc2cccnc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737618 720693839 /nfs/dbraw/zinc/69/38/39/720693839.db2.gz GPNVMDFIYNWUFZ-DLBZAZTESA-N 0 3 420.473 1.938 20 0 HDADHN CCc1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCOCC2)n1 ZINC001164746946 720730103 /nfs/dbraw/zinc/73/01/03/720730103.db2.gz ZBVJRKZNRDLTLB-ZWKOTPCHSA-N 0 3 411.510 1.008 20 0 HDADHN Clc1nc2c(Cl)ncnc2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164748288 720793819 /nfs/dbraw/zinc/79/38/19/720793819.db2.gz QILRXBCKISJRQI-QWRGUYRKSA-N 0 3 419.276 1.859 20 0 HDADHN COc1cc(OC)c2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164744927 720804514 /nfs/dbraw/zinc/80/45/14/720804514.db2.gz JTDIOPFQIUBEPC-GOEBONIOSA-N 0 3 408.462 1.779 20 0 HDADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(c1cc(CN(C)C)ccn1)C2 ZINC001164864014 721036763 /nfs/dbraw/zinc/03/67/63/721036763.db2.gz WGNDQVUUKNBRTQ-QFIPXVFZSA-N 0 3 408.506 1.382 20 0 HDADHN c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(CN5CCOCC5)cn4)CCN3C2)c1 ZINC001164867979 721052246 /nfs/dbraw/zinc/05/22/46/721052246.db2.gz LPJWOBLYAXYPKB-FGZHOGPDSA-N 0 3 409.534 1.789 20 0 HDADHN COC(OC)c1c(CO)ccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865932 721121666 /nfs/dbraw/zinc/12/16/66/721121666.db2.gz QAABBVWNWWAEEP-RBUKOAKNSA-N 0 3 414.506 1.740 20 0 HDADHN c1cncc(CO[C@@H]2C[C@H]3CN(c4cc(N5CCSCC5)ncn4)CCN3C2)c1 ZINC001164880985 721169541 /nfs/dbraw/zinc/16/95/41/721169541.db2.gz YOQQMWAOYIXYFW-RBUKOAKNSA-N 0 3 412.563 1.905 20 0 HDADHN CN1CCc2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2C1 ZINC001164872198 721183502 /nfs/dbraw/zinc/18/35/02/721183502.db2.gz GUPZWRIGDJMWFV-SJORKVTESA-N 0 3 414.941 1.993 20 0 HDADHN CCNC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867459 721196332 /nfs/dbraw/zinc/19/63/32/721196332.db2.gz GHKJTQPFWLYJMM-HOTGVXAUSA-N 0 3 416.913 1.754 20 0 HDADHN CNC(=O)[C@]12CN(c3ccc(CN(C)C4CC4)cn3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164871362 721207247 /nfs/dbraw/zinc/20/72/47/721207247.db2.gz YRGFRVJSWRKVNN-WMZHIEFXSA-N 0 3 421.549 1.687 20 0 HDADHN C[C@@H]1C(=O)Nc2cnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2N1C ZINC001164907131 721536483 /nfs/dbraw/zinc/53/64/83/721536483.db2.gz MFPLIPYHNLSPRD-UKPHBRMFSA-N 0 3 412.469 1.734 20 0 HDADHN CN(Cc1ccc(N2C[C@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]32)nc1)C1CC1 ZINC001165013408 721757599 /nfs/dbraw/zinc/75/75/99/721757599.db2.gz LNGGBBDVLQXKND-QKNQBKEWSA-N 0 3 410.522 1.576 20 0 HDADHN NC(=O)c1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164980831 722103299 /nfs/dbraw/zinc/10/32/99/722103299.db2.gz KOJJHSXZYBTEBN-RDJZCZTQSA-N 0 3 401.898 1.956 20 0 HDADHN CC1(C)C(=O)Nc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164979673 722136962 /nfs/dbraw/zinc/13/69/62/722136962.db2.gz LSOLBWBAHKUSFN-DLBZAZTESA-N 0 3 408.506 1.829 20 0 HDADHN Cc1nc(-n2cncn2)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979731 722151787 /nfs/dbraw/zinc/15/17/87/722151787.db2.gz LVDILHCNFYSZSY-RTBURBONSA-N 0 3 406.494 1.488 20 0 HDADHN Cc1nc(CN2CCO[C@H]3CCN(c4ncc5c(n4)CCNC5)CC[C@H]32)cs1 ZINC001164988450 722177617 /nfs/dbraw/zinc/17/76/17/722177617.db2.gz RIDYHXNRTXZHRF-MOPGFXCFSA-N 0 3 400.552 1.757 20 0 HDADHN Cc1nc(CN2CCO[C@H]3CCN(c4cc5c(nn4)CCNC5)CC[C@@H]32)cs1 ZINC001164986949 722184062 /nfs/dbraw/zinc/18/40/62/722184062.db2.gz GHUUOVRWNQASPB-OALUTQOASA-N 0 3 400.552 1.757 20 0 HDADHN CN(CC(=O)NC[C@@H]1CSCCN1Cc1ccccc1)c1ncnc2[nH]cnc21 ZINC000429059912 1073494681 /nfs/dbraw/zinc/49/46/81/1073494681.db2.gz KTJYNKCXTCLUMP-MRXNPFEDSA-N 0 3 411.535 1.523 20 0 HDADHN O=C(NCC1(c2ccc(F)cc2)CCOCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000671415543 1073566678 /nfs/dbraw/zinc/56/66/78/1073566678.db2.gz LZSYANNWTAWHGD-IBGZPJMESA-N 0 3 403.498 1.591 20 0 HDADHN Cc1cccc(N2CCN(CCC(=O)NCCCN3CCCS3(=O)=O)CC2)c1 ZINC000673656262 1073587679 /nfs/dbraw/zinc/58/76/79/1073587679.db2.gz JEIIMEMXDOTJBP-UHFFFAOYSA-N 0 3 408.568 1.049 20 0 HDADHN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 ZINC000673658227 1073605348 /nfs/dbraw/zinc/60/53/48/1073605348.db2.gz GXYXRTXBMVGPEY-ROUUACIJSA-N 0 3 401.555 1.708 20 0 HDADHN CN(C(=O)c1ccc(NC(=O)c2cccn3c(=O)[nH]nc23)cc1)[C@@H]1CCCN(C)C1 ZINC000509124181 1073613783 /nfs/dbraw/zinc/61/37/83/1073613783.db2.gz QODAKCCMTJGYAQ-MRXNPFEDSA-N 0 3 408.462 1.853 20 0 HDADHN COCCN(CCN(C)C)C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC000429116485 1073661544 /nfs/dbraw/zinc/66/15/44/1073661544.db2.gz NFYPQLRSXVAEIL-UHFFFAOYSA-N 0 3 406.527 1.980 20 0 HDADHN Cc1nc(S(=O)(=O)NCC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)cn1C ZINC000673751937 1073685813 /nfs/dbraw/zinc/68/58/13/1073685813.db2.gz UXCGCLLBSUICJA-MRXNPFEDSA-N 0 3 419.551 1.130 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000673757290 1073692418 /nfs/dbraw/zinc/69/24/18/1073692418.db2.gz JIMLZJUKRKUWGJ-IBGZPJMESA-N 0 3 424.545 1.763 20 0 HDADHN Cc1c(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)nnn1Cc1ccncc1 ZINC000509139456 1073707773 /nfs/dbraw/zinc/70/77/73/1073707773.db2.gz NUUGEUDMESVBSH-IRXDYDNUSA-N 0 3 412.538 1.991 20 0 HDADHN COc1ccc(CN2CCCN(C(=O)CN3CCN(C(C)(C)CO)CC3)CC2)cc1 ZINC000673896315 1073867264 /nfs/dbraw/zinc/86/72/64/1073867264.db2.gz UFPLCVRTORCWCC-UHFFFAOYSA-N 0 3 418.582 1.118 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)CC1 ZINC000766041460 1073871160 /nfs/dbraw/zinc/87/11/60/1073871160.db2.gz ALDFDMYSNDICTH-GOSISDBHSA-N 0 3 415.538 1.985 20 0 HDADHN CCOC(=O)C1CCN(S(=O)(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000030380555 1073928881 /nfs/dbraw/zinc/92/88/81/1073928881.db2.gz IIXCZRZCYYWEIN-UHFFFAOYSA-N 0 3 423.579 1.803 20 0 HDADHN CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)NCCN2CCCC(C)(C)C2)C1 ZINC001626267885 1073950925 /nfs/dbraw/zinc/95/09/25/1073950925.db2.gz SAIOUWHPGONDDU-UHFFFAOYSA-N 0 3 406.531 1.922 20 0 HDADHN CC(C)(C)N1CCCN(C(=O)C(=O)Nc2ccccc2CN2CCNC2=O)CC1 ZINC000543521273 1073985934 /nfs/dbraw/zinc/98/59/34/1073985934.db2.gz MWFKCRFKZXLEIG-UHFFFAOYSA-N 0 3 401.511 1.483 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)N1CCC[C@@H](C)C1 ZINC000543534460 1074033289 /nfs/dbraw/zinc/03/32/89/1074033289.db2.gz MWQWDWJLGMEHIA-HZPDHXFCSA-N 0 3 401.511 1.387 20 0 HDADHN CN1CCN(Cc2ccc(CNC(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)cc2)CC1 ZINC000429202550 1074076642 /nfs/dbraw/zinc/07/66/42/1074076642.db2.gz ZVYQUDHCQXJKSG-LJQANCHMSA-N 0 3 401.555 1.633 20 0 HDADHN C[C@H](NCC[S@@](=O)C(C)(C)C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000766054358 1074092879 /nfs/dbraw/zinc/09/28/79/1074092879.db2.gz USXMCNBPPWZRNE-ODCWNRFASA-N 0 3 402.582 1.905 20 0 HDADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000674040001 1074123667 /nfs/dbraw/zinc/12/36/67/1074123667.db2.gz HTCJAQRAQWCYCJ-RDTXWAMCSA-N 0 3 412.494 1.039 20 0 HDADHN NC(=O)C[C@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000466625976 1074146059 /nfs/dbraw/zinc/14/60/59/1074146059.db2.gz CVJCUVSXGFPJBK-FQEVSTJZSA-N 0 3 402.539 1.376 20 0 HDADHN Cc1ccc([C@@H](CNC(=O)CNS(=O)(=O)c2ccccc2N)N2CCCC2)cc1 ZINC000670467635 1074201447 /nfs/dbraw/zinc/20/14/47/1074201447.db2.gz KYGHSGYZGOQYIY-LJQANCHMSA-N 0 3 416.547 1.809 20 0 HDADHN O=C(NCc1ccccc1CN1CCC(O)CC1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000674183166 1074216638 /nfs/dbraw/zinc/21/66/38/1074216638.db2.gz YKVFHGJPXCBZGO-QFIPXVFZSA-N 0 3 416.566 1.650 20 0 HDADHN O=C(NCc1ccccc1CN1CCC(O)CC1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000674183165 1074216695 /nfs/dbraw/zinc/21/66/95/1074216695.db2.gz YKVFHGJPXCBZGO-JOCHJYFZSA-N 0 3 416.566 1.650 20 0 HDADHN C[C@@H](C(=O)Nc1cccc(C(=O)N2CCCN(C(=O)[C@H](C)N(C)C)CC2)c1)N(C)C ZINC000674287997 1074256620 /nfs/dbraw/zinc/25/66/20/1074256620.db2.gz KWXVLZLDUDZGDU-IRXDYDNUSA-N 0 3 417.554 1.200 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000674309991 1074267439 /nfs/dbraw/zinc/26/74/39/1074267439.db2.gz OKJSYRIPGSEHPR-KRWDZBQOSA-N 0 3 403.479 1.247 20 0 HDADHN COC1CCN(CCNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000674309678 1074267874 /nfs/dbraw/zinc/26/78/74/1074267874.db2.gz HXYIRKWBKOEUSF-LJQANCHMSA-N 0 3 409.552 1.457 20 0 HDADHN COC1CCN(CCNC(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 ZINC000674310919 1074268546 /nfs/dbraw/zinc/26/85/46/1074268546.db2.gz UUSVMUGFEPWVGB-WIYYLYMNSA-N 0 3 421.538 1.943 20 0 HDADHN COC1CCN(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC1 ZINC000674310693 1074268570 /nfs/dbraw/zinc/26/85/70/1074268570.db2.gz MLONPDYQORWJGK-MRXNPFEDSA-N 0 3 415.581 1.437 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1 ZINC000674310355 1074268946 /nfs/dbraw/zinc/26/89/46/1074268946.db2.gz BLDBQBFJCVEBFN-IBGZPJMESA-N 0 3 411.568 1.525 20 0 HDADHN COC1CCN(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1 ZINC000674323928 1074273387 /nfs/dbraw/zinc/27/33/87/1074273387.db2.gz HPNUKTCTMHZYNE-SFHVURJKSA-N 0 3 423.579 1.623 20 0 HDADHN COC1CCN(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000674323324 1074273788 /nfs/dbraw/zinc/27/37/88/1074273788.db2.gz BALLUCSRBQLPQE-ZDUSSCGKSA-N 0 3 403.932 1.234 20 0 HDADHN COc1ccc([C@H]2[C@@H](C(=O)NCCN3CCC(OC)CC3)CCC(=O)N2C)cc1 ZINC000674325293 1074275849 /nfs/dbraw/zinc/27/58/49/1074275849.db2.gz LDOJXHQDABFSCA-FPOVZHCZSA-N 0 3 403.523 1.832 20 0 HDADHN CC[C@@H](NC(=O)NCCN1CCC(OC)CC1)c1ccccc1OCC(=O)NC ZINC000674329055 1074278143 /nfs/dbraw/zinc/27/81/43/1074278143.db2.gz WSBOEUSKZQZHMW-GOSISDBHSA-N 0 3 406.527 1.673 20 0 HDADHN COC1CCN(CCNC(=O)NC2CCN(C(=O)c3ccccc3F)CC2)CC1 ZINC000674328510 1074278538 /nfs/dbraw/zinc/27/85/38/1074278538.db2.gz LIGOYXBGWATQKQ-UHFFFAOYSA-N 0 3 406.502 1.840 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccc(Cl)c(C(=O)NC)c2)CC1 ZINC000509226557 1074368898 /nfs/dbraw/zinc/36/88/98/1074368898.db2.gz OBEZNTOWOBMDGA-UHFFFAOYSA-N 0 3 409.918 1.718 20 0 HDADHN CCN1C(=O)[C@H]2CN(CCC(=O)Nc3ccccc3Br)CCN2C1=O ZINC000674501965 1074397369 /nfs/dbraw/zinc/39/73/69/1074397369.db2.gz PYLRNHBGRKSZOU-CQSZACIVSA-N 0 3 409.284 1.746 20 0 HDADHN CN(CCN1CCCS1(=O)=O)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000674504544 1074402243 /nfs/dbraw/zinc/40/22/43/1074402243.db2.gz HBZPUMJIQJFQOP-UHFFFAOYSA-N 0 3 408.568 1.083 20 0 HDADHN CN(C)[C@@H](CNC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)Cc1ccccc1 ZINC000674609864 1074478900 /nfs/dbraw/zinc/47/89/00/1074478900.db2.gz ZWBIHTMGUUOKDD-FVJLSDCUSA-N 0 3 401.511 1.179 20 0 HDADHN CCn1nc2c(cc1=O)CN(C(=O)NCc1ccc(CN3CCN(C)CC3)cc1)CC2 ZINC000674612622 1074484239 /nfs/dbraw/zinc/48/42/39/1074484239.db2.gz DPPQTUAIBAFGEK-UHFFFAOYSA-N 0 3 424.549 1.279 20 0 HDADHN CCc1ccc([C@H](CNC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)N(C)C)cc1 ZINC000674615010 1074485300 /nfs/dbraw/zinc/48/53/00/1074485300.db2.gz DAWTZWFRGJKMRC-KGVIQGDOSA-N 0 3 415.538 1.871 20 0 HDADHN CN(C)CCN(CC1CCCCC1)C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000674644634 1074502922 /nfs/dbraw/zinc/50/29/22/1074502922.db2.gz XIDVLTIBDZHKGF-UTKZUKDTSA-N 0 3 407.559 1.860 20 0 HDADHN O=C(CN1CCCC1)N1CCN(C(=O)NCc2c(F)c(F)cc(F)c2F)CC1 ZINC000674646000 1074503972 /nfs/dbraw/zinc/50/39/72/1074503972.db2.gz VJAZDMYNUBTJDM-UHFFFAOYSA-N 0 3 402.392 1.693 20 0 HDADHN C[C@H]1CN(CCCCNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000674733011 1074540204 /nfs/dbraw/zinc/54/02/04/1074540204.db2.gz RTPPRIQQADZZDH-IRXDYDNUSA-N 0 3 411.568 1.398 20 0 HDADHN C[C@@H]1CN(CCCCNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000674732829 1074543216 /nfs/dbraw/zinc/54/32/16/1074543216.db2.gz RTPPRIQQADZZDH-CALCHBBNSA-N 0 3 411.568 1.398 20 0 HDADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCO[C@@H]([C@@H]3CCCO3)C2)CC1 ZINC000674914094 1074613176 /nfs/dbraw/zinc/61/31/76/1074613176.db2.gz XUWAZRMFWJGJLW-FCHUYYIVSA-N 0 3 401.551 1.909 20 0 HDADHN CN1CCN(CCCNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)[C@H](c2ccccc2)C1 ZINC000674916356 1074613606 /nfs/dbraw/zinc/61/36/06/1074613606.db2.gz BWRQYYDVNPGMMO-BDTNDASRSA-N 0 3 416.566 1.955 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)N1CCCC1 ZINC000142546099 1074697125 /nfs/dbraw/zinc/69/71/25/1074697125.db2.gz SAGXCDSIVXNLDK-QGZVFWFLSA-N 0 3 400.523 1.781 20 0 HDADHN C[C@H]1C[C@@H](NC(=O)NCc2cc(S(N)(=O)=O)ccc2F)CN1Cc1ccccc1 ZINC000675102628 1074718684 /nfs/dbraw/zinc/71/86/84/1074718684.db2.gz KILNMTZCXQUCGP-WMLDXEAASA-N 0 3 420.510 1.935 20 0 HDADHN O=C([C@@H]1CN2CCN1CCC2)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000766092601 1074734452 /nfs/dbraw/zinc/73/44/52/1074734452.db2.gz BPZXORANZSXTJJ-NSHDSACASA-N 0 3 404.383 1.421 20 0 HDADHN Cc1c(C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)nnn1-c1cccc2c1CCN(C)C2 ZINC000675188289 1074752165 /nfs/dbraw/zinc/75/21/65/1074752165.db2.gz JJKLZSFFYMNHMF-PKOBYXMFSA-N 0 3 408.506 1.447 20 0 HDADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675295056 1074789548 /nfs/dbraw/zinc/78/95/48/1074789548.db2.gz JAQGBKHHPYDBSM-BBRMVZONSA-N 0 3 408.449 1.177 20 0 HDADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675295059 1074789756 /nfs/dbraw/zinc/78/97/56/1074789756.db2.gz JAQGBKHHPYDBSM-XJKSGUPXSA-N 0 3 408.449 1.177 20 0 HDADHN CCCn1ccnc1CCCN(C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000429249636 1075118387 /nfs/dbraw/zinc/11/83/87/1075118387.db2.gz SQIFOQHJGPENAF-OAHLLOKOSA-N 0 3 407.540 1.832 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)c2ccc(OCC(N)=O)cc2)CC1 ZINC000041667565 1075121056 /nfs/dbraw/zinc/12/10/56/1075121056.db2.gz GMZWQLXGSFGVKR-UHFFFAOYSA-N 0 3 410.518 1.618 20 0 HDADHN C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000675410757 1075132594 /nfs/dbraw/zinc/13/25/94/1075132594.db2.gz LREXWLUYDDDSQY-KGLIPLIRSA-N 0 3 404.467 1.026 20 0 HDADHN O=C(CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000509334486 1075136640 /nfs/dbraw/zinc/13/66/40/1075136640.db2.gz LJYDXFQKDKJHKS-IBGZPJMESA-N 0 3 413.440 1.806 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000509246304 1075149262 /nfs/dbraw/zinc/14/92/62/1075149262.db2.gz JHJSRAZCQCGLDD-UHFFFAOYSA-N 0 3 410.540 1.498 20 0 HDADHN O=C(Cn1nnc(-c2ccccc2)n1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429346065 1075152616 /nfs/dbraw/zinc/15/26/16/1075152616.db2.gz PDTQPPKGFKBSJL-HXUWFJFHSA-N 0 3 406.490 1.747 20 0 HDADHN O=C(NCCn1c(=O)[nH]c2ccccc21)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000429348401 1075160053 /nfs/dbraw/zinc/16/00/53/1075160053.db2.gz JSSMICQWHFHXCV-OALUTQOASA-N 0 3 423.517 1.924 20 0 HDADHN O=C(Nc1ccn(-c2ccncc2)n1)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC000572653778 1075165778 /nfs/dbraw/zinc/16/57/78/1075165778.db2.gz LYXKZIOREFDGEN-SFHVURJKSA-N 0 3 407.478 2.237 20 0 HDADHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)c2ccccc2O1 ZINC000675471480 1075167692 /nfs/dbraw/zinc/16/76/92/1075167692.db2.gz HXBKJICSRAADKA-HNNXBMFYSA-N 0 3 400.464 1.180 20 0 HDADHN Cc1oc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1S(=O)(=O)N(C)C ZINC000675490845 1075175586 /nfs/dbraw/zinc/17/55/86/1075175586.db2.gz WDJMHVUDQWKUCA-CQSZACIVSA-N 0 3 407.492 1.808 20 0 HDADHN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)c1 ZINC000675512056 1075190583 /nfs/dbraw/zinc/19/05/83/1075190583.db2.gz FOUGELFWKUOHBQ-AWEZNQCLSA-N 0 3 406.508 1.671 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)c2ccccc2O1 ZINC000675512048 1075190591 /nfs/dbraw/zinc/19/05/91/1075190591.db2.gz FIKMJWOZNVHQLK-OAHLLOKOSA-N 0 3 421.457 1.801 20 0 HDADHN CNS(=O)(=O)c1cc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)ccc1OC ZINC000675512039 1075190706 /nfs/dbraw/zinc/19/07/06/1075190706.db2.gz DVGDXKMZEIUABL-HNNXBMFYSA-N 0 3 419.503 1.573 20 0 HDADHN CC(C)=CCCNC(=O)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000675531274 1075192195 /nfs/dbraw/zinc/19/21/95/1075192195.db2.gz SOJOHRNOPLTMEJ-FQEVSTJZSA-N 0 3 413.566 1.915 20 0 HDADHN O=C(CNC(=O)c1cccc(Br)c1)NC1CCN([C@H]2CCOC2)CC1 ZINC000675538394 1075194921 /nfs/dbraw/zinc/19/49/21/1075194921.db2.gz XGFFJJGGMIBMBF-INIZCTEOSA-N 0 3 410.312 1.548 20 0 HDADHN COc1ccc(C)cc1N1C[C@H](C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1=O ZINC000675537748 1075195205 /nfs/dbraw/zinc/19/52/05/1075195205.db2.gz JTMRWEVCWWOWFF-SJLPKXTDSA-N 0 3 401.507 1.726 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000675539134 1075195665 /nfs/dbraw/zinc/19/56/65/1075195665.db2.gz WXDKTKBLUQHAMX-CVEARBPZSA-N 0 3 413.565 1.271 20 0 HDADHN O=C(CNC(=O)c1ccc(Br)s1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000675538548 1075196258 /nfs/dbraw/zinc/19/62/58/1075196258.db2.gz LESFYNZYGQNFEH-GFCCVEGCSA-N 0 3 416.341 1.610 20 0 HDADHN COc1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1S(=O)(=O)NC1CC1 ZINC000675538731 1075196265 /nfs/dbraw/zinc/19/62/65/1075196265.db2.gz NGWDMVYMOMNXAM-QGZVFWFLSA-N 0 3 423.535 1.119 20 0 HDADHN O=C(CNC(=O)c1ccc(Br)s1)NC1CCN([C@H]2CCOC2)CC1 ZINC000675538549 1075196306 /nfs/dbraw/zinc/19/63/06/1075196306.db2.gz LESFYNZYGQNFEH-LBPRGKRZSA-N 0 3 416.341 1.610 20 0 HDADHN CN(C(=O)NCC1CCN(S(C)(=O)=O)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000675575328 1075209395 /nfs/dbraw/zinc/20/93/95/1075209395.db2.gz OKBXFJZBJKMMSR-IBGZPJMESA-N 0 3 408.568 1.574 20 0 HDADHN CN(C(=O)NCC1CCN(S(C)(=O)=O)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000675575331 1075209683 /nfs/dbraw/zinc/20/96/83/1075209683.db2.gz OKBXFJZBJKMMSR-LJQANCHMSA-N 0 3 408.568 1.574 20 0 HDADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675582082 1075212528 /nfs/dbraw/zinc/21/25/28/1075212528.db2.gz SMDPWMVEEZGVKC-OFNKIYASSA-N 0 3 414.550 1.714 20 0 HDADHN CN(C(=O)COc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000675606910 1075223817 /nfs/dbraw/zinc/22/38/17/1075223817.db2.gz BCKIMYOMYRTXDM-QGZVFWFLSA-N 0 3 403.504 1.446 20 0 HDADHN CN(CCN1CCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)CC1)Cc1ccccc1 ZINC000675592207 1075229626 /nfs/dbraw/zinc/22/96/26/1075229626.db2.gz DRYNIYOPHMRILD-UHFFFAOYSA-N 0 3 424.549 1.508 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)Nc3cc(C4CC4)n(C)n3)cc2)CC1 ZINC000581362925 1075232509 /nfs/dbraw/zinc/23/25/09/1075232509.db2.gz RPASNUWXICXFKZ-UHFFFAOYSA-N 0 3 424.549 1.690 20 0 HDADHN CN(C(=O)COCC(=O)NCc1cccnc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470674065 1075257662 /nfs/dbraw/zinc/25/76/62/1075257662.db2.gz SIIJEDYFHCBSRH-NRFANRHFSA-N 0 3 410.518 1.837 20 0 HDADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)CCCN3C(=O)CCC3=O)CC2)cc1 ZINC001129049561 1075261652 /nfs/dbraw/zinc/26/16/52/1075261652.db2.gz KJIRKCFFBSNQHI-UHFFFAOYSA-N 0 3 414.506 1.655 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCCOc2ccc3c(c2)OCO3)CC1 ZINC000675777603 1075269697 /nfs/dbraw/zinc/26/96/97/1075269697.db2.gz ZNQBNXBKYKZVSE-QGZVFWFLSA-N 0 3 403.479 1.515 20 0 HDADHN COCCN1CCC[C@@H](NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000675786722 1075271524 /nfs/dbraw/zinc/27/15/24/1075271524.db2.gz ZSFZWDZAQSYGMP-LJQANCHMSA-N 0 3 402.539 1.342 20 0 HDADHN COc1cc(OC)c([C@H](C)NCCN2CCN(S(C)(=O)=O)CC2)cc1Cl ZINC000675819030 1075277245 /nfs/dbraw/zinc/27/72/45/1075277245.db2.gz JYQWKJDSPJXHTH-ZDUSSCGKSA-N 0 3 405.948 1.585 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000675826656 1075279056 /nfs/dbraw/zinc/27/90/56/1075279056.db2.gz PLNRNUONQRNORJ-ZWKOTPCHSA-N 0 3 407.559 1.162 20 0 HDADHN Cc1nn(C)c2nc(C)c(CC(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)c(C)c12 ZINC000675917951 1075291755 /nfs/dbraw/zinc/29/17/55/1075291755.db2.gz JZIAAJFKJPQEBO-SFHVURJKSA-N 0 3 412.538 1.201 20 0 HDADHN CCOC(=O)c1cn(C)nc1NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000544254723 1075317473 /nfs/dbraw/zinc/31/74/73/1075317473.db2.gz RCIBJKMPASMJAT-GJZGRUSLSA-N 0 3 407.515 1.950 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000675981324 1075318875 /nfs/dbraw/zinc/31/88/75/1075318875.db2.gz KQMPUINXOYLSSZ-VQIMIIECSA-N 0 3 421.492 1.492 20 0 HDADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000676020104 1075325788 /nfs/dbraw/zinc/32/57/88/1075325788.db2.gz HQXYPYZXWWZXPI-NFBKMPQASA-N 0 3 414.550 1.856 20 0 HDADHN Cc1ccccc1[C@@H](CN1CCOCC1)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000676075690 1075343452 /nfs/dbraw/zinc/34/34/52/1075343452.db2.gz JYKFUTFJMQSKFB-TZIWHRDSSA-N 0 3 424.611 1.619 20 0 HDADHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)C1 ZINC000731466903 1075357644 /nfs/dbraw/zinc/35/76/44/1075357644.db2.gz DPQNERLVBBAQOT-IBGZPJMESA-N 0 3 401.532 1.911 20 0 HDADHN COc1ccc(-c2nnc(CNC(=O)C(=O)Nc3cnn(-c4ccncc4)c3)[nH]2)cc1 ZINC000676096291 1075359644 /nfs/dbraw/zinc/35/96/44/1075359644.db2.gz VTROVLAMTZQSKH-UHFFFAOYSA-N 0 3 418.417 1.316 20 0 HDADHN COc1ccc(-c2n[nH]c(CNC(=O)C(=O)Nc3cnn(-c4ccncc4)c3)n2)cc1 ZINC000676096291 1075359650 /nfs/dbraw/zinc/35/96/50/1075359650.db2.gz VTROVLAMTZQSKH-UHFFFAOYSA-N 0 3 418.417 1.316 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1)N1CCc2ccccc2C1 ZINC000676088520 1075371453 /nfs/dbraw/zinc/37/14/53/1075371453.db2.gz BAZREVBQWKBNJL-MRXNPFEDSA-N 0 3 404.474 1.769 20 0 HDADHN CC(C)(C)OC(=O)NC[C@@H]1CCN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000731530692 1075376889 /nfs/dbraw/zinc/37/68/89/1075376889.db2.gz IFKYRACDRHFWTJ-RDJZCZTQSA-N 0 3 418.494 1.711 20 0 HDADHN COCCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(-n3cnnn3)cc2)cc1 ZINC000429407846 1075440148 /nfs/dbraw/zinc/44/01/48/1075440148.db2.gz KOZDJAUABLOYOJ-HNNXBMFYSA-N 0 3 401.492 1.933 20 0 HDADHN COCCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(-n3cnnn3)cc2)cc1 ZINC000429407848 1075440652 /nfs/dbraw/zinc/44/06/52/1075440652.db2.gz KOZDJAUABLOYOJ-OAHLLOKOSA-N 0 3 401.492 1.933 20 0 HDADHN CCNS(=O)(=O)CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000731642896 1075444554 /nfs/dbraw/zinc/44/45/54/1075444554.db2.gz KXXVDBPJWOYTLV-INIZCTEOSA-N 0 3 407.458 1.497 20 0 HDADHN Cc1ccc([C@@H](CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)N(C)C)cc1 ZINC000731683490 1075465528 /nfs/dbraw/zinc/46/55/28/1075465528.db2.gz BCXPSXINQHXZAT-LJQANCHMSA-N 0 3 410.584 1.406 20 0 HDADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1nn(-c2ncccc2F)cc1C ZINC000446772002 1075468773 /nfs/dbraw/zinc/46/87/73/1075468773.db2.gz AZMXXKCHYUVKFB-OAHLLOKOSA-N 0 3 402.474 2.034 20 0 HDADHN O=C(NCc1nc(-c2cccc(F)c2)no1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000676252435 1075470650 /nfs/dbraw/zinc/47/06/50/1075470650.db2.gz IEQWPQFTJYRAHI-UHFFFAOYSA-N 0 3 415.469 1.969 20 0 HDADHN CCN1CCN(c2ccc(C(=O)NC3CCN([C@@H]4CCOC4)CC3)cc2F)CC1 ZINC000676343550 1075517434 /nfs/dbraw/zinc/51/74/34/1075517434.db2.gz UAOQGWRBSZZCLA-LJQANCHMSA-N 0 3 404.530 1.951 20 0 HDADHN O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NC1CCN([C@H]2CCOC2)CC1 ZINC000676345206 1075517459 /nfs/dbraw/zinc/51/74/59/1075517459.db2.gz MKJUFQPSIDFXTJ-IBGZPJMESA-N 0 3 421.563 1.429 20 0 HDADHN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676344404 1075518604 /nfs/dbraw/zinc/51/86/04/1075518604.db2.gz CIQMSRINERKGCR-GOSISDBHSA-N 0 3 407.536 1.518 20 0 HDADHN Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NC2CCN([C@H]3CCOC3)CC2)CCCC1 ZINC000676391976 1075540873 /nfs/dbraw/zinc/54/08/73/1075540873.db2.gz BQLYYTNSROPGHW-SFHVURJKSA-N 0 3 417.554 1.449 20 0 HDADHN CC[C@H](C)Oc1cc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1OC ZINC000676417388 1075548736 /nfs/dbraw/zinc/54/87/36/1075548736.db2.gz BTUIHJACYTXDCG-HKUYNNGSSA-N 0 3 405.539 1.895 20 0 HDADHN C[C@@H](CC(=O)N1CCC[C@H]1C[NH+]1CCCC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000731897732 1075561413 /nfs/dbraw/zinc/56/14/13/1075561413.db2.gz ZMVXJODVLLOVOP-GJZGRUSLSA-N 0 3 414.959 1.879 20 0 HDADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000575436215 1075570622 /nfs/dbraw/zinc/57/06/22/1075570622.db2.gz MSZQHHPOEFGTIX-AWEZNQCLSA-N 0 3 415.460 2.009 20 0 HDADHN CNC(=O)c1cncc(/C=C\C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000732058168 1075597276 /nfs/dbraw/zinc/59/72/76/1075597276.db2.gz XMZQWPNCMPYCAR-DYYZXQNHSA-N 0 3 421.545 1.949 20 0 HDADHN COC1(CNC(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCOCC1 ZINC000676623468 1075621449 /nfs/dbraw/zinc/62/14/49/1075621449.db2.gz ZLCGCGWXBWHCIG-UHFFFAOYSA-N 0 3 421.563 1.528 20 0 HDADHN CCN1CCN(c2ccc(CNc3nc(N)c4cc(OC)c(OC)cc4n3)cn2)CC1 ZINC000599510341 1075628074 /nfs/dbraw/zinc/62/80/74/1075628074.db2.gz NQTBCUDXHRGUOD-UHFFFAOYSA-N 0 3 423.521 1.800 20 0 HDADHN C[C@]1(CC(=O)NCCNC(c2ccccc2)c2ccccc2)CCS(=O)(=O)N1 ZINC001649127266 1075637682 /nfs/dbraw/zinc/63/76/82/1075637682.db2.gz LMQAQVRBOZGLOB-OAQYLSRUSA-N 0 3 401.532 1.954 20 0 HDADHN CN(CN1C(=O)NC2(CCN(C)CC2)C1=O)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000732183993 1075662987 /nfs/dbraw/zinc/66/29/87/1075662987.db2.gz CTJQOJOXWDHJOZ-INIZCTEOSA-N 0 3 419.913 1.351 20 0 HDADHN CN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)[C@H]1CCN(C2CC2)C1 ZINC000732214744 1075669888 /nfs/dbraw/zinc/66/98/88/1075669888.db2.gz VKJGAGJTZXBOMR-AVRDEDQJSA-N 0 3 413.522 1.129 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN(C3CC3)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000732203152 1075675680 /nfs/dbraw/zinc/67/56/80/1075675680.db2.gz NAHOICPMNXYEJX-HXUWFJFHSA-N 0 3 420.579 1.419 20 0 HDADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000463264337 1075699631 /nfs/dbraw/zinc/69/96/31/1075699631.db2.gz GCOXLHLWZYTFRK-ZBFHGGJFSA-N 0 3 401.540 1.472 20 0 HDADHN Cc1ccccc1Nc1nc(N)nc(CN2CC[C@H](N3CCN(C(C)C)CC3)C2)n1 ZINC000533308338 1075722049 /nfs/dbraw/zinc/72/20/49/1075722049.db2.gz AKFDARUPAXUWKI-SFHVURJKSA-N 0 3 410.570 1.528 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)N3CCC(S(=O)(=O)NC)CC3)cc2)CC1 ZINC000732418191 1075732941 /nfs/dbraw/zinc/73/29/41/1075732941.db2.gz RJSIGWQADHLCIE-UHFFFAOYSA-N 0 3 409.556 1.374 20 0 HDADHN CN(C)[C@@H](CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C)c1cccc(C(F)(F)F)c1 ZINC000469555931 1075749042 /nfs/dbraw/zinc/74/90/42/1075749042.db2.gz GEQKMLYCCVNFIE-LBPRGKRZSA-N 0 3 410.400 2.106 20 0 HDADHN C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000732459072 1075749715 /nfs/dbraw/zinc/74/97/15/1075749715.db2.gz NDASBRFCEGZKFV-HZPDHXFCSA-N 0 3 413.563 1.484 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NC2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000509262333 1075751100 /nfs/dbraw/zinc/75/11/00/1075751100.db2.gz GSFKRASWRAFQEF-UHFFFAOYSA-N 0 3 419.526 1.080 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000732463240 1075751195 /nfs/dbraw/zinc/75/11/95/1075751195.db2.gz LGFNFNFXLOSJIC-MJGOQNOKSA-N 0 3 404.511 1.919 20 0 HDADHN CS(=O)(=O)NCCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509445122 1075756724 /nfs/dbraw/zinc/75/67/24/1075756724.db2.gz AHFBXYNULQNRIS-INIZCTEOSA-N 0 3 407.458 1.497 20 0 HDADHN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475423866 1075758360 /nfs/dbraw/zinc/75/83/60/1075758360.db2.gz UXQKZCDCKWJYMK-SFHVURJKSA-N 0 3 407.522 1.989 20 0 HDADHN CCOC(=O)CC[C@@H]1CCCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000611036362 1075818141 /nfs/dbraw/zinc/81/81/41/1075818141.db2.gz PAFBEHXSQDXUQL-SFHVURJKSA-N 0 3 424.586 1.101 20 0 HDADHN CC(C)Oc1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)nn1 ZINC000551719348 1075857245 /nfs/dbraw/zinc/85/72/45/1075857245.db2.gz WZQKYPLKKRRTJM-UHFFFAOYSA-N 0 3 419.913 2.446 20 0 HDADHN COC(=O)c1ccc(S(=O)(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)s1 ZINC000611167728 1075865925 /nfs/dbraw/zinc/86/59/25/1075865925.db2.gz LEZUWTAYCLDQTO-UHFFFAOYSA-N 0 3 415.581 1.714 20 0 HDADHN COC(=O)c1cc(S(=O)(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)oc1C ZINC000611167742 1075865945 /nfs/dbraw/zinc/86/59/45/1075865945.db2.gz PQLZFJNRGWQLMF-UHFFFAOYSA-N 0 3 413.540 1.554 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(c2ncccc2I)CC1 ZINC000611242512 1075882242 /nfs/dbraw/zinc/88/22/42/1075882242.db2.gz KWAHIFWCWPJODL-ZDUSSCGKSA-N 0 3 400.264 1.605 20 0 HDADHN COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)ccc1Br ZINC000611380836 1075922140 /nfs/dbraw/zinc/92/21/40/1075922140.db2.gz GAVKROAUFGUKGQ-ZDUSSCGKSA-N 0 3 424.295 1.775 20 0 HDADHN C[C@@H](NC[C@H](O)c1cnn(C)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000766186567 1075925757 /nfs/dbraw/zinc/92/57/57/1075925757.db2.gz XMQZGEPBEQXNTI-KUHUBIRLSA-N 0 3 404.492 1.876 20 0 HDADHN COC(=O)c1csc(NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)c1C ZINC000611461304 1075936291 /nfs/dbraw/zinc/93/62/91/1075936291.db2.gz SKCCWGIDABCRSH-HNNXBMFYSA-N 0 3 422.551 1.409 20 0 HDADHN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CNC1(CO)CCCCC1 ZINC000611462986 1075936960 /nfs/dbraw/zinc/93/69/60/1075936960.db2.gz KHMXUNYEBFFPPI-UHFFFAOYSA-N 0 3 411.524 1.816 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)COC(=O)C3CCS(=O)(=O)CC3)cc2)CC1 ZINC000733023336 1075944244 /nfs/dbraw/zinc/94/42/44/1075944244.db2.gz XJOPBYUJTLBJCH-UHFFFAOYSA-N 0 3 423.535 1.135 20 0 HDADHN COC(=O)c1cc(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)on1 ZINC000611486208 1075947299 /nfs/dbraw/zinc/94/72/99/1075947299.db2.gz QECLRXOXXJAEAO-UHFFFAOYSA-N 0 3 400.479 1.789 20 0 HDADHN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)ccc1N1C(=O)CCC1=O ZINC000733046340 1075952711 /nfs/dbraw/zinc/95/27/11/1075952711.db2.gz PEDFUULSNCXSNP-GDBMZVCRSA-N 0 3 414.506 1.824 20 0 HDADHN CN(C)[C@@H](CNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)c1ccccc1 ZINC000733036388 1075960428 /nfs/dbraw/zinc/96/04/28/1075960428.db2.gz SNAUTAIACJNJMQ-INIZCTEOSA-N 0 3 418.510 1.853 20 0 HDADHN Cc1cc(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)ccc1N1C(=O)CCC1=O ZINC000733045814 1075964406 /nfs/dbraw/zinc/96/44/06/1075964406.db2.gz AQWZFUFAZQTUOG-OAHLLOKOSA-N 0 3 400.479 1.578 20 0 HDADHN Cc1nc(CN[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2cccc(F)c2)n[nH]1 ZINC001079192322 1075966917 /nfs/dbraw/zinc/96/69/17/1075966917.db2.gz ATNKGEBSRZTDMC-BHQCHZOVSA-N 0 3 411.481 1.760 20 0 HDADHN CCCCn1c2nc(CN3CCCN(Cc4ccccc4)CC3)n(C)c2c(=O)[nH]c1=O ZINC000105523851 1075974359 /nfs/dbraw/zinc/97/43/59/1075974359.db2.gz YYAZFULZLCALLD-UHFFFAOYSA-N 0 3 424.549 1.931 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000733143020 1075975302 /nfs/dbraw/zinc/97/53/02/1075975302.db2.gz BXTAEJRDDBQQCH-LDUBKBBESA-N 0 3 406.486 1.832 20 0 HDADHN CC(C)[C@H](C[NH+](C)C)NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000733166904 1075997949 /nfs/dbraw/zinc/99/79/49/1075997949.db2.gz SYKGHMDEXYHZQR-JTQLQIEISA-N 0 3 412.375 1.491 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)CC1 ZINC000733170016 1075999856 /nfs/dbraw/zinc/99/98/56/1075999856.db2.gz INCQNCSDGRCXEK-FPXKJXHESA-N 0 3 415.517 1.509 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000733170033 1076000678 /nfs/dbraw/zinc/00/06/78/1076000678.db2.gz IZIMIRSEVODOQQ-GJZGRUSLSA-N 0 3 408.465 1.540 20 0 HDADHN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H]3C[C@@H](C)N(C4CC4)C3)C2)no1 ZINC000514025274 1076016289 /nfs/dbraw/zinc/01/62/89/1076016289.db2.gz UYVFWTYSCBHPDV-UKPHBRMFSA-N 0 3 404.515 1.390 20 0 HDADHN CCOC(=O)N(C)C1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000727034648 1076029427 /nfs/dbraw/zinc/02/94/27/1076029427.db2.gz RBLCRDMTEFHPEX-KRWDZBQOSA-N 0 3 411.547 1.191 20 0 HDADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)COC[C@@H]2CCCO2)CC1 ZINC000733594623 1076121267 /nfs/dbraw/zinc/12/12/67/1076121267.db2.gz GISURWIQFILTBX-FQEVSTJZSA-N 0 3 404.507 1.768 20 0 HDADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N(CCCN1CCOCC1)Cc1ccncc1 ZINC000733648369 1076140168 /nfs/dbraw/zinc/14/01/68/1076140168.db2.gz IFEHMSWIEPFXJA-RTWAWAEBSA-N 0 3 417.554 1.179 20 0 HDADHN COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1 ZINC000733665478 1076145461 /nfs/dbraw/zinc/14/54/61/1076145461.db2.gz QBZUHKNZEFLTQN-OAHLLOKOSA-N 0 3 411.524 1.036 20 0 HDADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(N2C(=O)CCC2=O)c(C)c1 ZINC000733669943 1076151960 /nfs/dbraw/zinc/15/19/60/1076151960.db2.gz NJMXSPSBGUNDHJ-QGZVFWFLSA-N 0 3 414.506 1.968 20 0 HDADHN CCN(CC)S(=O)(=O)N1CCN(C(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000733873894 1076226445 /nfs/dbraw/zinc/22/64/45/1076226445.db2.gz GVEDJSWLWATGPP-UHFFFAOYSA-N 0 3 422.551 1.839 20 0 HDADHN O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727753122 1076226448 /nfs/dbraw/zinc/22/64/48/1076226448.db2.gz LOUBSABFURINDY-WMLDXEAASA-N 0 3 406.533 1.731 20 0 HDADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)Nc3cnn(C(C)(C)C)c3)CC2)C[C@H](C)O1 ZINC000532598255 1076238580 /nfs/dbraw/zinc/23/85/80/1076238580.db2.gz HLOSWUKLSJQYRX-IYBDPMFKSA-N 0 3 405.543 1.924 20 0 HDADHN CC(C)Cn1nccc1NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000533456625 1076243389 /nfs/dbraw/zinc/24/33/89/1076243389.db2.gz OGXDVNJUCFULCU-CALCHBBNSA-N 0 3 405.543 1.825 20 0 HDADHN CCNC(=O)c1cccc(NC(=O)CN[C@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC000733897023 1076258169 /nfs/dbraw/zinc/25/81/69/1076258169.db2.gz HUVGFMFLOZCIEF-XMMPIXPASA-N 0 3 424.545 1.992 20 0 HDADHN O=C(CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)NCc1ccccn1 ZINC000727829993 1076263586 /nfs/dbraw/zinc/26/35/86/1076263586.db2.gz QEJDAUKGAMLPJA-FQEVSTJZSA-N 0 3 408.550 1.627 20 0 HDADHN CC(C)N1CCCN(C(=O)C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)CC1 ZINC000727952520 1076296326 /nfs/dbraw/zinc/29/63/26/1076296326.db2.gz NPUJBKQURMGZMT-UHFFFAOYSA-N 0 3 400.479 1.611 20 0 HDADHN CCCOC(=O)c1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000728060062 1076314386 /nfs/dbraw/zinc/31/43/86/1076314386.db2.gz NPPBHYDGCVEXSA-MRXNPFEDSA-N 0 3 411.524 1.119 20 0 HDADHN O=C(CN1CCC[C@H](C2OCCO2)C1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000728052648 1076320028 /nfs/dbraw/zinc/32/00/28/1076320028.db2.gz ABZKGSPDQBVQOW-IBGZPJMESA-N 0 3 407.555 1.713 20 0 HDADHN C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCC[C@H](C2OCCO2)C1 ZINC000728053054 1076321345 /nfs/dbraw/zinc/32/13/45/1076321345.db2.gz GKRIDEQAWHWFSK-RXVVDRJESA-N 0 3 417.550 1.608 20 0 HDADHN CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC000730264019 1076504758 /nfs/dbraw/zinc/50/47/58/1076504758.db2.gz KMYCFQYNQHDEFU-HZPDHXFCSA-N 0 3 410.559 1.691 20 0 HDADHN CC(=O)N1CCN(C(=O)[C@H](C)N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC000730264017 1076504828 /nfs/dbraw/zinc/50/48/28/1076504828.db2.gz KMYCFQYNQHDEFU-CVEARBPZSA-N 0 3 410.559 1.691 20 0 HDADHN C[C@@H](NC(=O)OC(C)(C)C)C1CCN([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000730266562 1076507913 /nfs/dbraw/zinc/50/79/13/1076507913.db2.gz YJHFUKDBVPLEBX-CABCVRRESA-N 0 3 410.559 1.724 20 0 HDADHN CN(C)CCN(Cc1ccccn1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000730547742 1076598542 /nfs/dbraw/zinc/59/85/42/1076598542.db2.gz CDEYNHXRAYFYEV-JOCHJYFZSA-N 0 3 409.490 1.439 20 0 HDADHN CN(C)CCN(Cc1ccccn1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1F ZINC000730551450 1076599845 /nfs/dbraw/zinc/59/98/45/1076599845.db2.gz LLUWZCSOVIDBAE-UHFFFAOYSA-N 0 3 408.499 1.675 20 0 HDADHN CCN1C(=O)c2ccc(C(=O)NCC(C)(C)N3CCC(OC)CC3)cc2S1(=O)=O ZINC000730790029 1076659933 /nfs/dbraw/zinc/65/99/33/1076659933.db2.gz VEYADTRWRPZHNV-UHFFFAOYSA-N 0 3 423.535 1.470 20 0 HDADHN COCCN1CC[C@H](NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC000730841936 1076671108 /nfs/dbraw/zinc/67/11/08/1076671108.db2.gz SBFQZIXIRPLYRP-WMZHIEFXSA-N 0 3 424.501 1.444 20 0 HDADHN COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2cccc(N3CCOC3=O)c2)CC1 ZINC000730916269 1076690222 /nfs/dbraw/zinc/69/02/22/1076690222.db2.gz YWPDUIBDGRTVSB-UHFFFAOYSA-N 0 3 418.494 1.587 20 0 HDADHN Cc1cc(C(=O)NC2CCN(CCc3ccc(S(N)(=O)=O)cc3)CC2)c(C)o1 ZINC000730939241 1076698468 /nfs/dbraw/zinc/69/84/68/1076698468.db2.gz AYSZLWHBGRCDJT-UHFFFAOYSA-N 0 3 405.520 1.981 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)/C(=C/c1cccc(OC)c1)n1nnnc1C ZINC000731007187 1076709193 /nfs/dbraw/zinc/70/91/93/1076709193.db2.gz IQHOVVUHNKIEFO-MCRQTXEHSA-N 0 3 400.483 1.215 20 0 HDADHN Cc1cc(NC(=O)CON=C(N)CCN2CCN(Cc3ccccc3)CC2)no1 ZINC000731027865 1076713351 /nfs/dbraw/zinc/71/33/51/1076713351.db2.gz ATBPPGLMWSCZAD-UHFFFAOYSA-N 0 3 400.483 1.628 20 0 HDADHN CN1CCC(NC(=S)N2CCN(CCNC(=O)c3ccccc3F)CC2)CC1 ZINC000731160726 1076739565 /nfs/dbraw/zinc/73/95/65/1076739565.db2.gz VVQYHKFHZRVWIJ-UHFFFAOYSA-N 0 3 407.559 1.142 20 0 HDADHN Cn1cc(/C=C\C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)c(=O)n(C)c1=O ZINC000731198830 1076751544 /nfs/dbraw/zinc/75/15/44/1076751544.db2.gz IWNNJSQMIXECCS-HJWRWDBZSA-N 0 3 418.538 1.027 20 0 HDADHN O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1CC[C@@H]2NCCO[C@H]2C1 ZINC001164390075 718824179 /nfs/dbraw/zinc/82/41/79/718824179.db2.gz LSDYMAHGSXSPLU-RFUYNDQBSA-N 0 3 424.908 1.560 20 0 HDADHN COc1ccccc1-c1cc(C(F)(F)N2CCNC(=O)C23CNC3)c(Cl)nn1 ZINC001164413815 718879542 /nfs/dbraw/zinc/87/95/42/718879542.db2.gz NWFZEAIGHINCSD-UHFFFAOYSA-N 0 3 409.824 1.629 20 0 HDADHN CNC(=O)CN1CCCC12CCN(c1nc(-c3ccccc3)nc(N(C)C)n1)CC2 ZINC001164687321 719725313 /nfs/dbraw/zinc/72/53/13/719725313.db2.gz VZGKBQOLORSRRI-UHFFFAOYSA-N 0 3 409.538 1.785 20 0 HDADHN CNC(=O)CN1CCCC12CCN(c1ncccc1C(=O)Nc1cc(C)on1)CC2 ZINC001164689841 719739495 /nfs/dbraw/zinc/73/94/95/719739495.db2.gz LKGAELLOYCPZTM-UHFFFAOYSA-N 0 3 412.494 1.811 20 0 HDADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)CC2 ZINC001164690126 719756204 /nfs/dbraw/zinc/75/62/04/719756204.db2.gz UCNCYEWQGKTPJG-AWEZNQCLSA-N 0 3 409.918 1.479 20 0 HDADHN CN(Cc1ccc(N2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@H]3C2)nc1)C1CC1 ZINC001164701606 719884645 /nfs/dbraw/zinc/88/46/45/719884645.db2.gz NWDXAYNQCKYEKP-NEWSRXKRSA-N 0 3 408.506 1.803 20 0 HDADHN CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@@H](CCN2c2ncccc2CN2CCCC2)O1 ZINC001164721642 720324546 /nfs/dbraw/zinc/32/45/46/720324546.db2.gz CSLAIVLGPURRAU-SLFFLAALSA-N 0 3 402.539 1.909 20 0 HDADHN Cn1cnc2c1nc(N1CC[C@H]3[C@H]1CCN3Cc1cccnc1)nc2N1CCOCC1 ZINC001164727861 720361019 /nfs/dbraw/zinc/36/10/19/720361019.db2.gz UQXUYBMKNFKTFE-ZWKOTPCHSA-N 0 3 420.521 1.448 20 0 HDADHN CN(C)Cc1ccnc(N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)c1 ZINC001164832728 720476594 /nfs/dbraw/zinc/47/65/94/720476594.db2.gz WMJFNEQIACTLHX-IBGZPJMESA-N 0 3 414.554 1.329 20 0 HDADHN COc1cc2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2cc1OC ZINC001164743646 720644998 /nfs/dbraw/zinc/64/49/98/720644998.db2.gz PXEWSKUNXAWTQI-HUUCEWRRSA-N 0 3 408.462 1.779 20 0 HDADHN COC(=O)c1cc2ccncc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741083 720710284 /nfs/dbraw/zinc/71/02/84/720710284.db2.gz SPWDHOREMDGUPI-JKSUJKDBSA-N 0 3 406.446 1.548 20 0 HDADHN CS(=O)(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)N2CC2CC2)C1 ZINC001164740253 720820946 /nfs/dbraw/zinc/82/09/46/720820946.db2.gz JWOMVYIIBVPASN-KZNAEPCWSA-N 0 3 416.551 1.456 20 0 HDADHN O=C(NC[C@@H]1OC[C@@H]2CCN(c3ncccc3CN3CCCC3)C[C@@H]21)c1ccno1 ZINC001164854469 720915230 /nfs/dbraw/zinc/91/52/30/720915230.db2.gz FKWZYPAOSVBIQR-BJLQDIEVSA-N 0 3 411.506 1.937 20 0 HDADHN COC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164871419 721047631 /nfs/dbraw/zinc/04/76/31/721047631.db2.gz YQOMOAZKHASDKU-GJZGRUSLSA-N 0 3 403.870 1.791 20 0 HDADHN C[C@@H]1C(=O)Nc2cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2N1C ZINC001164866654 721093033 /nfs/dbraw/zinc/09/30/33/721093033.db2.gz UNZNLTGTSQQPNA-DJIMGWMZSA-N 0 3 409.494 1.128 20 0 HDADHN CNC(=O)c1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867828 721188286 /nfs/dbraw/zinc/18/82/86/721188286.db2.gz IIXLULNQAFGNMF-HUUCEWRRSA-N 0 3 402.886 1.364 20 0 HDADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(S(=O)(=O)NC5CC5)cn4)C[C@H]3C2)cn1 ZINC001164767551 721203646 /nfs/dbraw/zinc/20/36/46/721203646.db2.gz JZLULYFLXSZXRS-IAGOWNOFSA-N 0 3 416.551 1.214 20 0 HDADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5c4CN(C)CC5)C[C@H]3C2)cn1 ZINC001164767234 721237438 /nfs/dbraw/zinc/23/74/38/721237438.db2.gz WKKPCAHCSCDROS-JKSUJKDBSA-N 0 3 401.946 1.810 20 0 HDADHN CN(C)C(=O)CN1CCOCC2(CCN(c3nc4[nH]cnc4cc3Cl)CC2)C1 ZINC001164875923 721277908 /nfs/dbraw/zinc/27/79/08/721277908.db2.gz ZNBSSXSDDSQLKC-UHFFFAOYSA-N 0 3 406.918 1.618 20 0 HDADHN O=C(COC[C@]12COC[C@@H]1CN(c1ccc(CN3CCCC3)cn1)C2)N1CCCC1 ZINC001164882534 721337529 /nfs/dbraw/zinc/33/75/29/721337529.db2.gz FWDBIKCMTVESGP-REWPJTCUSA-N 0 3 414.550 1.769 20 0 HDADHN CC(C)c1nc(N(C)C)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164888300 721420701 /nfs/dbraw/zinc/42/07/01/721420701.db2.gz NYVVZDODTONKHZ-XMSQKQJNSA-N 0 3 417.602 1.826 20 0 HDADHN CN(C)Cc1ccnc(N2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)c1 ZINC001164894603 721471426 /nfs/dbraw/zinc/47/14/26/721471426.db2.gz OLIUZWFXENONDD-UHFFFAOYSA-N 0 3 422.489 1.633 20 0 HDADHN CNC(=O)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164904753 721566500 /nfs/dbraw/zinc/56/65/00/721566500.db2.gz FNPYLYFUHGJTOW-UKRRQHHQSA-N 0 3 405.861 1.971 20 0 HDADHN CN(C)C(=O)CN1CCC2(CCCN2c2cccc(N3CCN(C)CC3)n2)CC1 ZINC001165009611 721741620 /nfs/dbraw/zinc/74/16/20/721741620.db2.gz GYKZSYVMPDBOPX-UHFFFAOYSA-N 0 3 400.571 1.356 20 0 HDADHN O=C1COc2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc2N1 ZINC001164964111 722056952 /nfs/dbraw/zinc/05/69/52/722056952.db2.gz RKZCIWIDDLWBBG-UHFFFAOYSA-N 0 3 409.490 1.927 20 0 HDADHN CS(=O)(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164983824 722136714 /nfs/dbraw/zinc/13/67/14/722136714.db2.gz VKDLUISAJWZZTM-IEBWSBKVSA-N 0 3 402.520 1.607 20 0 HDADHN CN1CCN(c2nccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164978904 722149393 /nfs/dbraw/zinc/14/93/93/722149393.db2.gz KRHGRMNBNJXEOD-RTWAWAEBSA-N 0 3 423.565 1.351 20 0 HDADHN FC(F)(F)Cn1nnnc1CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000429054051 1073476036 /nfs/dbraw/zinc/47/60/36/1073476036.db2.gz HHYOJTUNWYWZCU-MRXNPFEDSA-N 0 3 424.475 1.665 20 0 HDADHN CC(C)(O)CN1CCN(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)CC1 ZINC000429053874 1073476697 /nfs/dbraw/zinc/47/66/97/1073476697.db2.gz NZQJSMRHHVLDLE-IBGZPJMESA-N 0 3 406.596 1.702 20 0 HDADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N1CCN(Cc2ncc[nH]2)CC1 ZINC000429055162 1073481932 /nfs/dbraw/zinc/48/19/32/1073481932.db2.gz SGGAFCYNXLMQSG-FQEVSTJZSA-N 0 3 412.538 1.528 20 0 HDADHN CN(CCCN1CCN(C)CC1)C(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000429056407 1073484690 /nfs/dbraw/zinc/48/46/90/1073484690.db2.gz XBAHAERPJUOWDK-OAQYLSRUSA-N 0 3 419.639 1.883 20 0 HDADHN O=C(CCC(=O)N1CCCN(C[C@H]2CCCO2)CC1)N1CC(=O)Nc2ccccc21 ZINC000625190517 1073557793 /nfs/dbraw/zinc/55/77/93/1073557793.db2.gz QHGKOBXSPRZWHG-QGZVFWFLSA-N 0 3 414.506 1.465 20 0 HDADHN CN(Cc1ccccc1)[C@H]1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000673716687 1073648688 /nfs/dbraw/zinc/64/86/88/1073648688.db2.gz YQVODZUFNHHTRA-SFHVURJKSA-N 0 3 402.520 1.479 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)COCC(=O)NCc1cccnc1 ZINC000673749061 1073672405 /nfs/dbraw/zinc/67/24/05/1073672405.db2.gz DBENWQFRGHJEAY-LJQANCHMSA-N 0 3 410.518 1.837 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000673758230 1073692842 /nfs/dbraw/zinc/69/28/42/1073692842.db2.gz XFUNTPAPOSORGT-OAHLLOKOSA-N 0 3 411.506 1.645 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000673749975 1073694197 /nfs/dbraw/zinc/69/41/97/1073694197.db2.gz HBAMWRALFDTYTL-INIZCTEOSA-N 0 3 405.524 1.044 20 0 HDADHN O=C(NCCN1CCCC1)c1ccc(CNC(=O)c2cccn3c(=O)[nH]nc23)cc1 ZINC000509144363 1073721180 /nfs/dbraw/zinc/72/11/80/1073721180.db2.gz OKAAKHLRZUSCGG-UHFFFAOYSA-N 0 3 408.462 1.191 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CC1 ZINC000673817283 1073772402 /nfs/dbraw/zinc/77/24/02/1073772402.db2.gz RDIHRACWGBWNTO-UXHICEINSA-N 0 3 402.514 1.731 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1 ZINC000429151459 1073788374 /nfs/dbraw/zinc/78/83/74/1073788374.db2.gz NKQZYHGSLMZHEC-UHFFFAOYSA-N 0 3 419.526 1.415 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCCN2c2ncccn2)CC1 ZINC000673831078 1073789096 /nfs/dbraw/zinc/78/90/96/1073789096.db2.gz GLPBZAIPNRVJGB-NRFANRHFSA-N 0 3 408.550 1.899 20 0 HDADHN CN1CCN(CCCNC(=O)[C@@H]2CCCN2c2ncccn2)[C@@H](c2ccccc2)C1 ZINC000673830804 1073790154 /nfs/dbraw/zinc/79/01/54/1073790154.db2.gz OEPNDWYCZQYMFZ-LEWJYISDSA-N 0 3 408.550 1.940 20 0 HDADHN CN1CCN(CCCNC(=O)[C@H]2CCCN2c2ncccn2)[C@@H](c2ccccc2)C1 ZINC000673830805 1073790413 /nfs/dbraw/zinc/79/04/13/1073790413.db2.gz OEPNDWYCZQYMFZ-NHCUHLMSSA-N 0 3 408.550 1.940 20 0 HDADHN COc1ccccc1C[C@H](N[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)C ZINC000543490061 1073796984 /nfs/dbraw/zinc/79/69/84/1073796984.db2.gz AXFBUEQTLCKJOA-HIFRSBDPSA-N 0 3 402.495 1.103 20 0 HDADHN C[C@H](N[C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000543497595 1073849922 /nfs/dbraw/zinc/84/99/22/1073849922.db2.gz UKPWQVLBOOMISB-KBXCAEBGSA-N 0 3 424.567 1.678 20 0 HDADHN Cc1ccc(CN2CCCN(C(=O)CN3CCN(C(C)(C)CO)CC3)CC2)cc1 ZINC000673895240 1073865935 /nfs/dbraw/zinc/86/59/35/1073865935.db2.gz GXKZQNSTJGXGLM-UHFFFAOYSA-N 0 3 402.583 1.418 20 0 HDADHN CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000673907343 1073872745 /nfs/dbraw/zinc/87/27/45/1073872745.db2.gz XIQFQSNZHCEHBX-IBGZPJMESA-N 0 3 411.568 1.674 20 0 HDADHN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)C(=O)N1CCC[C@H](O)C1 ZINC000670441356 1073967941 /nfs/dbraw/zinc/96/79/41/1073967941.db2.gz NYSGDIGOZXMZFU-FDFHNCONSA-N 0 3 407.514 1.754 20 0 HDADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000543535330 1074035773 /nfs/dbraw/zinc/03/57/73/1074035773.db2.gz XGLSIYOXFNDSOD-CABCVRRESA-N 0 3 422.551 1.184 20 0 HDADHN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCCC2)cc1 ZINC000674019788 1074075947 /nfs/dbraw/zinc/07/59/47/1074075947.db2.gz DESWNYFCFDPILX-UHFFFAOYSA-N 0 3 403.570 1.481 20 0 HDADHN COCCn1ncc2ccc(NC(=O)C(=O)NC[C@]3(N(C)C)CCSC3)cc21 ZINC000674040686 1074122608 /nfs/dbraw/zinc/12/26/08/1074122608.db2.gz USUVTNGLMVNFSI-LJQANCHMSA-N 0 3 405.524 1.175 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC(C)(C)S(C)(=O)=O)c(C)c2)CC1 ZINC000674041067 1074127351 /nfs/dbraw/zinc/12/73/51/1074127351.db2.gz HWGDUSFMYBAHGL-UHFFFAOYSA-N 0 3 424.567 1.015 20 0 HDADHN CNc1nc(NC[C@@]2(C)CCO[C@H]2C2CC2)nc(NC[C@]2(C)CCO[C@@H]2C2CC2)n1 ZINC000466622120 1074143077 /nfs/dbraw/zinc/14/30/77/1074143077.db2.gz XGQYYHAKZQSQFG-UWSKWSKGSA-N 0 3 416.570 1.413 20 0 HDADHN CCCCn1c(N)c(N(CC)C(=O)CN2CCC3(CCOCC3)[C@@H]2C)c(=O)[nH]c1=O ZINC000543574849 1074148151 /nfs/dbraw/zinc/14/81/51/1074148151.db2.gz RIGXSSHCFDIWLX-HNNXBMFYSA-N 0 3 421.542 1.575 20 0 HDADHN CCCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000674193382 1074208046 /nfs/dbraw/zinc/20/80/46/1074208046.db2.gz XYKPSFIVHKTXQL-SFHVURJKSA-N 0 3 422.551 1.767 20 0 HDADHN COC1CCN(CCNC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000674310695 1074268501 /nfs/dbraw/zinc/26/85/01/1074268501.db2.gz IVZYDUUVSMXECY-QVKFZJNVSA-N 0 3 408.543 1.350 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)CC1 ZINC000674311284 1074269492 /nfs/dbraw/zinc/26/94/92/1074269492.db2.gz NCHANZYKOSYTBT-CYBMUJFWSA-N 0 3 407.540 1.289 20 0 HDADHN COc1ccc([C@H]2[C@H](C(=O)NCCN3CCC(OC)CC3)CCC(=O)N2C)cc1 ZINC000674325277 1074274794 /nfs/dbraw/zinc/27/47/94/1074274794.db2.gz LDOJXHQDABFSCA-CTNGQTDRSA-N 0 3 403.523 1.832 20 0 HDADHN COC1CCN(CCNC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000674326016 1074274937 /nfs/dbraw/zinc/27/49/37/1074274937.db2.gz VNIAZMMVLBIHLF-UHFFFAOYSA-N 0 3 401.504 1.111 20 0 HDADHN COC1CCN(CCNC(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)CC1 ZINC000674325965 1074275437 /nfs/dbraw/zinc/27/54/37/1074275437.db2.gz SXVZPNUATVTDGJ-UHFFFAOYSA-N 0 3 418.519 1.871 20 0 HDADHN COC1CCN(CCNC(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)CC1 ZINC000674326914 1074276421 /nfs/dbraw/zinc/27/64/21/1074276421.db2.gz HHHKOMYDLJWQAW-HXUWFJFHSA-N 0 3 408.518 1.609 20 0 HDADHN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000674335838 1074283545 /nfs/dbraw/zinc/28/35/45/1074283545.db2.gz YOZBSDOAAUXYLS-YWZLYKJASA-N 0 3 417.531 1.975 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@H]2CN[C@H](C(N)=O)c2ccc(Br)cc2)C1=O ZINC000674412837 1074313691 /nfs/dbraw/zinc/31/36/91/1074313691.db2.gz TTWZWNSTZXBWJC-BNLOLNQZSA-N 0 3 409.284 1.286 20 0 HDADHN CC[C@@H](CNC(=O)N(C)CCN1CCCS1(=O)=O)N1CCc2ccccc2C1 ZINC000674423940 1074326174 /nfs/dbraw/zinc/32/61/74/1074326174.db2.gz FFSIBEIFCSWAJM-IBGZPJMESA-N 0 3 408.568 1.500 20 0 HDADHN CCN(CC)[C@H](CNC(=O)N(C)CCN1CCCS1(=O)=O)c1ccsc1 ZINC000674425828 1074328517 /nfs/dbraw/zinc/32/85/17/1074328517.db2.gz FVNXAPMXFVILGE-MRXNPFEDSA-N 0 3 402.586 1.808 20 0 HDADHN Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)N(C)C)cc1 ZINC000674431739 1074342978 /nfs/dbraw/zinc/34/29/78/1074342978.db2.gz UFPIMEXQWCDJHZ-FIKGOQFSSA-N 0 3 401.511 1.617 20 0 HDADHN CCN1C(=O)[C@@H]2CN(CCC(=O)Nc3cc(OC)c(Cl)cc3OC)CCN2C1=O ZINC000674500545 1074395871 /nfs/dbraw/zinc/39/58/71/1074395871.db2.gz BCHQDFJZWBJZKO-AWEZNQCLSA-N 0 3 424.885 1.654 20 0 HDADHN C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2cccs2)C(=O)N1c1cnn(C)c1 ZINC000674636952 1074491438 /nfs/dbraw/zinc/49/14/38/1074491438.db2.gz WAGSAOXTWDJALE-YOEHRIQHSA-N 0 3 404.540 1.749 20 0 HDADHN CC[C@H](NC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)C(=O)N1CCOCC1 ZINC000674647196 1074503768 /nfs/dbraw/zinc/50/37/68/1074503768.db2.gz HTJJMJMCMXRHAZ-QUCCMNQESA-N 0 3 402.539 1.930 20 0 HDADHN C[C@H](C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674670573 1074520137 /nfs/dbraw/zinc/52/01/37/1074520137.db2.gz XEZSUMYWMGJFRH-KSSFIOAISA-N 0 3 407.536 1.134 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1CCN(c2cccs2)CC1 ZINC000674783954 1074564319 /nfs/dbraw/zinc/56/43/19/1074564319.db2.gz XOAYWABJHNCSQE-QGZVFWFLSA-N 0 3 407.584 1.959 20 0 HDADHN Cn1cnc(S(=O)(=O)NCC(=O)N[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC000674876140 1074598852 /nfs/dbraw/zinc/59/88/52/1074598852.db2.gz BWRHLTWJSVBFLD-QGZVFWFLSA-N 0 3 405.524 1.042 20 0 HDADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1cccc(CN2CCCC2=O)c1 ZINC000674899434 1074606610 /nfs/dbraw/zinc/60/66/10/1074606610.db2.gz DFXUEZQEYGADRB-UHFFFAOYSA-N 0 3 412.490 1.931 20 0 HDADHN Cc1c(C(=O)N2CCS(=O)(=O)C(C)(C)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000674964075 1074639816 /nfs/dbraw/zinc/63/98/16/1074639816.db2.gz IOQCVELCWJSXRH-UHFFFAOYSA-N 0 3 417.535 1.213 20 0 HDADHN C[C@@H]1CN(CN2C(=O)c3ccc(Br)cc3C2=O)CCN1CC(C)(C)O ZINC000766087641 1074665800 /nfs/dbraw/zinc/66/58/00/1074665800.db2.gz JUFFIWQEOQKLRX-GFCCVEGCSA-N 0 3 410.312 1.780 20 0 HDADHN CCN1C(=O)[C@H]2CN(C(=O)NCC(C)(C)N3CCc4ccccc4C3)CCN2C1=O ZINC000675089891 1074712486 /nfs/dbraw/zinc/71/24/86/1074712486.db2.gz YXXWIYUYIRDZGI-GOSISDBHSA-N 0 3 413.522 1.501 20 0 HDADHN O=C(CN[C@@H]1Cc2cccc(O)c2C1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000429317770 1074712947 /nfs/dbraw/zinc/71/29/47/1074712947.db2.gz PGGCYCXASQROTO-AEFFLSMTSA-N 0 3 406.548 1.797 20 0 HDADHN C[C@H]1C[C@H](NC(=O)NCc2cc(S(N)(=O)=O)ccc2F)CN1Cc1ccccc1 ZINC000675102629 1074718801 /nfs/dbraw/zinc/71/88/01/1074718801.db2.gz KILNMTZCXQUCGP-YOEHRIQHSA-N 0 3 420.510 1.935 20 0 HDADHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000466665037 1074726152 /nfs/dbraw/zinc/72/61/52/1074726152.db2.gz MYUWGHZOGGQGFY-IRXDYDNUSA-N 0 3 409.552 1.338 20 0 HDADHN CC(C)(C)N1C[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)CC1=O ZINC000429322281 1074754467 /nfs/dbraw/zinc/75/44/67/1074754467.db2.gz JSRFNCXWXIIIHJ-IPMKNSEASA-N 0 3 402.539 1.568 20 0 HDADHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000524480249 1074784490 /nfs/dbraw/zinc/78/44/90/1074784490.db2.gz UGSHSEKTGAHKRO-IBGZPJMESA-N 0 3 404.474 1.987 20 0 HDADHN COc1ccccc1OCCNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000670507389 1075094468 /nfs/dbraw/zinc/09/44/68/1075094468.db2.gz DBKAZXYNBQKGKI-IBGZPJMESA-N 0 3 411.502 1.923 20 0 HDADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000670512310 1075095859 /nfs/dbraw/zinc/09/58/59/1075095859.db2.gz IPJWUTMDUMTTRG-KRWDZBQOSA-N 0 3 415.456 1.933 20 0 HDADHN CCCN(CCN1CCCCCC1)C(=O)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000584863831 1075120953 /nfs/dbraw/zinc/12/09/53/1075120953.db2.gz XBFNRJCXIQGRIF-UHFFFAOYSA-N 0 3 412.538 2.380 20 0 HDADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000675433368 1075142728 /nfs/dbraw/zinc/14/27/28/1075142728.db2.gz NKFUQLXMVDYVJI-GUYCJALGSA-N 0 3 422.888 1.301 20 0 HDADHN Cc1ccc([C@H](O)CN[C@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)o1 ZINC000766140869 1075162726 /nfs/dbraw/zinc/16/27/26/1075162726.db2.gz LNZJKQLLHJAIIO-CZUORRHYSA-N 0 3 416.521 1.698 20 0 HDADHN CSC[C@H](CCO)N[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766140701 1075163625 /nfs/dbraw/zinc/16/36/25/1075163625.db2.gz RXWCGEKAHCXNEF-OCCSQVGLSA-N 0 3 410.583 1.177 20 0 HDADHN Cc1nn(C)c2ncc(S(=O)(=O)N3C[C@@H](CN(C)C)Oc4ccccc43)cc12 ZINC000675470954 1075165620 /nfs/dbraw/zinc/16/56/20/1075165620.db2.gz HKVTWWXHBOTOIC-CQSZACIVSA-N 0 3 401.492 1.795 20 0 HDADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000537461663 1075166202 /nfs/dbraw/zinc/16/62/02/1075166202.db2.gz KVVNEJOQDULCFW-UHFFFAOYSA-N 0 3 407.902 1.809 20 0 HDADHN CN(C)C[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c2ccccc2O1 ZINC000675472536 1075166958 /nfs/dbraw/zinc/16/69/58/1075166958.db2.gz PDLGANSOWLTZQN-HNNXBMFYSA-N 0 3 418.519 1.769 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)c2ccccc2O1 ZINC000675490325 1075174921 /nfs/dbraw/zinc/17/49/21/1075174921.db2.gz BCPRZLONCOARCY-HNNXBMFYSA-N 0 3 400.479 1.597 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)c2ccccc2O1 ZINC000675489798 1075175015 /nfs/dbraw/zinc/17/50/15/1075175015.db2.gz JIRFDLAQDNYHDP-MRXNPFEDSA-N 0 3 405.458 1.941 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c2ccccc2O1 ZINC000675491279 1075175332 /nfs/dbraw/zinc/17/53/32/1075175332.db2.gz ILCGYPCFCHZWRZ-MRXNPFEDSA-N 0 3 414.506 1.939 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)CSc2nnnn2CC(F)(F)F)c2ccccc2O1 ZINC000675490681 1075175592 /nfs/dbraw/zinc/17/55/92/1075175592.db2.gz TUHWOCJGXXVRPM-NSHDSACASA-N 0 3 416.429 1.683 20 0 HDADHN CCN(C(=O)C(=O)Nc1ccn(-c2ccncc2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000446877497 1075187089 /nfs/dbraw/zinc/18/70/89/1075187089.db2.gz MJWMCZPHLIDCLX-HXUWFJFHSA-N 0 3 418.501 2.329 20 0 HDADHN Cc1c(C(=O)N2CCC(S(C)(=O)=O)CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000675507107 1075187727 /nfs/dbraw/zinc/18/77/27/1075187727.db2.gz HSZLZENKGXDRSO-UHFFFAOYSA-N 0 3 417.535 1.213 20 0 HDADHN COc1cc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)sc1S(N)(=O)=O ZINC000675511501 1075190378 /nfs/dbraw/zinc/19/03/78/1075190378.db2.gz KDEBHKFLXQSQGW-LLVKDONJSA-N 0 3 411.505 1.374 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c2ccccc2O1 ZINC000675512049 1075190675 /nfs/dbraw/zinc/19/06/75/1075190675.db2.gz FIOWFDVKISJKCH-KRWDZBQOSA-N 0 3 408.458 1.708 20 0 HDADHN CN(CC(=O)NC1CCN([C@H]2CCOC2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000675541003 1075197188 /nfs/dbraw/zinc/19/71/88/1075197188.db2.gz KBYSYJNZIXBBDG-INIZCTEOSA-N 0 3 415.943 1.330 20 0 HDADHN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000675540784 1075197365 /nfs/dbraw/zinc/19/73/65/1075197365.db2.gz ITBYUYPMAPUFPO-RTBURBONSA-N 0 3 402.474 1.274 20 0 HDADHN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000675540783 1075197380 /nfs/dbraw/zinc/19/73/80/1075197380.db2.gz ITBYUYPMAPUFPO-RBUKOAKNSA-N 0 3 402.474 1.274 20 0 HDADHN Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cnccc2N2CCN(C)CC2)no1 ZINC000604342284 1075213471 /nfs/dbraw/zinc/21/34/71/1075213471.db2.gz INGXLQBDVZDKGO-CQSZACIVSA-N 0 3 418.523 1.829 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)Nc2cnn(CC3CC3)c2)CC1 ZINC000675586624 1075217257 /nfs/dbraw/zinc/21/72/57/1075217257.db2.gz WLOAOYUAQWVHIQ-UHFFFAOYSA-N 0 3 424.549 1.686 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2nn(-c3ncccc3F)cc2C)CC1 ZINC000448336380 1075232252 /nfs/dbraw/zinc/23/22/52/1075232252.db2.gz CQHWBRYTFUXYPK-HNNXBMFYSA-N 0 3 403.506 2.110 20 0 HDADHN CCN1CCN(Cc2ccccc2CNc2nc(C)c(S(N)(=O)=O)s2)CC1 ZINC000554933384 1075233259 /nfs/dbraw/zinc/23/32/59/1075233259.db2.gz WOBDJCFCYLPPGI-UHFFFAOYSA-N 0 3 409.581 1.849 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1 ZINC000490382981 1075233939 /nfs/dbraw/zinc/23/39/39/1075233939.db2.gz XLFJAXMBPVGVJR-OAHLLOKOSA-N 0 3 418.929 1.606 20 0 HDADHN CCS(=O)(=O)N1CCC(CNCc2c(C)nn(C)c2OCC(F)(F)F)CC1 ZINC000543643195 1075259346 /nfs/dbraw/zinc/25/93/46/1075259346.db2.gz NDNUPJPHGZUCQJ-UHFFFAOYSA-N 0 3 412.478 1.821 20 0 HDADHN C[C@@H](CNC(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1)CN1CCN(C)CC1 ZINC000429374045 1075263297 /nfs/dbraw/zinc/26/32/97/1075263297.db2.gz UIUIFEPCARFQMB-IRXDYDNUSA-N 0 3 400.527 1.904 20 0 HDADHN C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCC(=O)N1CCN(C)CC1 ZINC000675782723 1075270994 /nfs/dbraw/zinc/27/09/94/1075270994.db2.gz XLFIZOZPOTZIHB-ZDUSSCGKSA-N 0 3 402.417 1.666 20 0 HDADHN C[C@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1cccc(-n2cnnn2)c1 ZINC000675813952 1075275667 /nfs/dbraw/zinc/27/56/67/1075275667.db2.gz STPIRGASXOBLDQ-HNNXBMFYSA-N 0 3 406.494 1.610 20 0 HDADHN CNS(=O)(=O)c1cccc([C@H](C)N[C@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000675848606 1075278215 /nfs/dbraw/zinc/27/82/15/1075278215.db2.gz ONFAZSMFONFCIU-HOCLYGCPSA-N 0 3 402.520 1.623 20 0 HDADHN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000675848607 1075278300 /nfs/dbraw/zinc/27/83/00/1075278300.db2.gz ONFAZSMFONFCIU-ZBFHGGJFSA-N 0 3 402.520 1.623 20 0 HDADHN COCCn1ncc2ccc(NC(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)cc21 ZINC000675883318 1075288796 /nfs/dbraw/zinc/28/87/96/1075288796.db2.gz LVRMQACULNGMCL-GOSISDBHSA-N 0 3 414.510 1.453 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnnn2-c2ccccc2Cl)CC1 ZINC000675918055 1075291493 /nfs/dbraw/zinc/29/14/93/1075291493.db2.gz NHLIRGBXHMFTNE-INIZCTEOSA-N 0 3 402.886 1.299 20 0 HDADHN O=C(CN1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2)N1CCCCC1 ZINC001035208245 1075293511 /nfs/dbraw/zinc/29/35/11/1075293511.db2.gz SEYDSIDCOXNRIT-IYWGDAJJSA-N 0 3 401.551 1.737 20 0 HDADHN Cc1noc(C[C@@H](NC(=O)N(C)CCCN2CCN(C)CC2)c2ccccc2)n1 ZINC000429386306 1075304969 /nfs/dbraw/zinc/30/49/69/1075304969.db2.gz JHKVRUNOWGXQMO-LJQANCHMSA-N 0 3 400.527 1.941 20 0 HDADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(C)CC2CCN(C)CC2)c1 ZINC000509375422 1075309648 /nfs/dbraw/zinc/30/96/48/1075309648.db2.gz XRXFPVFBEITQEN-UHFFFAOYSA-N 0 3 417.597 1.679 20 0 HDADHN COc1cccc2c1OCC[C@H]2NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000675976001 1075317965 /nfs/dbraw/zinc/31/79/65/1075317965.db2.gz CNSBWOQMTUMQAL-SJORKVTESA-N 0 3 402.495 1.467 20 0 HDADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000676020105 1075326372 /nfs/dbraw/zinc/32/63/72/1075326372.db2.gz HQXYPYZXWWZXPI-NZQKXSOJSA-N 0 3 414.550 1.856 20 0 HDADHN O=C(Nc1cnn(-c2ccncc2)c1)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000676092113 1075352915 /nfs/dbraw/zinc/35/29/15/1075352915.db2.gz XRNHSWPJAKTIIB-UHFFFAOYSA-N 0 3 404.474 1.940 20 0 HDADHN CN(C)[C@H]1Cc2ccccc2N(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)C1 ZINC000731466057 1075357228 /nfs/dbraw/zinc/35/72/28/1075357228.db2.gz PLBVQWPPGGATIZ-MHECFPHRSA-N 0 3 418.497 1.899 20 0 HDADHN Cc1c(C(=O)NCC(=O)NCc2ccccc2)nnn1-c1cccc2c1CCN(C)C2 ZINC000731459318 1075364999 /nfs/dbraw/zinc/36/49/99/1075364999.db2.gz CCVXKQHOGROXPY-UHFFFAOYSA-N 0 3 418.501 1.610 20 0 HDADHN COCCOCC(=O)NC1CCC(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)CC1 ZINC000731479012 1075370951 /nfs/dbraw/zinc/37/09/51/1075370951.db2.gz MWKIAKKTNUZIGC-UUKMXZOPSA-N 0 3 417.550 1.844 20 0 HDADHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000804087440 1075378021 /nfs/dbraw/zinc/37/80/21/1075378021.db2.gz JLHMAKKSYMQTGD-BRWVUGGUSA-N 0 3 408.543 1.539 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)c2ccccc2O1 ZINC000676190527 1075420550 /nfs/dbraw/zinc/42/05/50/1075420550.db2.gz PNSFJIZGKNJYMA-ZHRRBRCNSA-N 0 3 408.458 1.711 20 0 HDADHN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000532998611 1075421997 /nfs/dbraw/zinc/42/19/97/1075421997.db2.gz VMIFDNMLWCPDTA-OAHLLOKOSA-N 0 3 400.458 1.740 20 0 HDADHN COc1ncnc(N(C)C)c1NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000676227370 1075448551 /nfs/dbraw/zinc/44/85/51/1075448551.db2.gz PNMMRGBYROOAMZ-UHFFFAOYSA-N 0 3 422.493 1.681 20 0 HDADHN COc1cc(CN[C@H]2CC(=O)N3CCCC[C@@H]23)ccc1OCC(=O)N1CCOCC1 ZINC000509399621 1075486833 /nfs/dbraw/zinc/48/68/33/1075486833.db2.gz ABGMOEGVAXDWTK-ROUUACIJSA-N 0 3 417.506 1.176 20 0 HDADHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cnn(C)c1Br ZINC000711749112 1075487350 /nfs/dbraw/zinc/48/73/50/1075487350.db2.gz KYGUDUXTWKKTFI-GOSISDBHSA-N 0 3 407.312 1.892 20 0 HDADHN C[C@@H](NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@H]1CN(C)CCO1 ZINC000676281212 1075487956 /nfs/dbraw/zinc/48/79/56/1075487956.db2.gz VIZBUMHBQRNIJG-VQIMIIECSA-N 0 3 420.579 1.052 20 0 HDADHN COC(=O)c1ccsc1N1CC[C@H](N2CCN(CC3CCOCC3)CC2)C1=O ZINC000466726993 1075504486 /nfs/dbraw/zinc/50/44/86/1075504486.db2.gz AQYWCFWBIULVJO-KRWDZBQOSA-N 0 3 407.536 1.684 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000731754705 1075511894 /nfs/dbraw/zinc/51/18/94/1075511894.db2.gz AHUBOKSWIZLKOA-LSDHHAIUSA-N 0 3 412.487 1.350 20 0 HDADHN O=C(CCn1ccnc1)Nc1cccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000676341673 1075515114 /nfs/dbraw/zinc/51/51/14/1075515114.db2.gz CHJZEFUSWSNFQL-FQEVSTJZSA-N 0 3 411.506 1.895 20 0 HDADHN CS(=O)(=O)CCN1CCC(NC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000731761274 1075515313 /nfs/dbraw/zinc/51/53/13/1075515313.db2.gz BXJSBRIIBDLAHP-UHFFFAOYSA-N 0 3 414.616 1.403 20 0 HDADHN O=C(N[C@H](Cc1cccnc1)C(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccccc1 ZINC000676342727 1075515929 /nfs/dbraw/zinc/51/59/29/1075515929.db2.gz KXBKXCCMXJFFHI-FCHUYYIVSA-N 0 3 422.529 1.792 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000676343484 1075517482 /nfs/dbraw/zinc/51/74/82/1075517482.db2.gz QYQXOQKUAAQYNV-ZWKOTPCHSA-N 0 3 415.490 1.389 20 0 HDADHN CCN1C(=O)N=NC1C1CCN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000676366395 1075525995 /nfs/dbraw/zinc/52/59/95/1075525995.db2.gz KPSAQMFSWNZRPD-INIZCTEOSA-N 0 3 414.466 1.061 20 0 HDADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CCNS(C)(=O)=O ZINC000676395641 1075542524 /nfs/dbraw/zinc/54/25/24/1075542524.db2.gz WCCIKPHWRNEIIA-QGZVFWFLSA-N 0 3 405.524 1.516 20 0 HDADHN CC[C@H](C)Oc1cc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1OC ZINC000676417391 1075548721 /nfs/dbraw/zinc/54/87/21/1075548721.db2.gz BTUIHJACYTXDCG-PKOBYXMFSA-N 0 3 405.539 1.895 20 0 HDADHN Cc1onc(NC(=O)C(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)c1C ZINC000571902552 1075580469 /nfs/dbraw/zinc/58/04/69/1075580469.db2.gz UNINTLZEZFVFEF-UHFFFAOYSA-N 0 3 413.522 2.257 20 0 HDADHN CN(C)[C@@H](CNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)Cc1ccccc1 ZINC000676544451 1075581472 /nfs/dbraw/zinc/58/14/72/1075581472.db2.gz GUBIKQUOJNTPEN-HXUWFJFHSA-N 0 3 406.490 1.554 20 0 HDADHN C[C@@H](NC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)C1=CCN(C)CC1 ZINC000442337943 1075583780 /nfs/dbraw/zinc/58/37/80/1075583780.db2.gz WRMYITJCYTWEQW-GFCCVEGCSA-N 0 3 422.411 1.991 20 0 HDADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676546296 1075591221 /nfs/dbraw/zinc/59/12/21/1075591221.db2.gz CHDUZBAZFQKEPU-IBGZPJMESA-N 0 3 406.490 1.554 20 0 HDADHN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)[C@H]3CCN(C4CC4)C3)C2=O)cc1 ZINC000732035011 1075592241 /nfs/dbraw/zinc/59/22/41/1075592241.db2.gz JDLYHCWUIVMXFP-KKSFZXQISA-N 0 3 400.479 1.157 20 0 HDADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676548007 1075594736 /nfs/dbraw/zinc/59/47/36/1075594736.db2.gz ZFTDHZDYRJZANV-UHFFFAOYSA-N 0 3 424.480 1.994 20 0 HDADHN CNC(=O)c1cncc(/C=C/C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)c1 ZINC000732073804 1075605117 /nfs/dbraw/zinc/60/51/17/1075605117.db2.gz MOUXHTDVGNZOGT-CMDGGOBGSA-N 0 3 421.545 1.731 20 0 HDADHN C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NCc2ccccc2CN2CCC(O)CC2)CC1=O ZINC000429452321 1075607888 /nfs/dbraw/zinc/60/78/88/1075607888.db2.gz YQTHWUCVZFBLEK-MOXGXCLJSA-N 0 3 400.523 1.452 20 0 HDADHN CN(CCNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000804180818 1075610827 /nfs/dbraw/zinc/61/08/27/1075610827.db2.gz VGZUSIAPNZHKLP-SFHVURJKSA-N 0 3 418.538 1.702 20 0 HDADHN COc1ccccc1Nc1nc(N)nc(CN2CCC(CN3CCOCC3)CC2)n1 ZINC000507919631 1075640473 /nfs/dbraw/zinc/64/04/73/1075640473.db2.gz KQTRYBQIDAAQGB-UHFFFAOYSA-N 0 3 413.526 1.172 20 0 HDADHN COc1ccc(NC(=O)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c(OC)n1 ZINC000676659249 1075640798 /nfs/dbraw/zinc/64/07/98/1075640798.db2.gz LCKOEXPCOBLSLW-AWEZNQCLSA-N 0 3 413.478 1.774 20 0 HDADHN CCN1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl ZINC000732138711 1075646941 /nfs/dbraw/zinc/64/69/41/1075646941.db2.gz GCYPJYDTQSRZMB-AWEZNQCLSA-N 0 3 417.959 1.869 20 0 HDADHN CCN1CCCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000732139343 1075647276 /nfs/dbraw/zinc/64/72/76/1075647276.db2.gz OGYFEHISCUTMBE-NSHDSACASA-N 0 3 404.330 1.701 20 0 HDADHN CC(C)(CO)N1CCN(CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC000676702298 1075652170 /nfs/dbraw/zinc/65/21/70/1075652170.db2.gz UMJUDHBVYUHLBP-HXUWFJFHSA-N 0 3 423.001 1.982 20 0 HDADHN COC(=O)CCN(Cc1ccc(F)c(F)c1)CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000732180673 1075662603 /nfs/dbraw/zinc/66/26/03/1075662603.db2.gz DIILJVJABQBTIC-UHFFFAOYSA-N 0 3 424.448 1.304 20 0 HDADHN CN(CN1C(=O)NC2(CCN(C)CC2)C1=O)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000732183994 1075663017 /nfs/dbraw/zinc/66/30/17/1075663017.db2.gz CTJQOJOXWDHJOZ-MRXNPFEDSA-N 0 3 419.913 1.351 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(OCCN2CCCC[C@@H]2CN2CCCC2=O)cc1 ZINC000732211147 1075668423 /nfs/dbraw/zinc/66/84/23/1075668423.db2.gz BGBOCQPJGXUROC-QGZVFWFLSA-N 0 3 409.552 1.793 20 0 HDADHN CCCCCCN(C)CC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000732284828 1075697842 /nfs/dbraw/zinc/69/78/42/1075697842.db2.gz DGEREMUHVCNPJX-UHFFFAOYSA-N 0 3 410.584 1.755 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCc3nncn3C3CC3)c(C)c2)CC1 ZINC000429469726 1075712725 /nfs/dbraw/zinc/71/27/25/1075712725.db2.gz DINYWOISLVHDQS-UHFFFAOYSA-N 0 3 411.510 1.318 20 0 HDADHN CC(C)CN(CCN(C)C)C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509258463 1075739065 /nfs/dbraw/zinc/73/90/65/1075739065.db2.gz ZRYYWJKBPMRVRZ-MRXNPFEDSA-N 0 3 416.613 1.988 20 0 HDADHN C[C@@H]1CCN(C)CCN1C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509259558 1075745352 /nfs/dbraw/zinc/74/53/52/1075745352.db2.gz VNCUIFSDIUICEM-HUUCEWRRSA-N 0 3 400.570 1.494 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000732463239 1075751178 /nfs/dbraw/zinc/75/11/78/1075751178.db2.gz LGFNFNFXLOSJIC-IEBWSBKVSA-N 0 3 404.511 1.919 20 0 HDADHN CCCCNS(=O)(=O)c1cccc(NC(=O)NC[C@H]2CCCN2CCOC)c1 ZINC000732467256 1075754150 /nfs/dbraw/zinc/75/41/50/1075754150.db2.gz TVQRKHHPSHRQGD-QGZVFWFLSA-N 0 3 412.556 1.997 20 0 HDADHN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462185960 1075764936 /nfs/dbraw/zinc/76/49/36/1075764936.db2.gz IRTXQVXPTOKTNM-LIRRHRJNSA-N 0 3 407.522 1.893 20 0 HDADHN Cc1nc2nc(N)nn2c(C)c1CCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000644695665 1075765531 /nfs/dbraw/zinc/76/55/31/1075765531.db2.gz ZABGVDGWSXUBGF-QGZVFWFLSA-N 0 3 409.494 1.461 20 0 HDADHN Nc1nc(C2CC2)ncc1C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000497771160 1075767289 /nfs/dbraw/zinc/76/72/89/1075767289.db2.gz HMXWJDHQBHEKAB-UHFFFAOYSA-N 0 3 408.506 1.692 20 0 HDADHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000462802396 1075809707 /nfs/dbraw/zinc/80/97/07/1075809707.db2.gz MSBCINGLTBZETE-YOEHRIQHSA-N 0 3 422.489 2.019 20 0 HDADHN CN1CCC(NC(=S)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 ZINC000732623743 1075810105 /nfs/dbraw/zinc/81/01/05/1075810105.db2.gz LWGMUBVODPULBO-UHFFFAOYSA-N 0 3 402.508 1.106 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000509278817 1075810786 /nfs/dbraw/zinc/81/07/86/1075810786.db2.gz JTCNCSTYWKQWLU-MRXNPFEDSA-N 0 3 403.527 1.902 20 0 HDADHN CCOC(=O)CC[C@@H]1CCCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000611065823 1075823411 /nfs/dbraw/zinc/82/34/11/1075823411.db2.gz HESZLVUMARBVER-ROUUACIJSA-N 0 3 410.559 1.694 20 0 HDADHN CC(C)Cc1ccc([C@@H](CNC(=O)Nc2ncn(CC(=O)N(C)C)n2)N(C)C)cc1 ZINC000554233218 1075836688 /nfs/dbraw/zinc/83/66/88/1075836688.db2.gz PAIVIZVZNSNERN-GOSISDBHSA-N 0 3 415.542 1.989 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccc(Cn3cncn3)cc2)CC1 ZINC000509295229 1075864048 /nfs/dbraw/zinc/86/40/48/1075864048.db2.gz ULAPJXLKOGINJZ-UHFFFAOYSA-N 0 3 413.526 1.022 20 0 HDADHN COC(=O)Cc1ccc(S(=O)(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)cc1 ZINC000611167725 1075865876 /nfs/dbraw/zinc/86/58/76/1075865876.db2.gz IWAMCNXIXHNPER-UHFFFAOYSA-N 0 3 423.579 1.581 20 0 HDADHN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)o1 ZINC000611167710 1075865919 /nfs/dbraw/zinc/86/59/19/1075865919.db2.gz DOXLDCQRBQFSIX-UHFFFAOYSA-N 0 3 413.540 1.635 20 0 HDADHN CC(=O)N1CCC(N(CCCN2C(=O)NC(C)(C)C2=O)Cc2cncs2)CC1 ZINC000429305498 1075868708 /nfs/dbraw/zinc/86/87/08/1075868708.db2.gz LYBKFONKWIMLIU-UHFFFAOYSA-N 0 3 407.540 1.677 20 0 HDADHN CCOC[C@H](C(=O)OC)N(C)CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000611209098 1075874208 /nfs/dbraw/zinc/87/42/08/1075874208.db2.gz ZNVXJGNPMBCAHA-HXUWFJFHSA-N 0 3 405.539 1.539 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)CC1 ZINC000732838381 1075883218 /nfs/dbraw/zinc/88/32/18/1075883218.db2.gz GDBGIBFDZQYNDC-AWEZNQCLSA-N 0 3 411.572 1.924 20 0 HDADHN COC(=O)c1cccc([C@H](C(=O)OC)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000611244299 1075884654 /nfs/dbraw/zinc/88/46/54/1075884654.db2.gz QBDHFEOCHDSMMU-QZTJIDSGSA-N 0 3 403.479 1.101 20 0 HDADHN COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000611244249 1075885369 /nfs/dbraw/zinc/88/53/69/1075885369.db2.gz NCBNOXYDXLVGRF-BEFAXECRSA-N 0 3 416.522 1.523 20 0 HDADHN COC(=O)C(C)(C)[C@@H]1CCCN([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000611322316 1075900513 /nfs/dbraw/zinc/90/05/13/1075900513.db2.gz PPUJFEPFHQILGG-IAGOWNOFSA-N 0 3 403.527 1.425 20 0 HDADHN COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000611327235 1075907557 /nfs/dbraw/zinc/90/75/57/1075907557.db2.gz PWEZBEMTIBUSEM-SJORKVTESA-N 0 3 410.559 1.550 20 0 HDADHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000732919762 1075914122 /nfs/dbraw/zinc/91/41/22/1075914122.db2.gz VYFWPWIAWOHDIC-JKSUJKDBSA-N 0 3 408.506 1.383 20 0 HDADHN CCOC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)cn1C ZINC000611361788 1075918875 /nfs/dbraw/zinc/91/88/75/1075918875.db2.gz RGHQHKHOXKLLED-GOSISDBHSA-N 0 3 412.490 1.873 20 0 HDADHN CN(C)[C@H](CNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)c1ccccc1 ZINC000733036390 1075960495 /nfs/dbraw/zinc/96/04/95/1075960495.db2.gz SNAUTAIACJNJMQ-MRXNPFEDSA-N 0 3 418.510 1.853 20 0 HDADHN O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CCN(C2CCCC2)CC1 ZINC000733045702 1075964397 /nfs/dbraw/zinc/96/43/97/1075964397.db2.gz QPYIIKPTJFQRDH-UHFFFAOYSA-N 0 3 408.515 1.521 20 0 HDADHN C[C@@H]1CN(CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001079733294 1075976952 /nfs/dbraw/zinc/97/69/52/1075976952.db2.gz BYAOKHBVPZIKPX-UYTYNIKBSA-N 0 3 402.539 1.746 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)CN2C(=S)N=NC2c2cccc(C)c2)CC1 ZINC000733158116 1075992210 /nfs/dbraw/zinc/99/22/10/1075992210.db2.gz DDQKHHKDYRBCTA-MRXNPFEDSA-N 0 3 402.568 1.684 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000733159234 1075993234 /nfs/dbraw/zinc/99/32/34/1075993234.db2.gz MVDTXBWCUXLSSD-AWEZNQCLSA-N 0 3 421.343 1.786 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)CC1 ZINC000733161908 1075994196 /nfs/dbraw/zinc/99/41/96/1075994196.db2.gz MUWIAVJCRVSHTF-FYCOFBDGSA-N 0 3 400.527 1.461 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000733171544 1076001378 /nfs/dbraw/zinc/00/13/78/1076001378.db2.gz YKJJGNCYKKLIMO-SUMWQHHRSA-N 0 3 422.517 1.981 20 0 HDADHN COC[C@H]1CCCN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)C1 ZINC000733184911 1076012069 /nfs/dbraw/zinc/01/20/69/1076012069.db2.gz ZABMRXXMVCVTGD-UGKGYDQZSA-N 0 3 400.523 1.889 20 0 HDADHN COC(=O)CCN(CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O)C(C)C ZINC000733185378 1076012325 /nfs/dbraw/zinc/01/23/25/1076012325.db2.gz YWXPRMDFGNVREB-JOCHJYFZSA-N 0 3 416.522 1.804 20 0 HDADHN O=C(N[C@H](Cc1cccnc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000733256104 1076024419 /nfs/dbraw/zinc/02/44/19/1076024419.db2.gz CKWXXYVHCGPXAG-QHAWAJNXSA-N 0 3 408.502 1.402 20 0 HDADHN CC[C@H](CO)NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C ZINC000727058168 1076035250 /nfs/dbraw/zinc/03/52/50/1076035250.db2.gz NHGUKRROASGBEE-OAHLLOKOSA-N 0 3 412.556 1.226 20 0 HDADHN S=c1n(CN2CCN(C3CCC3)CC2)nc(N2CCOCC2)n1C[C@@H]1CCCO1 ZINC000733295603 1076041456 /nfs/dbraw/zinc/04/14/56/1076041456.db2.gz BJMTWDMQSHNVNB-SFHVURJKSA-N 0 3 422.599 1.557 20 0 HDADHN COCCOC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000727231465 1076086014 /nfs/dbraw/zinc/08/60/14/1076086014.db2.gz NJOPQFZLOBAADK-KRWDZBQOSA-N 0 3 404.467 1.517 20 0 HDADHN CNC(=O)c1cccc(CN2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1 ZINC000733795267 1076215349 /nfs/dbraw/zinc/21/53/49/1076215349.db2.gz WFRNYACZTVPIIL-SFHVURJKSA-N 0 3 418.538 1.899 20 0 HDADHN O=C([C@@H]1CN2CCN1CCC2)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000536532031 1076256546 /nfs/dbraw/zinc/25/65/46/1076256546.db2.gz NAQFTIALLFFVMQ-ZBFHGGJFSA-N 0 3 422.455 1.844 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)CN1C(=S)N=NC1c1ccc(OC)cc1 ZINC000727860163 1076274711 /nfs/dbraw/zinc/27/47/11/1076274711.db2.gz UXIRQQRRUAZXSM-HNNXBMFYSA-N 0 3 405.524 1.469 20 0 HDADHN CC(C)N1CCCN(C(=O)C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000727953105 1076296556 /nfs/dbraw/zinc/29/65/56/1076296556.db2.gz WUJJDADVOAHKDA-UHFFFAOYSA-N 0 3 415.538 1.270 20 0 HDADHN O=C(CN1CCC[C@@H](C2OCCO2)C1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000728052668 1076320145 /nfs/dbraw/zinc/32/01/45/1076320145.db2.gz ATISQBDHSPFSQH-QGZVFWFLSA-N 0 3 402.495 1.448 20 0 HDADHN C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCC[C@H](C4OCCO4)C3)CC2)C1 ZINC000728053698 1076320430 /nfs/dbraw/zinc/32/04/30/1076320430.db2.gz PZUXLUNCFQEZOG-HKUYNNGSSA-N 0 3 407.555 1.568 20 0 HDADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000728140704 1076341651 /nfs/dbraw/zinc/34/16/51/1076341651.db2.gz DPFUYBJCLKZWND-JKSUJKDBSA-N 0 3 406.502 1.837 20 0 HDADHN CC[C@H](CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCc2ccccc2C1 ZINC000728151761 1076348147 /nfs/dbraw/zinc/34/81/47/1076348147.db2.gz DTEJOEKANPANOE-XLIONFOSSA-N 0 3 414.531 1.670 20 0 HDADHN COCCN1CCC[C@@H](NC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 ZINC000729982868 1076407518 /nfs/dbraw/zinc/40/75/18/1076407518.db2.gz ILTSQAVNKQXSET-MRXNPFEDSA-N 0 3 424.505 1.681 20 0 HDADHN O=C(Nc1ccccc1)NC1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000730125441 1076465410 /nfs/dbraw/zinc/46/54/10/1076465410.db2.gz HUFJXEYXFUSHGL-RTBURBONSA-N 0 3 401.511 1.845 20 0 HDADHN COC(=O)C1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000730212895 1076478376 /nfs/dbraw/zinc/47/83/76/1076478376.db2.gz HYGSDFVRBUBAFY-MRXNPFEDSA-N 0 3 405.470 1.570 20 0 HDADHN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)n(C)c2)C1 ZINC000730216912 1076479100 /nfs/dbraw/zinc/47/91/00/1076479100.db2.gz VZHYRHMWRPDODJ-BRWVUGGUSA-N 0 3 424.567 1.039 20 0 HDADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000730217333 1076479529 /nfs/dbraw/zinc/47/95/29/1076479529.db2.gz JICGYLBVTMOADM-OAHLLOKOSA-N 0 3 407.486 1.911 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000730218194 1076480571 /nfs/dbraw/zinc/48/05/71/1076480571.db2.gz FURZYZRFDVKBCG-RDTXWAMCSA-N 0 3 402.470 1.119 20 0 HDADHN CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000730219207 1076480582 /nfs/dbraw/zinc/48/05/82/1076480582.db2.gz WKPHYIYBTPSJHC-CABCVRRESA-N 0 3 412.556 1.237 20 0 HDADHN C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000730265911 1076506835 /nfs/dbraw/zinc/50/68/35/1076506835.db2.gz UPIHBFGQDGUNNW-ZMSDIMECSA-N 0 3 410.559 1.724 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000730381827 1076553190 /nfs/dbraw/zinc/55/31/90/1076553190.db2.gz AAVGWNMXDZWBBS-IAGOWNOFSA-N 0 3 422.551 1.846 20 0 HDADHN CCOC(=O)C1C(CN(C[C@@H](C)O)C(C)C)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000730420290 1076575316 /nfs/dbraw/zinc/57/53/16/1076575316.db2.gz WWPUAMNDNNWQHH-AUUYWEPGSA-N 0 3 405.495 1.958 20 0 HDADHN Cc1nccn1-c1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccn2)cn1 ZINC000730681460 1076637309 /nfs/dbraw/zinc/63/73/09/1076637309.db2.gz IRMNLJNRYLMUJN-UHFFFAOYSA-N 0 3 407.478 1.500 20 0 HDADHN CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000730682395 1076637639 /nfs/dbraw/zinc/63/76/39/1076637639.db2.gz XLIWBMFNSIIDBU-UHFFFAOYSA-N 0 3 411.506 1.447 20 0 HDADHN Cc1cccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C2=O)c1 ZINC000730774130 1076650331 /nfs/dbraw/zinc/65/03/31/1076650331.db2.gz VBAGBIMTXILYSV-FGTMMUONSA-N 0 3 400.479 1.179 20 0 HDADHN NS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000730796722 1076653064 /nfs/dbraw/zinc/65/30/64/1076653064.db2.gz NUUCNMRWGSJBRS-LBPRGKRZSA-N 0 3 416.341 1.797 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)/C(=C\c1cccc(OC)c1)n1nnnc1C ZINC000731007186 1076709324 /nfs/dbraw/zinc/70/93/24/1076709324.db2.gz IQHOVVUHNKIEFO-HNMKQIAWSA-N 0 3 400.483 1.215 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)/C(=C/c1cccc(OC)c1)n1nnnc1C ZINC000731007188 1076709330 /nfs/dbraw/zinc/70/93/30/1076709330.db2.gz IQHOVVUHNKIEFO-NFBGKYEXSA-N 0 3 400.483 1.215 20 0 HDADHN Cc1ccc(C[C@H](CO)NCc2ccccc2S(=O)(=O)N2CCOCC2)cc1 ZINC000466892025 1126093534 /nfs/dbraw/zinc/09/35/34/1126093534.db2.gz NNWBNVYVLYBHKF-HXUWFJFHSA-N 0 3 404.532 1.709 20 0 HDADHN Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@@H]4NCCO[C@H]4C3)c2c1C ZINC001164389413 718824684 /nfs/dbraw/zinc/82/46/84/718824684.db2.gz IGMMMGAYMIJRQY-HOTGVXAUSA-N 0 3 403.552 1.707 20 0 HDADHN O=C1NCCN(c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)C12CNC2 ZINC001164412249 718879033 /nfs/dbraw/zinc/87/90/33/718879033.db2.gz UTJONWIFKLOWEC-UHFFFAOYSA-N 0 3 412.563 1.444 20 0 HDADHN O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(c3ncccc3CN3CCCC3)C[C@H]21 ZINC001164698276 719884978 /nfs/dbraw/zinc/88/49/78/719884978.db2.gz FAPOSXFYSGCNDI-GUDVDZBRSA-N 0 3 408.506 1.805 20 0 HDADHN O=C(N[C@@H]1CN(c2ccc(CN3CCCC3)cn2)C[C@@H]2CCCO[C@@H]12)c1cnccn1 ZINC001164716825 720055012 /nfs/dbraw/zinc/05/50/12/720055012.db2.gz XLUSRWYASIOPGQ-CZTZKLFOSA-N 0 3 422.533 1.881 20 0 HDADHN Cc1nc(N(C)C)cc(N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)n1 ZINC001164826416 720433593 /nfs/dbraw/zinc/43/35/93/720433593.db2.gz WFXQAINTZRVMGH-KRWDZBQOSA-N 0 3 415.542 1.037 20 0 HDADHN COC(=O)c1ccc2cnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2c1 ZINC001164744977 720636221 /nfs/dbraw/zinc/63/62/21/720636221.db2.gz SUKWNPRGQMBZFZ-IRXDYDNUSA-N 0 3 406.446 1.548 20 0 HDADHN CCOC(=O)c1cc2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2[nH]1 ZINC001164737578 720676798 /nfs/dbraw/zinc/67/67/98/720676798.db2.gz GJSIPIMGDBNSNK-CVEARBPZSA-N 0 3 408.462 1.872 20 0 HDADHN COc1cc2ncc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2cc1OC ZINC001164736965 720688441 /nfs/dbraw/zinc/68/84/41/720688441.db2.gz COMOHMKEFGERSJ-LSDHHAIUSA-N 0 3 408.462 1.779 20 0 HDADHN COC(=O)c1cc2c(OC)[nH]c(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)cc-2n1 ZINC001164742658 720690019 /nfs/dbraw/zinc/69/00/19/720690019.db2.gz WGUCZAYGHJJQKY-KBPBESRZSA-N 0 3 424.461 1.490 20 0 HDADHN COc1cc2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c(OC)c1 ZINC001164738481 720709780 /nfs/dbraw/zinc/70/97/80/720709780.db2.gz JYQPUCBVBUNJOK-ZBFHGGJFSA-N 0 3 408.462 1.779 20 0 HDADHN CCOC(=O)c1nc2ccn(C)c2c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164738914 720742900 /nfs/dbraw/zinc/74/29/00/720742900.db2.gz GZCWQWRRJJCSPE-LSDHHAIUSA-N 0 3 423.477 1.277 20 0 HDADHN CN1CCOc2c(Cl)nnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c21 ZINC001164872216 721131160 /nfs/dbraw/zinc/13/11/60/721131160.db2.gz GYEFNIKBJQAPHU-CVEARBPZSA-N 0 3 416.913 1.833 20 0 HDADHN c1cncc(CO[C@H]2C[C@H]3CN(c4cc(N5CCSCC5)ncn4)CCN3C2)c1 ZINC001164880984 721170250 /nfs/dbraw/zinc/17/02/50/721170250.db2.gz YOQQMWAOYIXYFW-OALUTQOASA-N 0 3 412.563 1.905 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)nc1 ZINC001164769447 721195909 /nfs/dbraw/zinc/19/59/09/721195909.db2.gz MMIWJAFYROAKEQ-IAGOWNOFSA-N 0 3 404.540 1.024 20 0 HDADHN CCNS(=O)(=O)c1ccc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)nc1 ZINC001164771511 721198229 /nfs/dbraw/zinc/19/82/29/721198229.db2.gz QTEIFEGWGVKETG-IAGOWNOFSA-N 0 3 404.540 1.072 20 0 HDADHN O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ncccc1CN1CCCC1)c1ccnnc1 ZINC001164878580 721324319 /nfs/dbraw/zinc/32/43/19/721324319.db2.gz PBROPXDMVIUKOY-DZFGPLHGSA-N 0 3 422.533 1.881 20 0 HDADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc5c4NC(=O)CO5)C3)O2)CC1 ZINC001164883873 721414994 /nfs/dbraw/zinc/41/49/94/721414994.db2.gz CEBUCVMLHKAGRL-IIBYNOLFSA-N 0 3 401.511 1.178 20 0 HDADHN CNS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164906899 721552295 /nfs/dbraw/zinc/55/22/95/721552295.db2.gz LJQBAOHGRASTBG-NVXWUHKLSA-N 0 3 406.483 1.471 20 0 HDADHN CNS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164906907 721552312 /nfs/dbraw/zinc/55/23/12/721552312.db2.gz LJQBAOHGRASTBG-WBVHZDCISA-N 0 3 406.483 1.471 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164903133 721552688 /nfs/dbraw/zinc/55/26/88/721552688.db2.gz AVTNRZFURPHTEC-FUHWJXTLSA-N 0 3 420.510 1.813 20 0 HDADHN CN(C)Cc1ccnc(N2Cc3nccn3C[C@@H](COCC(=O)N3CCCC3)C2)c1 ZINC001164902221 721582289 /nfs/dbraw/zinc/58/22/89/721582289.db2.gz DGTLAXAENHVUNH-LJQANCHMSA-N 0 3 412.538 1.615 20 0 HDADHN Cn1cc(C(=O)N[C@@H]2CN(c3ccc(CN4CCCC4)cn3)[C@H]3CCCO[C@H]23)cn1 ZINC001165014355 721757655 /nfs/dbraw/zinc/75/76/55/721757655.db2.gz YVAGAXDIJABWRO-SVFBPWRDSA-N 0 3 410.522 1.577 20 0 HDADHN Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4ccc(CN5CCCC5)cn4)CC[C@@H]32)cn1 ZINC001164956469 722031907 /nfs/dbraw/zinc/03/19/07/722031907.db2.gz GULQAOHHIRXBIQ-HKBOAZHASA-N 0 3 424.549 1.682 20 0 HDADHN CN(Cc1ccc(N2C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)nc1)C1CC1 ZINC001164973625 722093591 /nfs/dbraw/zinc/09/35/91/722093591.db2.gz BHDQDHCRPDHIFP-NLWGTHIKSA-N 0 3 410.522 1.576 20 0 HDADHN NC(=O)c1cnc(Cl)cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981785 722102914 /nfs/dbraw/zinc/10/29/14/722102914.db2.gz MKSKVSYODNMXRR-CRAIPNDOSA-N 0 3 401.898 1.956 20 0 HDADHN O=c1ccccn1-c1nccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984172 722145525 /nfs/dbraw/zinc/14/55/25/722145525.db2.gz VZGLUORVFBXXCA-UXHICEINSA-N 0 3 418.501 1.750 20 0 HDADHN CN1CCN(c2nccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164978905 722149645 /nfs/dbraw/zinc/14/96/45/722149645.db2.gz KRHGRMNBNJXEOD-SFTDATJTSA-N 0 3 423.565 1.351 20 0 HDADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000429044449 1073456936 /nfs/dbraw/zinc/45/69/36/1073456936.db2.gz UIZMCLQOOJSHKV-UGKGYDQZSA-N 0 3 400.523 1.589 20 0 HDADHN COC(=O)C[C@@H]1CN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000429046415 1073462502 /nfs/dbraw/zinc/46/25/02/1073462502.db2.gz NJCJXIBVQAOVHM-RTBURBONSA-N 0 3 405.495 1.251 20 0 HDADHN COC(=O)Cn1cc(CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)nn1 ZINC000429077958 1073518388 /nfs/dbraw/zinc/51/83/88/1073518388.db2.gz WODBKBNMMBQILA-MRXNPFEDSA-N 0 3 420.539 1.785 20 0 HDADHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3ccn(CC(=O)N(C)C)n3)CC2)C[C@@H](C)O1 ZINC000429086274 1073532437 /nfs/dbraw/zinc/53/24/37/1073532437.db2.gz UOKLYQWFQCCSIN-IAGOWNOFSA-N 0 3 420.558 1.715 20 0 HDADHN O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000625183914 1073551624 /nfs/dbraw/zinc/55/16/24/1073551624.db2.gz OWVKDZFYPIKQNZ-GOSISDBHSA-N 0 3 424.501 1.337 20 0 HDADHN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000673668611 1073621659 /nfs/dbraw/zinc/62/16/59/1073621659.db2.gz OLJZJMMYFSLJBY-LJQANCHMSA-N 0 3 421.545 1.693 20 0 HDADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1=O ZINC000673672595 1073626719 /nfs/dbraw/zinc/62/67/19/1073626719.db2.gz GETGBSGCDNICLK-ZBFHGGJFSA-N 0 3 412.456 1.810 20 0 HDADHN Cc1ccc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1S(N)(=O)=O ZINC000673684430 1073639023 /nfs/dbraw/zinc/63/90/23/1073639023.db2.gz QZBRRQDBCSOFGT-FQEVSTJZSA-N 0 3 403.504 1.009 20 0 HDADHN CN(Cc1ccccc1)[C@@H]1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000673715456 1073654292 /nfs/dbraw/zinc/65/42/92/1073654292.db2.gz VVXAIADLRKKQNQ-HXUWFJFHSA-N 0 3 410.518 1.373 20 0 HDADHN CCN1CCN(CCNC(=O)c2ccc(OC)cc2I)CC1 ZINC000509145069 1073731377 /nfs/dbraw/zinc/73/13/77/1073731377.db2.gz XXTKMMXVJMPODS-UHFFFAOYSA-N 0 3 417.291 1.667 20 0 HDADHN CCN1CCN(CCNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000509151820 1073755712 /nfs/dbraw/zinc/75/57/12/1073755712.db2.gz IJQYLKADQMLRSZ-OAHLLOKOSA-N 0 3 409.328 1.629 20 0 HDADHN CCS(=O)(=O)N1CC(CNC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000429141592 1073755847 /nfs/dbraw/zinc/75/58/47/1073755847.db2.gz JYXGUAJRIOOXPQ-LJQANCHMSA-N 0 3 410.584 1.724 20 0 HDADHN CCN1CCN(CCNC(=O)c2cc(I)ccc2C)CC1 ZINC000509156554 1073781654 /nfs/dbraw/zinc/78/16/54/1073781654.db2.gz SCYSCBAFLLTEBY-UHFFFAOYSA-N 0 3 401.292 1.967 20 0 HDADHN CN1CCN(CCCNC(=O)[C@H]2CCCN2c2ncccn2)[C@H](c2ccccc2)C1 ZINC000673830806 1073790319 /nfs/dbraw/zinc/79/03/19/1073790319.db2.gz OEPNDWYCZQYMFZ-RTWAWAEBSA-N 0 3 408.550 1.940 20 0 HDADHN Cn1c2ncn(CCN3CC[C@@H](Sc4cccc(Cl)c4)C3)c2c(=O)n(C)c1=O ZINC000429156151 1073802787 /nfs/dbraw/zinc/80/27/87/1073802787.db2.gz DVXXQMCWAYECQE-OAHLLOKOSA-N 0 3 419.938 1.954 20 0 HDADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000673848312 1073814025 /nfs/dbraw/zinc/81/40/25/1073814025.db2.gz PVTWSPKQFIWJHV-OAHLLOKOSA-N 0 3 422.327 1.622 20 0 HDADHN C[C@@H](N[C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000543497606 1073850033 /nfs/dbraw/zinc/85/00/33/1073850033.db2.gz UKPWQVLBOOMISB-RDTXWAMCSA-N 0 3 424.567 1.678 20 0 HDADHN COc1cc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc(Br)c1[O-] ZINC000673930028 1073903500 /nfs/dbraw/zinc/90/35/00/1073903500.db2.gz DXKJGGQQTOZDNE-PIGZYNQJSA-N 0 3 412.284 1.973 20 0 HDADHN CC[C@@H]1Oc2cc([C@H](C)NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)N4C)ccc2NC1=O ZINC000670438093 1073953024 /nfs/dbraw/zinc/95/30/24/1073953024.db2.gz JQMWBTHJKZAYDW-DNMXQMFDSA-N 0 3 414.506 1.668 20 0 HDADHN CNC(=O)N[C@@H]1CCN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000466568443 1073958626 /nfs/dbraw/zinc/95/86/26/1073958626.db2.gz YAASYWCJPDBTBH-GOSISDBHSA-N 0 3 402.543 1.302 20 0 HDADHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1 ZINC000543532413 1074024951 /nfs/dbraw/zinc/02/49/51/1074024951.db2.gz VOZNVZLFVNDWSG-INIZCTEOSA-N 0 3 412.494 1.209 20 0 HDADHN Nc1ccccc1S(=O)(=O)NCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000670452277 1074048595 /nfs/dbraw/zinc/04/85/95/1074048595.db2.gz JFWGQDJVJGZUQI-UHFFFAOYSA-N 0 3 402.520 1.282 20 0 HDADHN O=S1(=O)C[C@H](N2CCOCC2)[C@H](NCCCc2ccc(C(F)(F)F)cc2)C1 ZINC000674006671 1074054358 /nfs/dbraw/zinc/05/43/58/1074054358.db2.gz YGYLOQLFNJZYKN-SJORKVTESA-N 0 3 406.470 1.725 20 0 HDADHN CN1CCN(Cc2ccc(CNC(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)cc2)CC1 ZINC000429202547 1074076688 /nfs/dbraw/zinc/07/66/88/1074076688.db2.gz ZVYQUDHCQXJKSG-IBGZPJMESA-N 0 3 401.555 1.633 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@](C)(O)CSc1cccc(F)c1 ZINC000509210754 1074133556 /nfs/dbraw/zinc/13/35/56/1074133556.db2.gz LKNDFOIERPEAPV-FXAWDEMLSA-N 0 3 411.543 1.728 20 0 HDADHN C[C@@H](NCC[S@](=O)C(C)(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766055885 1074150194 /nfs/dbraw/zinc/15/01/94/1074150194.db2.gz YFZBWUFVANQIKJ-OZAJXLCCSA-N 0 3 424.610 1.610 20 0 HDADHN O=C(NCc1nnnn1-c1ccccc1)NCc1ccccc1CN1CCC(O)CC1 ZINC000674155527 1074194685 /nfs/dbraw/zinc/19/46/85/1074194685.db2.gz BFQMASUHDIEJDC-UHFFFAOYSA-N 0 3 421.505 1.618 20 0 HDADHN COc1cc(CN2CCN(C(=O)N[C@@H]3CCCN(C)C3)CC2)cc(OC)c1OC ZINC000674148663 1074198626 /nfs/dbraw/zinc/19/86/26/1074198626.db2.gz PPCVXWISYDJJSP-QGZVFWFLSA-N 0 3 406.527 1.634 20 0 HDADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N1CCC[C@H](CCO)C1 ZINC000674205282 1074221299 /nfs/dbraw/zinc/22/12/99/1074221299.db2.gz FBMXJGXVZAIDOW-GOSISDBHSA-N 0 3 405.564 1.837 20 0 HDADHN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000674269491 1074250205 /nfs/dbraw/zinc/25/02/05/1074250205.db2.gz ICTSTMGDTHXCCI-MRXNPFEDSA-N 0 3 402.495 1.326 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 ZINC000674310703 1074268608 /nfs/dbraw/zinc/26/86/08/1074268608.db2.gz JBNZEUTUDUYVTM-GOSISDBHSA-N 0 3 403.523 1.531 20 0 HDADHN COC1CCN(CCNC(=O)[C@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)CC1 ZINC000674311285 1074269530 /nfs/dbraw/zinc/26/95/30/1074269530.db2.gz NCHANZYKOSYTBT-ZDUSSCGKSA-N 0 3 407.540 1.289 20 0 HDADHN COC1CCN(CCNC(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC000674326056 1074274657 /nfs/dbraw/zinc/27/46/57/1074274657.db2.gz YDNHXBMBTXKRHZ-GOSISDBHSA-N 0 3 409.600 1.447 20 0 HDADHN COC1CCN(CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000674324468 1074274771 /nfs/dbraw/zinc/27/47/71/1074274771.db2.gz TZAYONJMSYOOGO-UHFFFAOYSA-N 0 3 409.552 1.314 20 0 HDADHN COC1CCN(CCNC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000674326693 1074276254 /nfs/dbraw/zinc/27/62/54/1074276254.db2.gz KXDMFENRVWKADZ-UHFFFAOYSA-N 0 3 404.511 1.069 20 0 HDADHN COC1CCN(CCNC(=O)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000674327308 1074276828 /nfs/dbraw/zinc/27/68/28/1074276828.db2.gz CRESYCCXMZLSSA-OAHLLOKOSA-N 0 3 412.556 1.408 20 0 HDADHN COc1ccc(-c2cc(C(=O)N3CCN([C@H]4CCC[C@@H]4O)CC3)n[nH]2)cc1OC ZINC000674360668 1074292287 /nfs/dbraw/zinc/29/22/87/1074292287.db2.gz SKGLANWFWOYANL-ROUUACIJSA-N 0 3 400.479 1.765 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1=O ZINC000674437911 1074335660 /nfs/dbraw/zinc/33/56/60/1074335660.db2.gz FKPMTGJBOVXVLR-GCJKJVERSA-N 0 3 413.522 1.624 20 0 HDADHN CCN1C(=O)[C@H]2CN(CCC(=O)Nc3cc(OC)c(Cl)cc3OC)CCN2C1=O ZINC000674500547 1074396016 /nfs/dbraw/zinc/39/60/16/1074396016.db2.gz BCHQDFJZWBJZKO-CQSZACIVSA-N 0 3 424.885 1.654 20 0 HDADHN Cc1ccc([C@@H](CNC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)N2CCCC2)cc1 ZINC001626102709 1074424846 /nfs/dbraw/zinc/42/48/46/1074424846.db2.gz RATZNKBJDCTAHS-GOSISDBHSA-N 0 3 417.535 1.393 20 0 HDADHN CCN1C(=O)[C@@H]2CN(C(=O)[C@@H](C)N3CCC(Cc4ccccc4)CC3)CCN2C1=O ZINC000674543606 1074425473 /nfs/dbraw/zinc/42/54/73/1074425473.db2.gz ARUVBAMFDGYIDA-XLIONFOSSA-N 0 3 412.534 1.825 20 0 HDADHN CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)CCN2C1=O ZINC000674595210 1074474377 /nfs/dbraw/zinc/47/43/77/1074474377.db2.gz TWXGAIZCBYIGEL-WMZOPIPTSA-N 0 3 402.470 1.533 20 0 HDADHN CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CCN(CC3CCCCC3)CC2)C1=O ZINC000674643988 1074502481 /nfs/dbraw/zinc/50/24/81/1074502481.db2.gz PRMKSXMEEWWILY-DYESRHJHSA-N 0 3 405.543 1.614 20 0 HDADHN C[C@H](C(=O)Nc1cnccc1N1CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674657482 1074504900 /nfs/dbraw/zinc/50/49/00/1074504900.db2.gz OSTYFQWVEWCKDT-HNNXBMFYSA-N 0 3 402.520 1.979 20 0 HDADHN Cn1cncc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3nc[nH]c31)C2 ZINC001005454099 1074507550 /nfs/dbraw/zinc/50/75/50/1074507550.db2.gz WQGPLMVMYHXELY-NHQZAOEJSA-N 0 3 404.474 1.962 20 0 HDADHN C[C@H](C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000674668986 1074519863 /nfs/dbraw/zinc/51/98/63/1074519863.db2.gz IGIGGPNUVQDDHR-YJBOKZPZSA-N 0 3 409.552 1.253 20 0 HDADHN Cc1ccc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)cc1S(N)(=O)=O ZINC000674756686 1074549493 /nfs/dbraw/zinc/54/94/93/1074549493.db2.gz LNQYTALRBOIFJE-UHFFFAOYSA-N 0 3 403.504 1.851 20 0 HDADHN CCN1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)C1 ZINC000674898639 1074605552 /nfs/dbraw/zinc/60/55/52/1074605552.db2.gz RZZCSFRBUGCBBL-IFXJQAMLSA-N 0 3 410.474 1.973 20 0 HDADHN Cc1c(C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000674948380 1074634856 /nfs/dbraw/zinc/63/48/56/1074634856.db2.gz TZBSFHGGHQXJMD-VQTJNVASSA-N 0 3 411.506 1.584 20 0 HDADHN O=C(NCc1ccccc1CN1CCC(O)CC1)N1CCC(OCCCO)CC1 ZINC000674986619 1074661222 /nfs/dbraw/zinc/66/12/22/1074661222.db2.gz SSSULONAKSUPMK-UHFFFAOYSA-N 0 3 405.539 1.716 20 0 HDADHN C[C@@H]1C[C@H](NC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CN1Cc1ccccc1 ZINC000675106249 1074721409 /nfs/dbraw/zinc/72/14/09/1074721409.db2.gz PNIFNAYLEMCVJX-JMVFIXPQSA-N 0 3 410.522 1.876 20 0 HDADHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CN1Cc1ccccc1 ZINC000675106251 1074721636 /nfs/dbraw/zinc/72/16/36/1074721636.db2.gz PNIFNAYLEMCVJX-ZTRFORPCSA-N 0 3 410.522 1.876 20 0 HDADHN O=C(NCCCCN1CCN(CCO)CC1)Nc1cc(-c2cccc(F)c2)on1 ZINC000565815191 1074721980 /nfs/dbraw/zinc/72/19/80/1074721980.db2.gz PFYNTBPPTOQWSK-UHFFFAOYSA-N 0 3 405.474 1.992 20 0 HDADHN O=C(NCCCCN1CCN(CCO)CC1)Nc1cc(-c2cccc(Cl)c2)on1 ZINC000557600248 1074722225 /nfs/dbraw/zinc/72/22/25/1074722225.db2.gz FERMMANBRFUBJX-UHFFFAOYSA-N 0 3 421.929 2.507 20 0 HDADHN O=C(NCCCCN1CCN(c2ccccc2)CC1)C(=O)Nc1cc2n(n1)CCCC2 ZINC000497760549 1074722544 /nfs/dbraw/zinc/72/25/44/1074722544.db2.gz ZUPSNTDQMXKPDY-UHFFFAOYSA-N 0 3 424.549 1.877 20 0 HDADHN C[C@H]1C[C@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)CN1Cc1ccccc1 ZINC000675147314 1074744348 /nfs/dbraw/zinc/74/43/48/1074744348.db2.gz RARIGLAKRFWASQ-RDJZCZTQSA-N 0 3 403.504 1.492 20 0 HDADHN Cc1cc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)nn1C1CCCCC1 ZINC000571454383 1074746581 /nfs/dbraw/zinc/74/65/81/1074746581.db2.gz HBQAABBZTBBHRO-UHFFFAOYSA-N 0 3 404.559 1.777 20 0 HDADHN C[C@H](NC[C@H](O)c1ccsc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766109858 1074816933 /nfs/dbraw/zinc/81/69/33/1074816933.db2.gz PXYZATRRZZUXID-LRDDRELGSA-N 0 3 418.562 1.858 20 0 HDADHN CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000675367963 1074822195 /nfs/dbraw/zinc/82/21/95/1074822195.db2.gz GOIRDTCNULOQAA-CYBMUJFWSA-N 0 3 401.294 1.235 20 0 HDADHN COCCN1CCC(NC(=O)C(=O)N2CCC3(CC2)OCCc2ccsc23)CC1 ZINC000477652048 1075099059 /nfs/dbraw/zinc/09/90/59/1075099059.db2.gz KPRSKBYQSANUFG-UHFFFAOYSA-N 0 3 421.563 1.366 20 0 HDADHN CC(C)S(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000467682753 1075102966 /nfs/dbraw/zinc/10/29/66/1075102966.db2.gz RBIRXCWOERSLHR-MSOLQXFVSA-N 0 3 407.536 1.643 20 0 HDADHN COCCN1CCC(NC(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000670514220 1075119984 /nfs/dbraw/zinc/11/99/84/1075119984.db2.gz PMJDLOLBLUODPA-UHFFFAOYSA-N 0 3 401.429 1.591 20 0 HDADHN COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2ncn(C3CCCCC3)n2)CC1 ZINC000543522247 1075124391 /nfs/dbraw/zinc/12/43/91/1075124391.db2.gz UZEXDQWEKZMLSV-UHFFFAOYSA-N 0 3 406.531 1.727 20 0 HDADHN C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)n1 ZINC000675403616 1075128970 /nfs/dbraw/zinc/12/89/70/1075128970.db2.gz NCMGPWXFQFCEMU-ZWKOTPCHSA-N 0 3 412.538 1.431 20 0 HDADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)C[C@H]3CCOC3)cc2)CC1 ZINC000675409906 1075135261 /nfs/dbraw/zinc/13/52/61/1075135261.db2.gz QHRCJBRYJWHNSM-PKOBYXMFSA-N 0 3 402.539 1.694 20 0 HDADHN COCCN1CCC(NC(=O)Nc2ccc(C(=O)NCCC(=O)OC)cc2)CC1 ZINC000143808995 1075147022 /nfs/dbraw/zinc/14/70/22/1075147022.db2.gz QICTXQPUTUUTCQ-UHFFFAOYSA-N 0 3 406.483 1.212 20 0 HDADHN O=C(Nc1ccn(-c2ccccc2)n1)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000463992216 1075157299 /nfs/dbraw/zinc/15/72/99/1075157299.db2.gz FMYDBZVSORHISS-IBGZPJMESA-N 0 3 405.458 2.016 20 0 HDADHN COc1ccc(S(=O)(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1C(N)=O ZINC000675469062 1075163661 /nfs/dbraw/zinc/16/36/61/1075163661.db2.gz CHDQHNXSWUGGPB-ZDUSSCGKSA-N 0 3 405.476 1.312 20 0 HDADHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c2ccccc2O1 ZINC000675470798 1075167560 /nfs/dbraw/zinc/16/75/60/1075167560.db2.gz FWVSLPZVWCAUDI-AWEZNQCLSA-N 0 3 416.503 1.395 20 0 HDADHN O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000463975972 1075175723 /nfs/dbraw/zinc/17/57/23/1075175723.db2.gz WINGWPDEHXZNAJ-CQSZACIVSA-N 0 3 411.384 1.589 20 0 HDADHN O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000463975971 1075175765 /nfs/dbraw/zinc/17/57/65/1075175765.db2.gz WINGWPDEHXZNAJ-AWEZNQCLSA-N 0 3 411.384 1.589 20 0 HDADHN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000675536862 1075194215 /nfs/dbraw/zinc/19/42/15/1075194215.db2.gz LXELNUGUBHKVRJ-MAUKXSAKSA-N 0 3 409.552 1.747 20 0 HDADHN CCOc1ccccc1N1C[C@H](C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1=O ZINC000675536891 1075194611 /nfs/dbraw/zinc/19/46/11/1075194611.db2.gz NROZRFLGEIAPTM-SJLPKXTDSA-N 0 3 401.507 1.808 20 0 HDADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)NC1CCN([C@@H]3CCOC3)CC1)C2=O ZINC000675538009 1075194961 /nfs/dbraw/zinc/19/49/61/1075194961.db2.gz OTSIXHNQCHOKEC-FIWNRLKKSA-N 0 3 406.527 1.247 20 0 HDADHN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000675539162 1075195645 /nfs/dbraw/zinc/19/56/45/1075195645.db2.gz XYURIETUORCIJA-GOSISDBHSA-N 0 3 409.552 1.699 20 0 HDADHN O=C(CCNC(=O)c1ccc(Br)cc1)NC1CCN([C@H]2CCOC2)CC1 ZINC000675539028 1075195992 /nfs/dbraw/zinc/19/59/92/1075195992.db2.gz RKPAMJQWGWYDHF-KRWDZBQOSA-N 0 3 424.339 1.939 20 0 HDADHN CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000078497586 1075201338 /nfs/dbraw/zinc/20/13/38/1075201338.db2.gz ZDWKSPSMCVFBHL-UHFFFAOYSA-N 0 3 405.458 2.514 20 0 HDADHN CN(C(=O)CCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000675579658 1075211475 /nfs/dbraw/zinc/21/14/75/1075211475.db2.gz QAWQMNLZNVPSHR-IBGZPJMESA-N 0 3 401.532 2.000 20 0 HDADHN COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 ZINC000675593096 1075230751 /nfs/dbraw/zinc/23/07/51/1075230751.db2.gz SCGUFIWGTKGIMB-KRWDZBQOSA-N 0 3 407.515 1.006 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC(C(=O)Nc3cc(C)on3)CC2)CC1 ZINC000466115446 1075232386 /nfs/dbraw/zinc/23/23/86/1075232386.db2.gz LFDFDZUBQHWVSJ-MRXNPFEDSA-N 0 3 420.558 1.617 20 0 HDADHN CN(C)C1(CNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)Cc2ccccc2C1 ZINC000675595238 1075232747 /nfs/dbraw/zinc/23/27/47/1075232747.db2.gz LDKCCYYLBXZRTB-IBGZPJMESA-N 0 3 411.506 1.216 20 0 HDADHN COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)n1 ZINC000443842696 1075247314 /nfs/dbraw/zinc/24/73/14/1075247314.db2.gz MWAONOFJEDJSII-TXPKVOOTSA-N 0 3 401.511 2.145 20 0 HDADHN CCc1noc(COCC(=O)NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)n1 ZINC001129048858 1075261282 /nfs/dbraw/zinc/26/12/82/1075261282.db2.gz DHTXTRYVHAYPOY-UHFFFAOYSA-N 0 3 415.494 1.888 20 0 HDADHN COc1cc(CN[C@@H](C)c2cccc(-n3cnnn3)c2)ccc1OCC(=O)N(C)C ZINC000675775497 1075269457 /nfs/dbraw/zinc/26/94/57/1075269457.db2.gz UATAJTWXUIHLBJ-HNNXBMFYSA-N 0 3 410.478 1.989 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cccc(CN3CCCC3=O)c2)CC1 ZINC000675837901 1075280769 /nfs/dbraw/zinc/28/07/69/1075280769.db2.gz XTGQHZLTYWJHPT-LJQANCHMSA-N 0 3 413.522 1.579 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)COCc2nc3ccccc3s2)CC1 ZINC000675916347 1075290728 /nfs/dbraw/zinc/29/07/28/1075290728.db2.gz GYDIZQNKGGULNM-MRXNPFEDSA-N 0 3 402.520 1.578 20 0 HDADHN CN(C)[C@H]1Cc2ccccc2N(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 ZINC000731465421 1075357247 /nfs/dbraw/zinc/35/72/47/1075357247.db2.gz JDRDDJFJWNGMIL-FQEVSTJZSA-N 0 3 418.497 1.578 20 0 HDADHN Cc1c(C(=O)N2CCC[C@H](C3OCCO3)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000731474048 1075359599 /nfs/dbraw/zinc/35/95/99/1075359599.db2.gz JOVXMSPWNKPLBR-KRWDZBQOSA-N 0 3 411.506 1.789 20 0 HDADHN Cc1c(C(=O)N2CCC[C@@H](C3OCCO3)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000731474049 1075359681 /nfs/dbraw/zinc/35/96/81/1075359681.db2.gz JOVXMSPWNKPLBR-QGZVFWFLSA-N 0 3 411.506 1.789 20 0 HDADHN Cc1c(C(=O)NCC2N=NC(=S)N2C2CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000731475223 1075360626 /nfs/dbraw/zinc/36/06/26/1075360626.db2.gz OFIJNBOLRHPLKK-UHFFFAOYSA-N 0 3 424.534 1.709 20 0 HDADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000804093453 1075393301 /nfs/dbraw/zinc/39/33/01/1075393301.db2.gz NTPOAZHGEQSYIZ-YESZJQIVSA-N 0 3 410.559 1.929 20 0 HDADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000804093440 1075393321 /nfs/dbraw/zinc/39/33/21/1075393321.db2.gz NTPOAZHGEQSYIZ-IXDOHACOSA-N 0 3 410.559 1.929 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)c2ccccc2O1 ZINC000676190524 1075420511 /nfs/dbraw/zinc/42/05/11/1075420511.db2.gz PNSFJIZGKNJYMA-AOMKIAJQSA-N 0 3 408.458 1.711 20 0 HDADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(F)cc2OC2CCCC2)CC1 ZINC000676264010 1075462353 /nfs/dbraw/zinc/46/23/53/1075462353.db2.gz QQSALUQLRHDHMR-UHFFFAOYSA-N 0 3 406.502 1.839 20 0 HDADHN CC[C@H](C)N[C@@H](CNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccco1 ZINC000558374309 1075485754 /nfs/dbraw/zinc/48/57/54/1075485754.db2.gz VDMLYBBJWNXILP-HOTGVXAUSA-N 0 3 418.498 1.586 20 0 HDADHN C[C@@H](NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1)[C@@H]1CN(C)CCO1 ZINC000676307439 1075493130 /nfs/dbraw/zinc/49/31/30/1075493130.db2.gz PLJXRZFGZPFRJY-CTNGQTDRSA-N 0 3 403.571 1.165 20 0 HDADHN COC(=O)c1ccsc1N1CC[C@H](N2CCC(N3CCO[C@H](C)C3)CC2)C1=O ZINC000466726076 1075493953 /nfs/dbraw/zinc/49/39/53/1075493953.db2.gz DMBSZIQIWCCHAU-PBHICJAKSA-N 0 3 407.536 1.825 20 0 HDADHN CC1CCN([C@@H](CNC(=O)N2CCN(CC(=O)N(C)C)CC2)c2cccs2)CC1 ZINC000676290288 1075494790 /nfs/dbraw/zinc/49/47/90/1075494790.db2.gz WWCPERDBVXXMOJ-SFHVURJKSA-N 0 3 421.611 1.937 20 0 HDADHN C[C@H](NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)[C@H]1CN(C)CCO1 ZINC000676296250 1075499303 /nfs/dbraw/zinc/49/93/03/1075499303.db2.gz LRONQGJWLVLQOI-SMDDNHRTSA-N 0 3 423.315 1.753 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000543669892 1075510464 /nfs/dbraw/zinc/51/04/64/1075510464.db2.gz LMFKADVDVGZZRN-ZCNNSNEGSA-N 0 3 418.513 1.994 20 0 HDADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000731754702 1075511886 /nfs/dbraw/zinc/51/18/86/1075511886.db2.gz AHUBOKSWIZLKOA-CABCVRRESA-N 0 3 412.487 1.350 20 0 HDADHN O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676341651 1075515175 /nfs/dbraw/zinc/51/51/75/1075515175.db2.gz BWXIVRZTGJOBDD-CQSZACIVSA-N 0 3 417.478 1.003 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000676344617 1075518421 /nfs/dbraw/zinc/51/84/21/1075518421.db2.gz PXEVCHQMPFUGSN-IBGZPJMESA-N 0 3 421.563 1.844 20 0 HDADHN CS(=O)(=O)Nc1cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)ccc1Cl ZINC000676344605 1075518721 /nfs/dbraw/zinc/51/87/21/1075518721.db2.gz FVUIMISYSIPYNA-CQSZACIVSA-N 0 3 401.916 1.695 20 0 HDADHN COc1ccc([C@@H]2[C@@H](C(=O)NC3CCN([C@@H]4CCOC4)CC3)CCC(=O)N2C)cc1 ZINC000676345880 1075519084 /nfs/dbraw/zinc/51/90/84/1075519084.db2.gz WESJRVXOHPCERK-KAGYGMCKSA-N 0 3 415.534 1.974 20 0 HDADHN O=C(CCNC(=O)N1CCc2ccccc2C1)NC1CCN([C@H]2CCOC2)CC1 ZINC000676345847 1075519182 /nfs/dbraw/zinc/51/91/82/1075519182.db2.gz VDOPLGJENLDBLK-FQEVSTJZSA-N 0 3 400.523 1.514 20 0 HDADHN COc1cc(CN[C@@H]2CC(=O)N3CCCC[C@H]23)ccc1OCC(=O)N1CCCC1 ZINC000509408811 1075528854 /nfs/dbraw/zinc/52/88/54/1075528854.db2.gz BMFWWSMUMWKZIB-QZTJIDSGSA-N 0 3 401.507 1.939 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1S(=O)(=O)N1CCCCC1 ZINC000676392353 1075541106 /nfs/dbraw/zinc/54/11/06/1075541106.db2.gz FJUOBHWMGWHNNK-GOSISDBHSA-N 0 3 421.563 1.844 20 0 HDADHN O=C(CCN1C(=O)CCNC1=S)NCCNC(c1ccccc1)c1ccccc1 ZINC001649126747 1075561849 /nfs/dbraw/zinc/56/18/49/1075561849.db2.gz HJDAIHVZVYPSAN-UHFFFAOYSA-N 0 3 410.543 1.979 20 0 HDADHN CN(C(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCN(C2CC2)C1 ZINC000731952294 1075573489 /nfs/dbraw/zinc/57/34/89/1075573489.db2.gz RSEPZQWDDJGIHP-KRWDZBQOSA-N 0 3 424.592 1.573 20 0 HDADHN CN(C(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000731952295 1075573579 /nfs/dbraw/zinc/57/35/79/1075573579.db2.gz RSEPZQWDDJGIHP-QGZVFWFLSA-N 0 3 424.592 1.573 20 0 HDADHN CC(C)(C)OC(=O)Nc1ncc(CN[C@H]2CCN(CCN3CCOCC3)C2)s1 ZINC000800239577 1075575688 /nfs/dbraw/zinc/57/56/88/1075575688.db2.gz SCWAMHDPRZPQAE-HNNXBMFYSA-N 0 3 411.572 1.986 20 0 HDADHN CN(C)C1(CNC(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)Cc2ccccc2C1 ZINC000676552849 1075586193 /nfs/dbraw/zinc/58/61/93/1075586193.db2.gz YVLPIEDEZFKMEK-UHFFFAOYSA-N 0 3 418.501 1.480 20 0 HDADHN COC(=O)c1cc(C(=O)NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)no1 ZINC001273248016 1075623959 /nfs/dbraw/zinc/62/39/59/1075623959.db2.gz XPQGELIWYJGINW-UHFFFAOYSA-N 0 3 400.435 1.814 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)Cc3c(C)nc4nc(N)nn4c3C)c(C)c2)CC1 ZINC000029376013 1075696085 /nfs/dbraw/zinc/69/60/85/1075696085.db2.gz PLZDXMYSOOWBKQ-UHFFFAOYSA-N 0 3 422.537 1.955 20 0 HDADHN CCCN1CCN(c2ccccc2CN2CCN(c3nc(N)ns3)CC2)CC1 ZINC000539912241 1075700930 /nfs/dbraw/zinc/70/09/30/1075700930.db2.gz XTAVQLUOSUHUIK-UHFFFAOYSA-N 0 3 401.584 1.975 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1cc(-c2cccc(F)c2)on1 ZINC000448095282 1075714026 /nfs/dbraw/zinc/71/40/26/1075714026.db2.gz VFJLNBADNWEANV-INIZCTEOSA-N 0 3 403.458 2.545 20 0 HDADHN Cn1nc(NC(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc1C1CC1 ZINC000568614150 1075728141 /nfs/dbraw/zinc/72/81/41/1075728141.db2.gz HUSABAJGCBTWQT-HXUWFJFHSA-N 0 3 424.549 1.731 20 0 HDADHN Cc1ccc(S(=O)(=O)NCC(=O)N(CCN(C)C)Cc2cccc(O)c2)cc1 ZINC001545678234 1075730621 /nfs/dbraw/zinc/73/06/21/1075730621.db2.gz XAYLASAOUWLTRZ-UHFFFAOYSA-N 0 3 405.520 1.569 20 0 HDADHN Cc1ccc(CNC(=O)c2nnc(CSc3nnnn3CCN(C)C)s2)cc1 ZINC000466640322 1075741003 /nfs/dbraw/zinc/74/10/03/1075741003.db2.gz HMDRUOYMDVQFBB-UHFFFAOYSA-N 0 3 418.552 1.617 20 0 HDADHN CN(C)[C@@H](CNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)Cc1ccccc1 ZINC000429051800 1075748349 /nfs/dbraw/zinc/74/83/49/1075748349.db2.gz AYQDWXWQZPZIAK-OAHLLOKOSA-N 0 3 410.478 1.671 20 0 HDADHN CCCCNS(=O)(=O)c1cccc(NC(=O)NC[C@@H]2CCCN2CCOC)c1 ZINC000732467253 1075754108 /nfs/dbraw/zinc/75/41/08/1075754108.db2.gz TVQRKHHPSHRQGD-KRWDZBQOSA-N 0 3 412.556 1.997 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCN2c3ccccc3C[C@H]2C)CC1 ZINC000509446166 1075759006 /nfs/dbraw/zinc/75/90/06/1075759006.db2.gz FBESBHNUIFSPLN-GOSISDBHSA-N 0 3 401.555 1.633 20 0 HDADHN CN(CCCN(C)C(=O)Nc1ccn(CCN2CCOCC2)n1)Cc1ccco1 ZINC000581241884 1075759273 /nfs/dbraw/zinc/75/92/73/1075759273.db2.gz RSLRNQDZCOKZEZ-UHFFFAOYSA-N 0 3 404.515 1.794 20 0 HDADHN CCc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1CC ZINC000487783596 1075804072 /nfs/dbraw/zinc/80/40/72/1075804072.db2.gz LFZXKGFVMZCACE-IBGZPJMESA-N 0 3 400.523 1.515 20 0 HDADHN C[C@@H]1CN(C[C@H](O)CN(CCO)Cc2cccc(Br)c2)C[C@H](C)O1 ZINC000488195577 1075806524 /nfs/dbraw/zinc/80/65/24/1075806524.db2.gz FPFLMTHFBIHHRQ-RVKKMQEKSA-N 0 3 401.345 1.714 20 0 HDADHN C[C@H]1CN(CCC2CCN(C(=O)C(=O)Nc3cc4n(n3)CCCC4)CC2)C[C@H](C)O1 ZINC000498961125 1075808678 /nfs/dbraw/zinc/80/86/78/1075808678.db2.gz GROLSYDABXARCI-IRXDYDNUSA-N 0 3 417.554 1.896 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CC1 ZINC000732658865 1075819165 /nfs/dbraw/zinc/81/91/65/1075819165.db2.gz CYFGFPMCVRMKIY-MSOLQXFVSA-N 0 3 406.433 1.399 20 0 HDADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@H]3c3nc(C)no3)c2)CC1 ZINC000509286231 1075835870 /nfs/dbraw/zinc/83/58/70/1075835870.db2.gz LEYVLZDDBYRJJM-SFHVURJKSA-N 0 3 412.494 1.822 20 0 HDADHN COC(=O)CCSc1cccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000611130236 1075847613 /nfs/dbraw/zinc/84/76/13/1075847613.db2.gz LHGBUALQRASWFR-MRXNPFEDSA-N 0 3 405.520 1.881 20 0 HDADHN C[NH+](C)CCN1C[C@H](C(=O)Nc2cc(I)ccc2[O-])CC1=O ZINC000611156454 1075860247 /nfs/dbraw/zinc/86/02/47/1075860247.db2.gz HPRCDLCKZXZJAH-SNVBAGLBSA-N 0 3 417.247 1.345 20 0 HDADHN CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000611154045 1075863533 /nfs/dbraw/zinc/86/35/33/1075863533.db2.gz LARCKYCVLOAEAX-GOSISDBHSA-N 0 3 407.580 1.893 20 0 HDADHN COC(=O)c1cccc(CS(=O)(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)c1 ZINC000611167739 1075866020 /nfs/dbraw/zinc/86/60/20/1075866020.db2.gz NKQYFKRJXRPOER-UHFFFAOYSA-N 0 3 423.579 1.793 20 0 HDADHN CS[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)=O)cc2)C[C@H]1N(C)C ZINC000611217257 1075878374 /nfs/dbraw/zinc/87/83/74/1075878374.db2.gz ZYQGYFAQBWFHOB-VUCTXSBTSA-N 0 3 413.565 1.060 20 0 HDADHN COC(=O)c1cncc(NC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)c1 ZINC000611229341 1075882431 /nfs/dbraw/zinc/88/24/31/1075882431.db2.gz NZNAGPXZVXFLET-UHFFFAOYSA-N 0 3 406.446 1.998 20 0 HDADHN CC(C)[C@H]1CN(C(=O)c2cccc(C(=O)N3CCN(C)[C@@H](C(C)C)C3)n2)CCN1C ZINC000489366523 1075882834 /nfs/dbraw/zinc/88/28/34/1075882834.db2.gz KHRKLWHVNSFYGP-NHCUHLMSSA-N 0 3 415.582 1.906 20 0 HDADHN COC(=O)C(C)(C)[C@@H]1CCCN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000611321435 1075900087 /nfs/dbraw/zinc/90/00/87/1075900087.db2.gz PBQXPNUMWUNDRU-SJORKVTESA-N 0 3 403.479 1.775 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc(Cl)nc(N3CCCC3)c2)CC1 ZINC000732958965 1075932181 /nfs/dbraw/zinc/93/21/81/1075932181.db2.gz RYUWBJPZGQOQGQ-UHFFFAOYSA-N 0 3 407.946 1.961 20 0 HDADHN CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000732981510 1075936137 /nfs/dbraw/zinc/93/61/37/1075936137.db2.gz AEIUDLHODGDSGD-IBGZPJMESA-N 0 3 402.539 1.930 20 0 HDADHN COC(=O)c1csc(NC(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)c1C ZINC000611457748 1075940373 /nfs/dbraw/zinc/94/03/73/1075940373.db2.gz HHMSQAAOHLUGSB-UHFFFAOYSA-N 0 3 411.524 1.787 20 0 HDADHN Cc1cc(NC(=O)C(=O)NCCN2CCCCCC2)ccc1N1C(=O)CCC1=O ZINC000733046436 1075952456 /nfs/dbraw/zinc/95/24/56/1075952456.db2.gz SRGXYDGSGZPNLN-UHFFFAOYSA-N 0 3 400.479 1.579 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000733158363 1075991395 /nfs/dbraw/zinc/99/13/95/1075991395.db2.gz IIDXZKNKASDOLU-CJNGLKHVSA-N 0 3 408.490 1.734 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000733158362 1075991490 /nfs/dbraw/zinc/99/14/90/1075991490.db2.gz IIDXZKNKASDOLU-BBRMVZONSA-N 0 3 408.490 1.734 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)CN2C(=S)N=NC2c2cccc(C)c2)CC1 ZINC000733158115 1075992194 /nfs/dbraw/zinc/99/21/94/1075992194.db2.gz DDQKHHKDYRBCTA-INIZCTEOSA-N 0 3 402.568 1.684 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)/C(=C/c2cccc(OC)c2)n2nnnc2C)CC1 ZINC000733159859 1075992593 /nfs/dbraw/zinc/99/25/93/1075992593.db2.gz YHGFYCKYFRXVRB-ZHTGWBIJSA-N 0 3 413.526 1.130 20 0 HDADHN CCN1CCN(CCNC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)CC1 ZINC000733161849 1075994247 /nfs/dbraw/zinc/99/42/47/1075994247.db2.gz KAGZAGRLCFSEHL-UHFFFAOYSA-N 0 3 414.547 1.222 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)CC1 ZINC000733161974 1075994663 /nfs/dbraw/zinc/99/46/63/1075994663.db2.gz OEMKZWLXIANQTJ-SJPXOZHESA-N 0 3 401.490 1.261 20 0 HDADHN C[C@@H]1CN(C[C@H](O)CN[C@@](C)(CO)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000511564238 1075995211 /nfs/dbraw/zinc/99/52/11/1075995211.db2.gz PWQRXLWURYRZPO-DTDBQYNISA-N 0 3 401.345 1.716 20 0 HDADHN CO[C@@H]1CN(CCCc2cccc(C)c2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001081973609 1076021409 /nfs/dbraw/zinc/02/14/09/1076021409.db2.gz PTSDXCGOWRGOPW-VNXMGFANSA-N 0 3 402.535 1.795 20 0 HDADHN CN(CC(=O)N1CCC2(CC1)OCCO2)C1CCN(C(=O)c2ccccc2)CC1 ZINC000733310251 1076036405 /nfs/dbraw/zinc/03/64/05/1076036405.db2.gz PPYCDHHBAFOVTO-UHFFFAOYSA-N 0 3 401.507 1.589 20 0 HDADHN CCS(=O)(=O)c1ccc(CN[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2C)cc1 ZINC001082652070 1076061334 /nfs/dbraw/zinc/06/13/34/1076061334.db2.gz CXGAFMAMKSTCCR-GAQVFZABSA-N 0 3 418.559 1.840 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN3CCC[C@H](CCC(N)=O)C3)cc2)CC1 ZINC000727158522 1076071495 /nfs/dbraw/zinc/07/14/95/1076071495.db2.gz TUIQMBFAFVWFSK-GOSISDBHSA-N 0 3 401.555 1.745 20 0 HDADHN O=C(OCCCN1C(=O)CNC1=O)C1CCN(c2ccccc2Br)C1=O ZINC000733455052 1076073192 /nfs/dbraw/zinc/07/31/92/1076073192.db2.gz LMKCVQTWGAPJJC-LLVKDONJSA-N 0 3 424.251 1.287 20 0 HDADHN COC(=O)CCCc1nc(COC(=O)C2CCN(c3ccc(F)cc3)C2=O)no1 ZINC000733463557 1076081839 /nfs/dbraw/zinc/08/18/39/1076081839.db2.gz MPRGFSAEKZPMIO-CQSZACIVSA-N 0 3 405.382 1.801 20 0 HDADHN O=C(Nc1cc2c(cc1Br)OCCO2)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000727232049 1076085721 /nfs/dbraw/zinc/08/57/21/1076085721.db2.gz VTIBSAUBVYQUSI-LBPRGKRZSA-N 0 3 424.295 1.856 20 0 HDADHN O=C(CC[C@@H]1NC(=O)NC1=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000727395900 1076112408 /nfs/dbraw/zinc/11/24/08/1076112408.db2.gz DMHYJNPWNKYSAG-KRWDZBQOSA-N 0 3 415.494 1.818 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)COC(=O)COC[C@H]3CCCO3)cc2)CC1 ZINC000733590820 1076119193 /nfs/dbraw/zinc/11/91/93/1076119193.db2.gz ANIRJJFWHVNWDE-LJQANCHMSA-N 0 3 405.495 1.506 20 0 HDADHN COC(=O)/C=C1/SCC(=O)N1CCCN1CCC(NC(=O)c2ccoc2C)CC1 ZINC000727437623 1076121239 /nfs/dbraw/zinc/12/12/39/1076121239.db2.gz VBLDZFDGCONEBI-LDADJPATSA-N 0 3 421.519 1.762 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc2)CC1 ZINC000733668599 1076149096 /nfs/dbraw/zinc/14/90/96/1076149096.db2.gz JPBXXRMGBQHZKO-HOTGVXAUSA-N 0 3 424.567 1.047 20 0 HDADHN CN1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)CC1 ZINC000727613044 1076182308 /nfs/dbraw/zinc/18/23/08/1076182308.db2.gz WXCBTZUYQXQSAK-UHFFFAOYSA-N 0 3 415.538 1.604 20 0 HDADHN COCCN(C(C)=O)c1nc(COC(=O)C2CC[C@@H](C(F)(F)F)NC2=O)cs1 ZINC000733821359 1076213971 /nfs/dbraw/zinc/21/39/71/1076213971.db2.gz MIRAATREWRPSBP-RYUDHWBXSA-N 0 3 423.413 1.643 20 0 HDADHN CNS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001299316786 1076246261 /nfs/dbraw/zinc/24/62/61/1076246261.db2.gz HLUAIGJFWLKXSZ-UHFFFAOYSA-N 0 3 412.604 1.481 20 0 HDADHN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC(CN2CCOCC2)CC1 ZINC000727832446 1076264002 /nfs/dbraw/zinc/26/40/02/1076264002.db2.gz BQQHSYHOCPCIGA-IBGZPJMESA-N 0 3 416.566 1.894 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000727860127 1076275005 /nfs/dbraw/zinc/27/50/05/1076275005.db2.gz SAUZNPGWPCEIPO-KRWDZBQOSA-N 0 3 424.505 1.681 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O ZINC000727861166 1076275071 /nfs/dbraw/zinc/27/50/71/1076275071.db2.gz YWKVRASKKFCJFE-HNNXBMFYSA-N 0 3 409.508 1.080 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O ZINC000727861167 1076275214 /nfs/dbraw/zinc/27/52/14/1076275214.db2.gz YWKVRASKKFCJFE-OAHLLOKOSA-N 0 3 409.508 1.080 20 0 HDADHN Cc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000733976462 1076281000 /nfs/dbraw/zinc/28/10/00/1076281000.db2.gz QEBHVTKJBCTHKM-KRWDZBQOSA-N 0 3 416.595 1.932 20 0 HDADHN Cc1cc(=O)oc2cc(OCC(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)ccc12 ZINC000728072825 1076332710 /nfs/dbraw/zinc/33/27/10/1076332710.db2.gz JQDLGWOVWJJLSH-SFHVURJKSA-N 0 3 415.490 1.539 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000728072582 1076332745 /nfs/dbraw/zinc/33/27/45/1076332745.db2.gz DVSNVBYBHUILKU-KBPBESRZSA-N 0 3 422.448 1.209 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000728073964 1076333806 /nfs/dbraw/zinc/33/38/06/1076333806.db2.gz ZNBTWPIEUROCJA-QGZVFWFLSA-N 0 3 401.536 1.834 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@H](C)C1 ZINC000728135392 1076340038 /nfs/dbraw/zinc/34/00/38/1076340038.db2.gz IYRRKDRROCQSEI-HOTGVXAUSA-N 0 3 406.502 1.837 20 0 HDADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000728140701 1076341280 /nfs/dbraw/zinc/34/12/80/1076341280.db2.gz DPFUYBJCLKZWND-CVEARBPZSA-N 0 3 406.502 1.837 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000730218191 1076479959 /nfs/dbraw/zinc/47/99/59/1076479959.db2.gz FURZYZRFDVKBCG-KBXCAEBGSA-N 0 3 402.470 1.119 20 0 HDADHN CC(C)(C)OC(=O)N[C@@H]1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000730263894 1076504810 /nfs/dbraw/zinc/50/48/10/1076504810.db2.gz KBSNDUGUKBDRDS-MRXNPFEDSA-N 0 3 404.515 1.114 20 0 HDADHN CN1CCN(CCCCNC(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000730273733 1076517392 /nfs/dbraw/zinc/51/73/92/1076517392.db2.gz WBIKSKQJRYXSPD-SFHVURJKSA-N 0 3 411.591 1.960 20 0 HDADHN CCOC(=O)C1C(CN(C[C@H](C)O)C(C)C)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000730420291 1076575108 /nfs/dbraw/zinc/57/51/08/1076575108.db2.gz WWPUAMNDNNWQHH-IFXJQAMLSA-N 0 3 405.495 1.958 20 0 HDADHN Cc1ccc(C)c(S(=O)(=O)NCC(=O)N(CCN(C)C)Cc2cccc(O)c2)c1 ZINC001545677677 1076581921 /nfs/dbraw/zinc/58/19/21/1076581921.db2.gz AHZJKOQHBLRYRP-UHFFFAOYSA-N 0 3 419.547 1.878 20 0 HDADHN O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000730920862 1076693775 /nfs/dbraw/zinc/69/37/75/1076693775.db2.gz PIAODZUNRQOSMI-CQSZACIVSA-N 0 3 415.462 1.708 20 0 HDADHN COC(=O)c1ccc(N2CCN(CCc3ccc(S(N)(=O)=O)cc3)[C@@H](C)C2)cc1 ZINC000730940174 1076699100 /nfs/dbraw/zinc/69/91/00/1076699100.db2.gz ZYVNVJYPFAXVJA-INIZCTEOSA-N 0 3 417.531 1.874 20 0 HDADHN C[C@@H]1CN(c2ccc(NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)cc2F)C[C@H](C)O1 ZINC000731133529 1076736691 /nfs/dbraw/zinc/73/66/91/1076736691.db2.gz BDDPMHNLEPXMSK-DAYGRLMNSA-N 0 3 418.513 1.978 20 0 HDADHN O=C(Nc1ccc(-n2cnc3ccccc32)nc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000731134372 1076737092 /nfs/dbraw/zinc/73/70/92/1076737092.db2.gz JFKKZBGMYGDOAJ-KRWDZBQOSA-N 0 3 404.474 1.960 20 0 HDADHN Cc1c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)nnn1-c1ccc(OC(F)F)cc1 ZINC000731188699 1076742030 /nfs/dbraw/zinc/74/20/30/1076742030.db2.gz JFJSCEHKNXKMKE-HOCLYGCPSA-N 0 3 407.421 1.770 20 0 HDADHN Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(c2cc(CN(C)C)ccn2)C3)nn1 ZINC001164635174 719266311 /nfs/dbraw/zinc/26/63/11/719266311.db2.gz HVRNXTGRVKTWCA-SIKLNZKXSA-N 0 3 412.538 1.966 20 0 HDADHN CN1CCN(c2cccc(N(Cc3noc4c3CNCC4)c3ncccn3)n2)CC1 ZINC001164641798 719266996 /nfs/dbraw/zinc/26/69/96/719266996.db2.gz WOUWIZARBAPBQG-UHFFFAOYSA-N 0 3 406.494 1.595 20 0 HDADHN CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(CCCN2CC(=O)NC)CC1 ZINC001164685831 719720758 /nfs/dbraw/zinc/72/07/58/719720758.db2.gz NOJIOJOXAIHECV-UHFFFAOYSA-N 0 3 409.918 1.416 20 0 HDADHN CNC(=O)CN1CCCC12CCN(c1nc(CO)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164683668 719732538 /nfs/dbraw/zinc/73/25/38/719732538.db2.gz BVTNDAPCOZDKFB-UHFFFAOYSA-N 0 3 417.554 1.739 20 0 HDADHN Cn1cnc2c1nc(N1CC[C@@H]3[C@@H]1CCN3Cc1cccnc1)nc2N1CCOCC1 ZINC001164727838 720360603 /nfs/dbraw/zinc/36/06/03/720360603.db2.gz UQXUYBMKNFKTFE-MSOLQXFVSA-N 0 3 420.521 1.448 20 0 HDADHN COC(=O)c1cc2ccncc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741082 720709321 /nfs/dbraw/zinc/70/93/21/720709321.db2.gz SPWDHOREMDGUPI-HZPDHXFCSA-N 0 3 406.446 1.548 20 0 HDADHN CCc1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCOCC2)n1 ZINC001164746943 720730879 /nfs/dbraw/zinc/73/08/79/720730879.db2.gz ZBVJRKZNRDLTLB-ROUUACIJSA-N 0 3 411.510 1.008 20 0 HDADHN CCOC(=O)c1nc2ccn(C)c2c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164738913 720742731 /nfs/dbraw/zinc/74/27/31/720742731.db2.gz GZCWQWRRJJCSPE-HUUCEWRRSA-N 0 3 423.477 1.277 20 0 HDADHN CS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)N3CC3CC3)C2)nc1 ZINC001164743534 720842948 /nfs/dbraw/zinc/84/29/48/720842948.db2.gz IYEHJVBLLKSJPP-YQVWRLOYSA-N 0 3 416.551 1.456 20 0 HDADHN CN1CCN(c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)CC1 ZINC001164867058 721051881 /nfs/dbraw/zinc/05/18/81/721051881.db2.gz HDVBQNQHCSURJD-WOJBJXKFSA-N 0 3 409.538 1.103 20 0 HDADHN CCOC(=O)c1nc2ccn(C)c2c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164767614 721180684 /nfs/dbraw/zinc/18/06/84/721180684.db2.gz KEOHYEMPSRRQQC-IRXDYDNUSA-N 0 3 423.521 1.837 20 0 HDADHN CCOC(=O)Cc1cccnc1N1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164884965 721390808 /nfs/dbraw/zinc/39/08/08/721390808.db2.gz BEYSDCUSHDAFPR-NFBKMPQASA-N 0 3 416.566 1.953 20 0 HDADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc5c4NC(=O)CO5)C3)O2)CC1 ZINC001164883872 721414343 /nfs/dbraw/zinc/41/43/43/721414343.db2.gz CEBUCVMLHKAGRL-IERDGZPVSA-N 0 3 401.511 1.178 20 0 HDADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(Cn5cncn5)cn4)C3)O2)CC1 ZINC001164899368 721434927 /nfs/dbraw/zinc/43/49/27/721434927.db2.gz YIZURXCASYTBJI-IFMALSPDSA-N 0 3 411.554 1.487 20 0 HDADHN CCOC(=O)c1cnc2cc(N3CCn4cc(CN5CCN(C)CC5)nc4C3)[nH]cc1-2 ZINC001164796831 721518146 /nfs/dbraw/zinc/51/81/46/721518146.db2.gz CZHKDDZZNPSRRW-UHFFFAOYSA-N 0 3 423.521 1.704 20 0 HDADHN CN1CCN(c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1 ZINC001164978359 722102221 /nfs/dbraw/zinc/10/22/21/722102221.db2.gz GTATXHBIQMTXIR-LEWJYISDSA-N 0 3 423.565 1.351 20 0 HDADHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3ccn(CC(=O)N(C)C)n3)CC2)C[C@H](C)O1 ZINC000429086273 1073532524 /nfs/dbraw/zinc/53/25/24/1073532524.db2.gz UOKLYQWFQCCSIN-CALCHBBNSA-N 0 3 420.558 1.715 20 0 HDADHN CCN1CCN(c2ccc(C(=O)N3CCc4ccc(S(N)(=O)=O)cc43)cc2)CC1 ZINC000673673792 1073630117 /nfs/dbraw/zinc/63/01/17/1073630117.db2.gz ZWMUFKJIXLIETC-UHFFFAOYSA-N 0 3 414.531 1.679 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000673771930 1073705920 /nfs/dbraw/zinc/70/59/20/1073705920.db2.gz PFCRSRSLUGUALX-MJGOQNOKSA-N 0 3 408.568 1.716 20 0 HDADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000429130345 1073712421 /nfs/dbraw/zinc/71/24/21/1073712421.db2.gz HCBWUCPNBCZZGF-OAHLLOKOSA-N 0 3 417.959 1.996 20 0 HDADHN C[C@@H]1CN(CC2CCN(C(=O)NCCC3CCS(=O)(=O)CC3)CC2)C[C@H](C)O1 ZINC000509156802 1073780171 /nfs/dbraw/zinc/78/01/71/1073780171.db2.gz VMVRFMNDARSWIY-CALCHBBNSA-N 0 3 415.600 1.732 20 0 HDADHN C[C@H]1C[C@@H](NC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CN1Cc1ccccc1 ZINC000466541962 1073799190 /nfs/dbraw/zinc/79/91/90/1073799190.db2.gz SSZGIYJEKYGUOR-WMLDXEAASA-N 0 3 422.489 1.417 20 0 HDADHN CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)N[C@@H](CC(N)=O)C2CCOCC2)cc1 ZINC000543490814 1073800225 /nfs/dbraw/zinc/80/02/25/1073800225.db2.gz SPMOCHGNFFLWHQ-KDOFPFPSSA-N 0 3 405.495 1.839 20 0 HDADHN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000673839901 1073805457 /nfs/dbraw/zinc/80/54/57/1073805457.db2.gz IENDJQSAOGFNBO-YADHBBJMSA-N 0 3 418.557 1.703 20 0 HDADHN O=C(NC1CCN(CC(F)F)CC1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000673876605 1073843845 /nfs/dbraw/zinc/84/38/45/1073843845.db2.gz HDDIZQPGKXQYIG-IEBWSBKVSA-N 0 3 410.509 1.898 20 0 HDADHN Cc1cc(NC(=O)CN[C@H](CC(N)=O)C2CCOCC2)n(-c2ccc(F)cc2)n1 ZINC000543497712 1073849289 /nfs/dbraw/zinc/84/92/89/1073849289.db2.gz OLCULCMMEQGCBJ-QGZVFWFLSA-N 0 3 403.458 1.519 20 0 HDADHN CC(C)OCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000673878124 1073849948 /nfs/dbraw/zinc/84/99/48/1073849948.db2.gz DBFXATHCQSCRJK-GOSISDBHSA-N 0 3 417.554 1.553 20 0 HDADHN O=C(NCc1nnnn1-c1ccccc1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000673879196 1073851092 /nfs/dbraw/zinc/85/10/92/1073851092.db2.gz WQSOQRSHVMLFKS-UYAOXDASSA-N 0 3 421.505 1.345 20 0 HDADHN C[C@@H](NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000543496540 1073857463 /nfs/dbraw/zinc/85/74/63/1073857463.db2.gz RFFRSPMMVASALU-WDEREUQCSA-N 0 3 412.412 1.650 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)CC1 ZINC000766041461 1073871445 /nfs/dbraw/zinc/87/14/45/1073871445.db2.gz ALDFDMYSNDICTH-SFHVURJKSA-N 0 3 415.538 1.985 20 0 HDADHN CS(=O)(=O)c1ccc(CNC2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CCC2)cc1 ZINC001273122606 1074040290 /nfs/dbraw/zinc/04/02/90/1074040290.db2.gz VWINSVMPFJCMRX-LFDJNIOPSA-N 0 3 404.532 1.642 20 0 HDADHN Cc1ccc(C(=O)N(CCN(C)C)CC(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000058885684 1074072997 /nfs/dbraw/zinc/07/29/97/1074072997.db2.gz USJDQIUKIXJZSI-UHFFFAOYSA-N 0 3 411.568 1.676 20 0 HDADHN C[C@H](NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@H]1COc2ccccc21 ZINC000543557069 1074094449 /nfs/dbraw/zinc/09/44/49/1074094449.db2.gz IXNHKIFTXHPXMN-FUHWJXTLSA-N 0 3 402.539 1.200 20 0 HDADHN CCC[C@@H]1CCCCN1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000543561279 1074099948 /nfs/dbraw/zinc/09/99/48/1074099948.db2.gz WRTIMKHORJKNQU-LJQANCHMSA-N 0 3 423.579 1.978 20 0 HDADHN O=C(Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000674056641 1074157937 /nfs/dbraw/zinc/15/79/37/1074157937.db2.gz NRBWHGFOBZDISP-CVEARBPZSA-N 0 3 405.524 1.598 20 0 HDADHN Cc1cc(N2CCC(NC(=O)NCC(C)(C)N3CCN(C)CC3)CC2)nc(C)n1 ZINC000674140532 1074190802 /nfs/dbraw/zinc/19/08/02/1074190802.db2.gz KORCOHUSIOMGJY-UHFFFAOYSA-N 0 3 403.575 1.387 20 0 HDADHN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000674192639 1074206256 /nfs/dbraw/zinc/20/62/56/1074206256.db2.gz ICWZZZMLFHZXCW-MRXNPFEDSA-N 0 3 402.495 1.326 20 0 HDADHN COCCN1CCC(NC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)CC1 ZINC000140210023 1074247277 /nfs/dbraw/zinc/24/72/77/1074247277.db2.gz ALVASOOIJAZXSZ-HXUWFJFHSA-N 0 3 408.518 1.609 20 0 HDADHN COCCN1CCC(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000140317461 1074256506 /nfs/dbraw/zinc/25/65/06/1074256506.db2.gz NIRRGEDSSWSZEV-CALCHBBNSA-N 0 3 405.543 1.605 20 0 HDADHN COC1CCN(CCNC(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 ZINC000674310705 1074268528 /nfs/dbraw/zinc/26/85/28/1074268528.db2.gz JBNZEUTUDUYVTM-SFHVURJKSA-N 0 3 403.523 1.531 20 0 HDADHN COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCCN2CCC(OC)CC2)c(OC)c1 ZINC000674323859 1074272768 /nfs/dbraw/zinc/27/27/68/1074272768.db2.gz HPQKDLVWXFDTQN-IBGZPJMESA-N 0 3 419.522 1.535 20 0 HDADHN COC1CCN(CCNC(=O)CCNS(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000674325102 1074273801 /nfs/dbraw/zinc/27/38/01/1074273801.db2.gz SIRZEMUFTVMZLF-UHFFFAOYSA-N 0 3 411.568 1.705 20 0 HDADHN COC1CCN(CCNC(=O)[C@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CC1 ZINC000674325136 1074273942 /nfs/dbraw/zinc/27/39/42/1074273942.db2.gz VDGCBBCZYZCMTE-KRWDZBQOSA-N 0 3 413.522 1.642 20 0 HDADHN COC1CCN(CCNC(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)CC1 ZINC000674326756 1074276170 /nfs/dbraw/zinc/27/61/70/1074276170.db2.gz FDLVAEQYEXQWLX-UHFFFAOYSA-N 0 3 407.559 1.913 20 0 HDADHN COC1CCN(CCNC(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)CC1 ZINC000674317798 1074279431 /nfs/dbraw/zinc/27/94/31/1074279431.db2.gz OHXCWQMHRPDMOP-UHFFFAOYSA-N 0 3 410.540 1.702 20 0 HDADHN COC1CCN(CCNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000674317410 1074279532 /nfs/dbraw/zinc/27/95/32/1074279532.db2.gz RDSZQAIZRJTQNV-UHFFFAOYSA-N 0 3 404.920 1.944 20 0 HDADHN COC1CCN(CCNC(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)CC1 ZINC000674330889 1074285894 /nfs/dbraw/zinc/28/58/94/1074285894.db2.gz AODQXPYXRROCES-FQEVSTJZSA-N 0 3 402.539 1.630 20 0 HDADHN COC1CCN(CCNC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000674333005 1074286580 /nfs/dbraw/zinc/28/65/80/1074286580.db2.gz RQMAHPYOSURXCZ-RLLQIKCJSA-N 0 3 400.523 1.553 20 0 HDADHN O=C(NCC1(CN2CCOCC2)CCCCC1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000674404445 1074315461 /nfs/dbraw/zinc/31/54/61/1074315461.db2.gz PGXRURSFFKGGEV-UXHICEINSA-N 0 3 408.587 1.510 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCC2(N3CCSCC3)CCCC2)C1=O ZINC000674614664 1074485351 /nfs/dbraw/zinc/48/53/51/1074485351.db2.gz FCXBXNOGVDDZDI-QRWLVFNGSA-N 0 3 423.583 1.368 20 0 HDADHN Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 ZINC000674638019 1074497707 /nfs/dbraw/zinc/49/77/07/1074497707.db2.gz BPXRTDGNDKXXMR-PGRDOPGGSA-N 0 3 415.538 1.789 20 0 HDADHN CC(C)C1CCC(N2CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)CC2)CC1 ZINC000674674080 1074525416 /nfs/dbraw/zinc/52/54/16/1074525416.db2.gz VWZOOWCNJOLJAK-UHFFFAOYSA-N 0 3 402.605 1.856 20 0 HDADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000674808870 1074575267 /nfs/dbraw/zinc/57/52/67/1074575267.db2.gz KYIYUBAQZQOOBX-IAGOWNOFSA-N 0 3 419.551 1.210 20 0 HDADHN CCN1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)C1 ZINC000674898637 1074605576 /nfs/dbraw/zinc/60/55/76/1074605576.db2.gz RZZCSFRBUGCBBL-AUUYWEPGSA-N 0 3 410.474 1.973 20 0 HDADHN C[C@H]1CN(c2ccc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]3CCCO3)cc2)CCO1 ZINC000737165838 1074668223 /nfs/dbraw/zinc/66/82/23/1074668223.db2.gz BJRWQQLXDQASFE-PXNSSMCTSA-N 0 3 418.538 1.419 20 0 HDADHN Cc1cc(NC(=O)C(=O)N2CCCN(C(C)C)CC2)nn1-c1ccc(F)cc1F ZINC000554771398 1074704938 /nfs/dbraw/zinc/70/49/38/1074704938.db2.gz PPSDKRODKHWBEG-UHFFFAOYSA-N 0 3 405.449 2.340 20 0 HDADHN COC(=O)CCc1nnc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)s1 ZINC000561809832 1074726990 /nfs/dbraw/zinc/72/69/90/1074726990.db2.gz DYZWXJCPQPYKGO-DZGCQCFKSA-N 0 3 403.508 2.428 20 0 HDADHN COC(=O)CCc1nnc(NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)s1 ZINC000467469226 1074727369 /nfs/dbraw/zinc/72/73/69/1074727369.db2.gz MUBDGHBTCOWWCE-DZGCQCFKSA-N 0 3 403.508 2.428 20 0 HDADHN COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)C1=O ZINC000675127682 1074733510 /nfs/dbraw/zinc/73/35/10/1074733510.db2.gz NMHCPYQANDVCDD-SJORKVTESA-N 0 3 416.522 1.153 20 0 HDADHN CC(C)(C)N1C[C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CC1=O ZINC000429322283 1074754420 /nfs/dbraw/zinc/75/44/20/1074754420.db2.gz JSRFNCXWXIIIHJ-QRVBRYPASA-N 0 3 402.539 1.568 20 0 HDADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675291909 1074782417 /nfs/dbraw/zinc/78/24/17/1074782417.db2.gz WQSVENLCIANVSK-CPUCHLNUSA-N 0 3 422.476 1.423 20 0 HDADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675291911 1074782563 /nfs/dbraw/zinc/78/25/63/1074782563.db2.gz WQSVENLCIANVSK-KEYYUXOJSA-N 0 3 422.476 1.423 20 0 HDADHN CCCCn1c(N)c(N(CC)C(=O)CN[C@@H]2Cc3cccc(O)c3C2)c(=O)[nH]c1=O ZINC000429245848 1074816543 /nfs/dbraw/zinc/81/65/43/1074816543.db2.gz DPXNMNLTROXOOW-CQSZACIVSA-N 0 3 415.494 1.147 20 0 HDADHN Cc1cc(NC(=O)CCN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)no1 ZINC000501987357 1075094814 /nfs/dbraw/zinc/09/48/14/1075094814.db2.gz VRRROGKKQAYFRF-NRFANRHFSA-N 0 3 411.462 1.898 20 0 HDADHN CN(CC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ncnc2nc[nH]c21 ZINC000429341650 1075122543 /nfs/dbraw/zinc/12/25/43/1075122543.db2.gz QETDPZZYIPHQGM-KRWDZBQOSA-N 0 3 409.494 1.196 20 0 HDADHN CCCN1CCC[C@@H]1C(=O)Nc1nn(C)cc1CNC(=O)[C@@H]1CCCN1CCC ZINC000477794725 1075123446 /nfs/dbraw/zinc/12/34/46/1075123446.db2.gz OWUQHLUUHJEKMK-ZWKOTPCHSA-N 0 3 404.559 1.724 20 0 HDADHN C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000675406718 1075133387 /nfs/dbraw/zinc/13/33/87/1075133387.db2.gz CXBALDUDZLFHMY-DOTOQJQBSA-N 0 3 416.522 1.254 20 0 HDADHN COCCCN(C)CCNC(=O)C(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 ZINC000539642857 1075137328 /nfs/dbraw/zinc/13/73/28/1075137328.db2.gz BYDVFFLAJSZZNK-UHFFFAOYSA-N 0 3 407.902 1.857 20 0 HDADHN COCCN1CCC(NC(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)CC1 ZINC000143657669 1075143143 /nfs/dbraw/zinc/14/31/43/1075143143.db2.gz DBRREYJAXLUMJX-HUUCEWRRSA-N 0 3 411.572 1.985 20 0 HDADHN Cc1cc(NC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)nnc1C ZINC000467457724 1075152632 /nfs/dbraw/zinc/15/26/32/1075152632.db2.gz LIFXRPWHBMOCLF-IBGZPJMESA-N 0 3 409.538 2.555 20 0 HDADHN CC(=O)NCCc1ccc(S(=O)(=O)N2C[C@H](CN(C)C)Oc3ccccc32)s1 ZINC000675469886 1075164561 /nfs/dbraw/zinc/16/45/61/1075164561.db2.gz PSMORKGUALGGHZ-HNNXBMFYSA-N 0 3 423.560 1.945 20 0 HDADHN CC(=O)NCCc1ccc(S(=O)(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1 ZINC000675469984 1075164720 /nfs/dbraw/zinc/16/47/20/1075164720.db2.gz QPFLHCGXXMKWEQ-GOSISDBHSA-N 0 3 417.531 1.883 20 0 HDADHN COCCN1CCC(NC(=O)C(=O)Nc2cc(C)n(-c3cc(C)cc(C)c3)n2)CC1 ZINC000539667077 1075170783 /nfs/dbraw/zinc/17/07/83/1075170783.db2.gz RINFKQWKPZNJRM-UHFFFAOYSA-N 0 3 413.522 1.963 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCC(S(C)(=O)=O)CC2)CC1 ZINC000675480791 1075171331 /nfs/dbraw/zinc/17/13/31/1075171331.db2.gz XXLDYUZLUOCTTN-UHFFFAOYSA-N 0 3 422.595 1.543 20 0 HDADHN C[C@H](C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21)N1C(=O)NC2(CCCC2)C1=O ZINC000675491933 1075176022 /nfs/dbraw/zinc/17/60/22/1075176022.db2.gz VYSLHFKJKMAQBM-HUUCEWRRSA-N 0 3 400.479 1.595 20 0 HDADHN O=C(CN1CCCN(C[C@@H]2CCCO2)CC1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000675497061 1075177343 /nfs/dbraw/zinc/17/73/43/1075177343.db2.gz VDCRTFDCNIDQRO-INIZCTEOSA-N 0 3 419.917 1.441 20 0 HDADHN Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000675496921 1075178524 /nfs/dbraw/zinc/17/85/24/1075178524.db2.gz YMTIXTIPIAHLPV-KRWDZBQOSA-N 0 3 417.489 1.235 20 0 HDADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000675511405 1075189385 /nfs/dbraw/zinc/18/93/85/1075189385.db2.gz HALJBNXEGMLPSB-KBPBESRZSA-N 0 3 409.533 1.771 20 0 HDADHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000675538420 1075194933 /nfs/dbraw/zinc/19/49/33/1075194933.db2.gz GLLSDWFDTZRNBI-ICSRJNTNSA-N 0 3 421.563 1.518 20 0 HDADHN C[C@@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000675538043 1075195031 /nfs/dbraw/zinc/19/50/31/1075195031.db2.gz PZQUUNUASKNUOH-LAUBAEHRSA-N 0 3 404.530 1.706 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000675539170 1075195599 /nfs/dbraw/zinc/19/55/99/1075195599.db2.gz YGJORYAPJFNUPY-HKUYNNGSSA-N 0 3 421.563 1.457 20 0 HDADHN COc1ccc(-n2cnnc2SCC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000675541042 1075196976 /nfs/dbraw/zinc/19/69/76/1075196976.db2.gz OGDKXBBUSNPDBZ-KRWDZBQOSA-N 0 3 417.535 1.738 20 0 HDADHN COCCn1ccc(NC(=O)C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)n1 ZINC000472912893 1075205497 /nfs/dbraw/zinc/20/54/97/1075205497.db2.gz DNKUBZXBVKJHCR-UHFFFAOYSA-N 0 3 417.432 1.390 20 0 HDADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000550838611 1075229088 /nfs/dbraw/zinc/22/90/88/1075229088.db2.gz HXQWHUHBOZXRBF-CQSZACIVSA-N 0 3 401.433 1.619 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)Nc2cc3n(n2)CCCC3)CC1 ZINC000497874833 1075232839 /nfs/dbraw/zinc/23/28/39/1075232839.db2.gz QYVDSERJQHFISR-UHFFFAOYSA-N 0 3 424.549 1.612 20 0 HDADHN CN(C(=O)COCC(=O)NCc1cccnc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470674066 1075257709 /nfs/dbraw/zinc/25/77/09/1075257709.db2.gz SIIJEDYFHCBSRH-OAQYLSRUSA-N 0 3 410.518 1.837 20 0 HDADHN COc1ccc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1S(=O)(=O)NC1CCCC1 ZINC001129073745 1075278605 /nfs/dbraw/zinc/27/86/05/1075278605.db2.gz IQHOQZIQRBYDBT-WBVHZDCISA-N 0 3 407.536 1.692 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000675826655 1075279030 /nfs/dbraw/zinc/27/90/30/1075279030.db2.gz PLNRNUONQRNORJ-ROUUACIJSA-N 0 3 407.559 1.162 20 0 HDADHN O=S(=O)([C@@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1)N1CCCC1 ZINC000509371592 1075286987 /nfs/dbraw/zinc/28/69/87/1075286987.db2.gz JTNCRTGLRNGKAB-OAQYLSRUSA-N 0 3 406.596 1.699 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2nc(N3CCCC3)ncc2Cl)CC1 ZINC000675918091 1075291558 /nfs/dbraw/zinc/29/15/58/1075291558.db2.gz OAPVZFXUCQZVJG-OAHLLOKOSA-N 0 3 406.918 1.109 20 0 HDADHN OCCN1CCN(CCCCNc2ccc3nnc(-c4ccsc4)n3n2)CC1 ZINC000480111497 1075301521 /nfs/dbraw/zinc/30/15/21/1075301521.db2.gz AKUDXAJLJJDPSD-UHFFFAOYSA-N 0 3 401.540 1.655 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)CC1 ZINC000429385217 1075317210 /nfs/dbraw/zinc/31/72/10/1075317210.db2.gz HJPJGLBYOJADFC-YJRQDOMCSA-N 0 3 400.589 1.262 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000675981321 1075318689 /nfs/dbraw/zinc/31/86/89/1075318689.db2.gz KQMPUINXOYLSSZ-LPHOPBHVSA-N 0 3 421.492 1.492 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H](Cn2cccn2)c2ccccc2)CC1 ZINC000675996482 1075320184 /nfs/dbraw/zinc/32/01/84/1075320184.db2.gz FSPSIXZCUZPTND-WOJBJXKFSA-N 0 3 410.522 1.572 20 0 HDADHN CN(C)[C@H]1Cc2ccccc2N(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C1 ZINC000731468296 1075357653 /nfs/dbraw/zinc/35/76/53/1075357653.db2.gz FINAWOUJJVCJTP-PXNSSMCTSA-N 0 3 409.465 1.765 20 0 HDADHN O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000676095119 1075357818 /nfs/dbraw/zinc/35/78/18/1075357818.db2.gz GVEMFMUFFULAFF-CYBMUJFWSA-N 0 3 422.411 1.825 20 0 HDADHN Cc1c(C(=O)N(C)CC(=O)NCc2ccco2)nnn1-c1cccc2c1CCN(C)C2 ZINC000731471249 1075358943 /nfs/dbraw/zinc/35/89/43/1075358943.db2.gz PHUKLTYMGDWILS-UHFFFAOYSA-N 0 3 422.489 1.545 20 0 HDADHN COC(=O)[C@H]1CCN(CC(=O)NCc2c(OC)cc(OC)cc2OC)[C@H]1C(C)C ZINC000429396313 1075361672 /nfs/dbraw/zinc/36/16/72/1075361672.db2.gz WCASPEVALXUCRX-YWZLYKJASA-N 0 3 408.495 1.848 20 0 HDADHN CNC(=O)c1ccc(CN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C2CC2)cc1 ZINC000731487677 1075367021 /nfs/dbraw/zinc/36/70/21/1075367021.db2.gz VHCUZWGXRLTDHD-FQEVSTJZSA-N 0 3 422.485 1.888 20 0 HDADHN CN(CCOC(C)(C)C)C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000676101764 1075382423 /nfs/dbraw/zinc/38/24/23/1075382423.db2.gz FCFDUDHEAOSTPH-UHFFFAOYSA-N 0 3 418.538 1.596 20 0 HDADHN CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000804093764 1075393403 /nfs/dbraw/zinc/39/34/03/1075393403.db2.gz POEGQTHADIKTLL-IRXDYDNUSA-N 0 3 410.559 1.881 20 0 HDADHN CC[C@@H](C)N[C@H](CNC(=O)Nc1ccn(CCN2CCOCC2)n1)c1ccco1 ZINC000563987842 1075432353 /nfs/dbraw/zinc/43/23/53/1075432353.db2.gz GXVBOQZTPHWXPN-IAGOWNOFSA-N 0 3 404.515 2.059 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000676242752 1075444587 /nfs/dbraw/zinc/44/45/87/1075444587.db2.gz AOQNBYVBRZWAHL-WIYYLYMNSA-N 0 3 403.571 1.342 20 0 HDADHN Cc1cccc(N2CCN(CCCCNC(=O)N[C@@H](C)[C@H]3CN(C)CCO3)CC2)c1 ZINC000676243168 1075444782 /nfs/dbraw/zinc/44/47/82/1075444782.db2.gz JVKFDXUZKQNUCC-RBBKRZOGSA-N 0 3 417.598 1.916 20 0 HDADHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCc1nc(-c2cccc(F)c2)no1 ZINC000676231352 1075449361 /nfs/dbraw/zinc/44/93/61/1075449361.db2.gz FEGNYTCACBOOAI-OKILXGFUSA-N 0 3 403.458 1.871 20 0 HDADHN CN1CCN(CCCNC(=O)C(=O)Nc2ccc(F)cc2OC2CCCC2)CC1 ZINC000676264676 1075463247 /nfs/dbraw/zinc/46/32/47/1075463247.db2.gz XGDGOLIAYFHEGA-UHFFFAOYSA-N 0 3 406.502 1.839 20 0 HDADHN CCn1nc2c(cc1=O)CN(CC[C@@H](C)N1CCc3nn(CC)c(=O)cc3C1)CC2 ZINC000676252489 1075470546 /nfs/dbraw/zinc/47/05/46/1075470546.db2.gz OQSSNEMZPHPVGJ-MRXNPFEDSA-N 0 3 412.538 1.035 20 0 HDADHN O=C(Cc1csc(NC(=O)c2ccco2)n1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676341488 1075515642 /nfs/dbraw/zinc/51/56/42/1075515642.db2.gz REQTYXVMFILWCB-OAHLLOKOSA-N 0 3 404.492 1.900 20 0 HDADHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1c(Br)nnn1C ZINC000711781066 1075516224 /nfs/dbraw/zinc/51/62/24/1075516224.db2.gz WUMZSSLMUVUYOK-QGZVFWFLSA-N 0 3 408.300 1.287 20 0 HDADHN O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000676345179 1075517823 /nfs/dbraw/zinc/51/78/23/1075517823.db2.gz LRHFYXUSZALGSM-RXVVDRJESA-N 0 3 417.525 1.976 20 0 HDADHN O=C(COc1ccccc1)N1CCC[C@@H](C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000676344891 1075518256 /nfs/dbraw/zinc/51/82/56/1075518256.db2.gz UNQUBPKOWAVRCX-QUCCMNQESA-N 0 3 415.534 1.674 20 0 HDADHN CCN1C(=O)N=NC1C1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000676366396 1075525972 /nfs/dbraw/zinc/52/59/72/1075525972.db2.gz KPSAQMFSWNZRPD-MRXNPFEDSA-N 0 3 414.466 1.061 20 0 HDADHN Cc1ccc(S(=O)(=O)n2ccc(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)c2)cc1 ZINC000731878069 1075550093 /nfs/dbraw/zinc/55/00/93/1075550093.db2.gz FIZZWVRQTSQNTP-ZWKOTPCHSA-N 0 3 403.504 1.627 20 0 HDADHN Cc1ccc(S(=O)(=O)n2ccc(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)c2)cc1 ZINC000731878066 1075550149 /nfs/dbraw/zinc/55/01/49/1075550149.db2.gz FIZZWVRQTSQNTP-MSOLQXFVSA-N 0 3 403.504 1.627 20 0 HDADHN Cc1cc(CNC(=O)C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)[nH]n1 ZINC000676453336 1075558294 /nfs/dbraw/zinc/55/82/94/1075558294.db2.gz MAHQYUBUOFHMPA-GOSISDBHSA-N 0 3 407.478 1.617 20 0 HDADHN Cc1cc(CNC(=O)C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)[nH]n1 ZINC000676453337 1075558591 /nfs/dbraw/zinc/55/85/91/1075558591.db2.gz MAHQYUBUOFHMPA-SFHVURJKSA-N 0 3 407.478 1.617 20 0 HDADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCCCN2CCCCC2)c1 ZINC000509415664 1075563602 /nfs/dbraw/zinc/56/36/02/1075563602.db2.gz LPAAUGAPRAXUEX-UHFFFAOYSA-N 0 3 417.597 1.871 20 0 HDADHN C[C@@H](CN1CCN(c2ccccn2)CC1)Nc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000562473012 1075571372 /nfs/dbraw/zinc/57/13/72/1075571372.db2.gz ORGRPNSBNBPJOI-LBPRGKRZSA-N 0 3 406.416 2.389 20 0 HDADHN CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)CCO2 ZINC000676523255 1075574038 /nfs/dbraw/zinc/57/40/38/1075574038.db2.gz WRCLCIMUPTUHJV-IEBWSBKVSA-N 0 3 419.522 1.594 20 0 HDADHN CNC(=O)c1cncc(/C=C\C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c1 ZINC000731974914 1075581690 /nfs/dbraw/zinc/58/16/90/1075581690.db2.gz JPWFUOLHKITNJR-WAYWQWQTSA-N 0 3 421.501 1.790 20 0 HDADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c1 ZINC000509422900 1075590300 /nfs/dbraw/zinc/59/03/00/1075590300.db2.gz DSCGPQOCNYWABP-HNNXBMFYSA-N 0 3 415.581 1.480 20 0 HDADHN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)[C@@H]3CCN(C4CC4)C3)C2=O)cc1 ZINC000732035009 1075592052 /nfs/dbraw/zinc/59/20/52/1075592052.db2.gz JDLYHCWUIVMXFP-IERDGZPVSA-N 0 3 400.479 1.157 20 0 HDADHN CN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCN(C2CC2)C1 ZINC000732035307 1075592070 /nfs/dbraw/zinc/59/20/70/1075592070.db2.gz LSCKMKAQFQHVJL-MRXNPFEDSA-N 0 3 411.499 1.155 20 0 HDADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676545693 1075592089 /nfs/dbraw/zinc/59/20/89/1075592089.db2.gz SXZVBFMESSBPIC-UHFFFAOYSA-N 0 3 418.501 1.830 20 0 HDADHN COC1(CNC(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCOCC1 ZINC000676564813 1075603156 /nfs/dbraw/zinc/60/31/56/1075603156.db2.gz HKZGODRYIGNSGC-UHFFFAOYSA-N 0 3 404.555 1.689 20 0 HDADHN CN(CCNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000804180817 1075610873 /nfs/dbraw/zinc/61/08/73/1075610873.db2.gz VGZUSIAPNZHKLP-GOSISDBHSA-N 0 3 418.538 1.702 20 0 HDADHN CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000732114400 1075635926 /nfs/dbraw/zinc/63/59/26/1075635926.db2.gz KMQLUIKVMKTELC-GOSISDBHSA-N 0 3 406.958 1.784 20 0 HDADHN Cc1nn(C)c2ncc(NC(=O)C(=O)NC3CCN([C@H](C)c4ccncc4)CC3)cc12 ZINC000676659496 1075640822 /nfs/dbraw/zinc/64/08/22/1075640822.db2.gz RETIENWYUSOEPP-OAHLLOKOSA-N 0 3 421.505 1.952 20 0 HDADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000676660018 1075642138 /nfs/dbraw/zinc/64/21/38/1075642138.db2.gz WNBFSWZMAGQVRG-AWEZNQCLSA-N 0 3 423.473 1.693 20 0 HDADHN CN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)[C@@H]1CN2CCC1CC2 ZINC000732160340 1075642182 /nfs/dbraw/zinc/64/21/82/1075642182.db2.gz ORGHVSSTSWFCPK-ZWKOTPCHSA-N 0 3 402.495 1.100 20 0 HDADHN COCCN(C)CCOc1cccc(CNC(=O)N[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000543682766 1075667942 /nfs/dbraw/zinc/66/79/42/1075667942.db2.gz XACPDIPDFPKXQJ-QGZVFWFLSA-N 0 3 413.540 1.020 20 0 HDADHN Cc1cccc(Cn2[nH]ccc2=NC(=O)CN2CCN(C[C@H]3CCCCN3C)CC2)c1 ZINC000732202332 1075675021 /nfs/dbraw/zinc/67/50/21/1075675021.db2.gz ZJHHUMFBZFUJAG-JOCHJYFZSA-N 0 3 424.593 1.702 20 0 HDADHN CN(C)C1(CNC(=O)C(=O)N2CCC[C@@H](c3nccn3C)C2)Cc2ccccc2C1 ZINC000506429187 1075675597 /nfs/dbraw/zinc/67/55/97/1075675597.db2.gz MXBHFMGWVQDHHW-LJQANCHMSA-N 0 3 409.534 1.342 20 0 HDADHN Cc1nc(CN2CCC(CNC(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)oc1C ZINC000732257542 1075688636 /nfs/dbraw/zinc/68/86/36/1075688636.db2.gz SATGTFFFDUYXNG-OALUTQOASA-N 0 3 405.543 1.666 20 0 HDADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000486225690 1075698442 /nfs/dbraw/zinc/69/84/42/1075698442.db2.gz LLPXMWVGUYMXKV-BEFAXECRSA-N 0 3 409.538 1.522 20 0 HDADHN CCN1C(=S)N=NC1CCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000732287400 1075699649 /nfs/dbraw/zinc/69/96/49/1075699649.db2.gz BRWGEQCVKXCKQB-UHFFFAOYSA-N 0 3 402.568 1.848 20 0 HDADHN C[C@@H]1CN(CCC2CCN(C(=O)C(=O)Nc3cc4n(n3)CCCC4)CC2)C[C@@H](C)O1 ZINC000498961123 1075701325 /nfs/dbraw/zinc/70/13/25/1075701325.db2.gz GROLSYDABXARCI-IAGOWNOFSA-N 0 3 417.554 1.896 20 0 HDADHN COc1cc2nc(NC[C@@H]3C[C@H](O)CN3Cc3ccccc3)nc(N)c2cc1OC ZINC000536304776 1075702713 /nfs/dbraw/zinc/70/27/13/1075702713.db2.gz HZQYFXGGONJOBJ-HOTGVXAUSA-N 0 3 409.490 1.698 20 0 HDADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000462802393 1075704562 /nfs/dbraw/zinc/70/45/62/1075704562.db2.gz MSBCINGLTBZETE-PBHICJAKSA-N 0 3 422.489 2.019 20 0 HDADHN CN(C)CCN(Cc1ccccc1)C(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000497875968 1075723699 /nfs/dbraw/zinc/72/36/99/1075723699.db2.gz WPABDPFKTARROI-UHFFFAOYSA-N 0 3 410.478 1.973 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)N[C@@H](c1nccn1C)c1ccccc1OC ZINC000732442024 1075745238 /nfs/dbraw/zinc/74/52/38/1075745238.db2.gz RCZZZUSLELGKQW-VQIMIIECSA-N 0 3 401.511 1.928 20 0 HDADHN COC(=O)c1ccc(S(=O)(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000543688486 1075748638 /nfs/dbraw/zinc/74/86/38/1075748638.db2.gz ZGSMCTBECJUQQI-UHFFFAOYSA-N 0 3 409.552 1.511 20 0 HDADHN CN(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000732465999 1075753583 /nfs/dbraw/zinc/75/35/83/1075753583.db2.gz PBUWFUADNUUERO-RKVPGOIHSA-N 0 3 406.914 1.950 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H](C)N2CCc3ccccc32)CC1 ZINC000509446467 1075764362 /nfs/dbraw/zinc/76/43/62/1075764362.db2.gz GGVWRQDQORRFBR-SFHVURJKSA-N 0 3 401.555 1.633 20 0 HDADHN CN1CCN(c2ncc(CNCCNc3ccc(-c4ccccc4)nn3)cn2)CC1 ZINC000532395324 1075793648 /nfs/dbraw/zinc/79/36/48/1075793648.db2.gz FPUBQERAVUULSG-UHFFFAOYSA-N 0 3 404.522 1.887 20 0 HDADHN C[C@H]1C[C@H](NC(=O)Nc2ccn(CCN3CCOCC3)n2)CN1Cc1ccccc1 ZINC000467478464 1075815102 /nfs/dbraw/zinc/81/51/02/1075815102.db2.gz ORSPFCINYPKCBE-ICSRJNTNSA-N 0 3 412.538 2.000 20 0 HDADHN CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000611063959 1075822767 /nfs/dbraw/zinc/82/27/67/1075822767.db2.gz PQBCSJIOSYEUFS-NRSPTQNISA-N 0 3 419.614 1.833 20 0 HDADHN CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000611063958 1075822849 /nfs/dbraw/zinc/82/28/49/1075822849.db2.gz PQBCSJIOSYEUFS-HMXCVIKNSA-N 0 3 419.614 1.833 20 0 HDADHN COC(=O)[C@H](CC(F)F)NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000611191339 1075873233 /nfs/dbraw/zinc/87/32/33/1075873233.db2.gz RWWMLPXZHYKLJE-AWEZNQCLSA-N 0 3 407.421 1.490 20 0 HDADHN CN(C)[C@@H](CNC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)Cc1ccccc1 ZINC000732883533 1075890907 /nfs/dbraw/zinc/89/09/07/1075890907.db2.gz VVDOVFOQYYOBSL-HZPDHXFCSA-N 0 3 400.445 1.964 20 0 HDADHN Cc1cc(Cn2nnc(C(=O)NCc3ccc(CN4CCN(C)CC4)cc3)c2C)no1 ZINC000506512704 1075976291 /nfs/dbraw/zinc/97/62/91/1075976291.db2.gz VARZMXOHUOAXCG-UHFFFAOYSA-N 0 3 423.521 1.609 20 0 HDADHN Cc1csc([C@@](O)(CC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)C(F)(F)F)n1 ZINC000733155298 1075988870 /nfs/dbraw/zinc/98/88/70/1075988870.db2.gz AKUJHCIKWILTID-PBHICJAKSA-N 0 3 422.517 1.980 20 0 HDADHN Cc1csc([C@@](O)(CC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)C(F)(F)F)n1 ZINC000733155301 1075989183 /nfs/dbraw/zinc/98/91/83/1075989183.db2.gz AKUJHCIKWILTID-YOEHRIQHSA-N 0 3 422.517 1.980 20 0 HDADHN CCN1CCN(CCNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000733160557 1075993890 /nfs/dbraw/zinc/99/38/90/1075993890.db2.gz DUPVEUVRANBEOS-UHFFFAOYSA-N 0 3 417.579 1.962 20 0 HDADHN CCNS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000733162588 1075995558 /nfs/dbraw/zinc/99/55/58/1075995558.db2.gz ZVXUDRQKRNCUQC-HNNXBMFYSA-N 0 3 413.515 1.497 20 0 HDADHN O=S(=O)(N1CCOCC1)N1CCC(NCc2cscc2Br)CC1 ZINC000512051415 1076000159 /nfs/dbraw/zinc/00/01/59/1076000159.db2.gz IEPOBUNUFJFSIS-UHFFFAOYSA-N 0 3 424.386 1.642 20 0 HDADHN COC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 ZINC000733197924 1076003087 /nfs/dbraw/zinc/00/30/87/1076003087.db2.gz VQQPIOVHTQXDHQ-TXRMIHFUSA-N 0 3 421.563 1.490 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN([C@@H](C)CS(C)(=O)=O)C3CC3)cc2)CC1 ZINC000733311719 1076036687 /nfs/dbraw/zinc/03/66/87/1076036687.db2.gz UXONERDVOMZTOQ-KRWDZBQOSA-N 0 3 422.595 1.665 20 0 HDADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NCC(=O)N1CCc2sccc2C1 ZINC001082652179 1076061751 /nfs/dbraw/zinc/06/17/51/1076061751.db2.gz JIVJHWUTOLOWSF-LKOUITPSSA-N 0 3 415.559 1.493 20 0 HDADHN O=C(OCCCN1C(=O)CNC1=O)C1CCN(c2ccccc2Br)C1=O ZINC000733455053 1076073299 /nfs/dbraw/zinc/07/32/99/1076073299.db2.gz LMKCVQTWGAPJJC-NSHDSACASA-N 0 3 424.251 1.287 20 0 HDADHN CCN1CCN(C(=O)[C@H](C)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)CC1 ZINC000727323746 1076093222 /nfs/dbraw/zinc/09/32/22/1076093222.db2.gz YUBUDILRYXARDQ-INIZCTEOSA-N 0 3 416.522 1.618 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)COC(=O)COC[C@@H]3CCCO3)cc2)CC1 ZINC000733590819 1076119165 /nfs/dbraw/zinc/11/91/65/1076119165.db2.gz ANIRJJFWHVNWDE-IBGZPJMESA-N 0 3 405.495 1.506 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1)N1CCCCC1 ZINC000727614930 1076184194 /nfs/dbraw/zinc/18/41/94/1076184194.db2.gz DRSGFMKGMVXDFS-LLVKDONJSA-N 0 3 403.451 1.297 20 0 HDADHN CC(C)N(CCN(C(=S)NC1CCOCC1)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000727782640 1076234191 /nfs/dbraw/zinc/23/41/91/1076234191.db2.gz BFLZXFLJHWCVRV-KRWDZBQOSA-N 0 3 405.630 1.648 20 0 HDADHN Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccc3oc(=O)n(CCN(C)C)c3c1)CO2 ZINC000531922736 1076237832 /nfs/dbraw/zinc/23/78/32/1076237832.db2.gz LXXXBKIBTBDUEO-INIZCTEOSA-N 0 3 424.457 1.653 20 0 HDADHN CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)CC2)c(F)c1 ZINC000733886466 1076240262 /nfs/dbraw/zinc/24/02/62/1076240262.db2.gz DHVRWESFUZAQDN-KRWDZBQOSA-N 0 3 404.486 1.087 20 0 HDADHN COc1cc(CN2CCC3(CNC(=O)C3)CC2)ccc1OCC(=O)N1CCOCC1 ZINC000536679772 1076256980 /nfs/dbraw/zinc/25/69/80/1076256980.db2.gz MRTRJTWOSJICBF-UHFFFAOYSA-N 0 3 417.506 1.035 20 0 HDADHN O=C(CN1CCC(CN2CCOCC2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000727833448 1076264537 /nfs/dbraw/zinc/26/45/37/1076264537.db2.gz URLIYWPPCAPWLO-UHFFFAOYSA-N 0 3 402.539 1.506 20 0 HDADHN COCCN1CCC[C@@H]1CNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000727838894 1076266555 /nfs/dbraw/zinc/26/65/55/1076266555.db2.gz SWEBZOZZKMMRIK-HUUCEWRRSA-N 0 3 404.964 1.405 20 0 HDADHN CCn1c(=O)c2ccccc2n(CC(=O)NC[C@H]2CCCN2Cc2ccccc2)c1=O ZINC000734106190 1076308425 /nfs/dbraw/zinc/30/84/25/1076308425.db2.gz QOHDXLWOHFFQPB-LJQANCHMSA-N 0 3 420.513 1.964 20 0 HDADHN Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CCC[C@@H](C3OCCO3)C2)CC1 ZINC000728053530 1076320714 /nfs/dbraw/zinc/32/07/14/1076320714.db2.gz NUBWJDOQLHMDOA-GOSISDBHSA-N 0 3 415.534 1.801 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000730217916 1076479585 /nfs/dbraw/zinc/47/95/85/1076479585.db2.gz ZMCQMOVVTQORDW-YJBOKZPZSA-N 0 3 404.486 1.238 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC1 ZINC000730218771 1076480044 /nfs/dbraw/zinc/48/00/44/1076480044.db2.gz PLAYUBWAROUWLM-LJQANCHMSA-N 0 3 411.506 1.106 20 0 HDADHN CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000730219208 1076480421 /nfs/dbraw/zinc/48/04/21/1076480421.db2.gz WKPHYIYBTPSJHC-GJZGRUSLSA-N 0 3 412.556 1.237 20 0 HDADHN CCN1C(=O)c2ccc(C(=O)N(CCN(C)C)Cc3ccccn3)cc2S1(=O)=O ZINC000730548237 1076598704 /nfs/dbraw/zinc/59/87/04/1076598704.db2.gz WQFNPHIZKHTJEC-UHFFFAOYSA-N 0 3 416.503 1.450 20 0 HDADHN COCCN1CC[C@@H](NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC000730790108 1076659444 /nfs/dbraw/zinc/65/94/44/1076659444.db2.gz WBEJNXXYFASCAZ-CYBMUJFWSA-N 0 3 408.549 1.765 20 0 HDADHN CN(CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C[C@@H]1CCCOC1 ZINC000730808618 1076665163 /nfs/dbraw/zinc/66/51/63/1076665163.db2.gz PHZQRGMNFAQXJC-WKSDAVQWSA-N 0 3 421.563 1.490 20 0 HDADHN COCCOC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000730918017 1076691538 /nfs/dbraw/zinc/69/15/38/1076691538.db2.gz BITBWURKONGNCB-GOSISDBHSA-N 0 3 418.494 1.907 20 0 HDADHN O=C(Nc1cc(N2CCCC2=O)ccc1F)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000730917884 1076692087 /nfs/dbraw/zinc/69/20/87/1076692087.db2.gz AAIZKVHBVOEUTC-INIZCTEOSA-N 0 3 402.470 1.978 20 0 HDADHN O=C(Nc1cccc(CN2CCOC2=O)c1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000730921405 1076693795 /nfs/dbraw/zinc/69/37/95/1076693795.db2.gz SOEGEXFYWJKNOU-SFHVURJKSA-N 0 3 400.479 1.664 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000731008128 1076710129 /nfs/dbraw/zinc/71/01/29/1076710129.db2.gz YVZFBMXACMMWFO-OAHLLOKOSA-N 0 3 415.531 1.743 20 0 HDADHN CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cn1 ZINC000731134218 1076737044 /nfs/dbraw/zinc/73/70/44/1076737044.db2.gz KRAUSQWEBLVINP-OAHLLOKOSA-N 0 3 403.483 1.968 20 0 HDADHN CC1(C)CN(C2(CNC(=S)NCCCN3CCOCC3)CCCCC2)CCO1 ZINC000731160199 1076739693 /nfs/dbraw/zinc/73/96/93/1076739693.db2.gz TZDKTDARLZUJBV-UHFFFAOYSA-N 0 3 412.644 1.987 20 0 HDADHN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2NCCO[C@H]2C1 ZINC001164389689 718822347 /nfs/dbraw/zinc/82/23/47/718822347.db2.gz JFBZONRJRNIIOG-STQMWFEESA-N 0 3 402.829 1.809 20 0 HDADHN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2NCCO[C@H]2C1 ZINC001164389685 718822505 /nfs/dbraw/zinc/82/25/05/718822505.db2.gz JFBZONRJRNIIOG-OLZOCXBDSA-N 0 3 402.829 1.809 20 0 HDADHN COc1cccc(-c2cc(C(F)(F)N3CCNC(=O)C34CNC4)c(Cl)nn2)c1 ZINC001164413931 718879313 /nfs/dbraw/zinc/87/93/13/718879313.db2.gz OLVDDBVQAZILKI-UHFFFAOYSA-N 0 3 409.824 1.629 20 0 HDADHN COCCN1CCN(C)C2(CCN(c3ncccc3CN3CCCC3)CC2)C1=O ZINC001164644323 719284780 /nfs/dbraw/zinc/28/47/80/719284780.db2.gz IOGDXIDFECZSHM-UHFFFAOYSA-N 0 3 401.555 1.437 20 0 HDADHN CCOC(=O)c1cc2cccnc2nc1N1CCC2(CCCN2CC(=O)NC)CC1 ZINC001164687420 719717917 /nfs/dbraw/zinc/71/79/17/719717917.db2.gz XAQPDEKZLOVDKV-UHFFFAOYSA-N 0 3 411.506 1.987 20 0 HDADHN CNC(=O)CN1CCCC12CCN(c1ncnc3c1ncn3-c1ccccc1)CC2 ZINC001164689901 719750202 /nfs/dbraw/zinc/75/02/02/719750202.db2.gz OFVSOJRNFFHRFN-UHFFFAOYSA-N 0 3 405.506 1.996 20 0 HDADHN CN(C)Cc1ccnc(N2CC[C@@H]3C[C@@H](C(=O)NCCc4ccccn4)O[C@H]3C2)c1 ZINC001164701492 719820307 /nfs/dbraw/zinc/82/03/07/719820307.db2.gz PMQLAUNLSCJLBJ-GIVPXCGWSA-N 0 3 409.534 1.881 20 0 HDADHN c1cncc(CN2CC[C@H]3[C@@H]2CCN3c2nc3c(c(N4CCOCC4)n2)CNC3)c1 ZINC001164735401 720426877 /nfs/dbraw/zinc/42/68/77/720426877.db2.gz XAAUZBKOTRNRGA-PMACEKPBSA-N 0 3 407.522 1.165 20 0 HDADHN CCOC(=O)c1c[nH]c2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164740797 720650649 /nfs/dbraw/zinc/65/06/49/720650649.db2.gz JAIRURCOLNXXQO-UONOGXRCSA-N 0 3 409.450 1.267 20 0 HDADHN Cc1cc(NC(=O)c2cccnc2N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)no1 ZINC001164743424 720756475 /nfs/dbraw/zinc/75/64/75/720756475.db2.gz QBZBCVIGIAJPHJ-CVEARBPZSA-N 0 3 421.461 1.762 20 0 HDADHN COc1cc(OC)c2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164744929 720804524 /nfs/dbraw/zinc/80/45/24/720804524.db2.gz JTDIOPFQIUBEPC-ZBFHGGJFSA-N 0 3 408.462 1.779 20 0 HDADHN CS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)N3CC3CC3)C2)nc1 ZINC001164743532 720843150 /nfs/dbraw/zinc/84/31/50/720843150.db2.gz IYEHJVBLLKSJPP-JENIJYKNSA-N 0 3 416.551 1.456 20 0 HDADHN CN1CCN(c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)CC1 ZINC001164867055 721051822 /nfs/dbraw/zinc/05/18/22/721051822.db2.gz HDVBQNQHCSURJD-PMACEKPBSA-N 0 3 409.538 1.103 20 0 HDADHN COC(=O)c1nc2cnccc2c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865230 721103604 /nfs/dbraw/zinc/10/36/04/721103604.db2.gz JQVQDWZYJDKHQC-DLBZAZTESA-N 0 3 420.473 1.686 20 0 HDADHN COC(=O)c1cc2cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2n1C ZINC001164871520 721134443 /nfs/dbraw/zinc/13/44/43/721134443.db2.gz FFKCRHWOBZDWNZ-QZTJIDSGSA-N 0 3 422.489 1.630 20 0 HDADHN COC(=O)c1nc2cnccc2c(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164773932 721153306 /nfs/dbraw/zinc/15/33/06/721153306.db2.gz ZIDWQZQZYPCESR-HZPDHXFCSA-N 0 3 407.478 1.503 20 0 HDADHN COC(=O)c1nc(Cl)cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164880666 721168194 /nfs/dbraw/zinc/16/81/94/721168194.db2.gz WVFLZYDNJFVJMG-CABCVRRESA-N 0 3 403.870 1.791 20 0 HDADHN COC(=O)c1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)cc1OC ZINC001164890964 721388625 /nfs/dbraw/zinc/38/86/25/721388625.db2.gz PPWBPSJBPIWIPI-VGOFRKELSA-N 0 3 418.538 1.642 20 0 HDADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccnc(N5CCOCC5)n4)C3)O2)CC1 ZINC001164887088 721422093 /nfs/dbraw/zinc/42/20/93/721422093.db2.gz KWDOWOBWIPGWER-KNQAVFIVSA-N 0 3 416.570 1.079 20 0 HDADHN CNS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164906903 721552651 /nfs/dbraw/zinc/55/26/51/721552651.db2.gz LJQBAOHGRASTBG-RDJZCZTQSA-N 0 3 406.483 1.471 20 0 HDADHN CCNS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164908683 721553722 /nfs/dbraw/zinc/55/37/22/721553722.db2.gz RQZZAQQPWVQXCC-AEFFLSMTSA-N 0 3 420.510 1.861 20 0 HDADHN Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4ncccc4CN4CCCC4)CC[C@@H]23)cn1 ZINC001164958730 722032433 /nfs/dbraw/zinc/03/24/33/722032433.db2.gz PQJIWFTYCDCCBE-HBMCJLEFSA-N 0 3 424.549 1.682 20 0 HDADHN CN(Cc1ccc(N2C[C@H](NC(=O)c3nccn3C)[C@@H]3OCCC[C@H]32)nc1)C1CC1 ZINC001164973626 722093567 /nfs/dbraw/zinc/09/35/67/722093567.db2.gz BHDQDHCRPDHIFP-NSHGMRRFSA-N 0 3 410.522 1.576 20 0 HDADHN NC(=O)c1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164986097 722102195 /nfs/dbraw/zinc/10/21/95/722102195.db2.gz XYUPVCGRKIBSCU-WBVHZDCISA-N 0 3 401.898 1.956 20 0 HDADHN CON(C)C(=O)c1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982044 722133089 /nfs/dbraw/zinc/13/30/89/722133089.db2.gz QUQLBFWLPGSIGC-UYAOXDASSA-N 0 3 411.506 1.837 20 0 HDADHN CN(Cc1ccc(N2C[C@@H]3CN(C(=O)c4cccn4C)CCO[C@@H]3C2)nc1)C1CC1 ZINC001165003349 722244495 /nfs/dbraw/zinc/24/44/95/722244495.db2.gz KDRRARPYVVLSNE-GHTZIAJQSA-N 0 3 409.534 1.992 20 0 HDADHN CN(Cc1ccc(N2C[C@@H]3CN(C(=O)c4cccn4C)CCO[C@H]3C2)nc1)C1CC1 ZINC001165003352 722244742 /nfs/dbraw/zinc/24/47/42/722244742.db2.gz KDRRARPYVVLSNE-RXVVDRJESA-N 0 3 409.534 1.992 20 0 HDADHN COCC(=O)NC1CCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)CC1 ZINC000673640545 1073470947 /nfs/dbraw/zinc/47/09/47/1073470947.db2.gz SIUJZZGOPICSLB-UHFFFAOYSA-N 0 3 402.539 1.261 20 0 HDADHN CN(C)CCN1C[C@H](C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1=O ZINC000673646006 1073511623 /nfs/dbraw/zinc/51/16/23/1073511623.db2.gz RUZGJHQZZLEIIE-WOPDTQHZSA-N 0 3 403.367 1.986 20 0 HDADHN O=C(NCc1cccc(C(=O)N2CCOCC2)c1)NC[C@H]1CCCCN1C1CC1 ZINC000429104102 1073589019 /nfs/dbraw/zinc/58/90/19/1073589019.db2.gz PCJKRGDIMKVZGB-HXUWFJFHSA-N 0 3 400.523 1.975 20 0 HDADHN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000673665116 1073618904 /nfs/dbraw/zinc/61/89/04/1073618904.db2.gz CFGXUMRYBMBPTG-UXHICEINSA-N 0 3 406.571 1.426 20 0 HDADHN C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000673716691 1073648641 /nfs/dbraw/zinc/64/86/41/1073648641.db2.gz YVJHCMCFSKNYOR-VQIMIIECSA-N 0 3 416.547 1.867 20 0 HDADHN CN(Cc1ccccc1)[C@@H]1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000673715622 1073653648 /nfs/dbraw/zinc/65/36/48/1073653648.db2.gz HSGXVTYDDFMEEQ-GOSISDBHSA-N 0 3 402.520 1.479 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1 ZINC000429117888 1073671792 /nfs/dbraw/zinc/67/17/92/1073671792.db2.gz WABYNNNOZMSZOH-INIZCTEOSA-N 0 3 405.543 1.792 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000673749645 1073684403 /nfs/dbraw/zinc/68/44/03/1073684403.db2.gz DWFCNCAVUUHJQZ-GOSISDBHSA-N 0 3 416.547 1.873 20 0 HDADHN CCN(CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)C[C@@H]1CCOC1 ZINC000673755097 1073690204 /nfs/dbraw/zinc/69/02/04/1073690204.db2.gz RXQXOQSJUBMFES-FQEVSTJZSA-N 0 3 416.566 1.745 20 0 HDADHN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000673750729 1073694139 /nfs/dbraw/zinc/69/41/39/1073694139.db2.gz FEBWKSBYQUBXPJ-XLIONFOSSA-N 0 3 400.523 1.237 20 0 HDADHN Cc1c(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)nnn1Cc1ccncc1 ZINC000509139434 1073707572 /nfs/dbraw/zinc/70/75/72/1073707572.db2.gz NUUGEUDMESVBSH-CALCHBBNSA-N 0 3 412.538 1.991 20 0 HDADHN CCN1CCN(CCNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000509151817 1073755862 /nfs/dbraw/zinc/75/58/62/1073755862.db2.gz IJQYLKADQMLRSZ-HNNXBMFYSA-N 0 3 409.328 1.629 20 0 HDADHN CN(CCCN1CCN(C)CC1)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000429143473 1073771773 /nfs/dbraw/zinc/77/17/73/1073771773.db2.gz PTYVMCQJWICLHR-UHFFFAOYSA-N 0 3 416.975 1.522 20 0 HDADHN C[C@H](NC[C@@H](c1cccs1)N1CCOCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000216380209 1073793017 /nfs/dbraw/zinc/79/30/17/1073793017.db2.gz WRXUQGLEHNPQMD-YOEHRIQHSA-N 0 3 402.520 1.837 20 0 HDADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000466540859 1073796301 /nfs/dbraw/zinc/79/63/01/1073796301.db2.gz HNOFVQUIQPQVAU-GOSISDBHSA-N 0 3 406.490 1.710 20 0 HDADHN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000673839855 1073804729 /nfs/dbraw/zinc/80/47/29/1073804729.db2.gz HDODZXYCFAVNQN-LEWJYISDSA-N 0 3 404.530 1.313 20 0 HDADHN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000673839900 1073805212 /nfs/dbraw/zinc/80/52/12/1073805212.db2.gz IENDJQSAOGFNBO-VXKWHMMOSA-N 0 3 418.557 1.703 20 0 HDADHN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000673839898 1073805585 /nfs/dbraw/zinc/80/55/85/1073805585.db2.gz IENDJQSAOGFNBO-FCHUYYIVSA-N 0 3 418.557 1.703 20 0 HDADHN CN(CCN1CCN(C(=O)[C@@H]2CCCN2c2ncccn2)CC1)Cc1ccccc1 ZINC000673835977 1073811620 /nfs/dbraw/zinc/81/16/20/1073811620.db2.gz OCZQZJJFADBUJH-NRFANRHFSA-N 0 3 408.550 1.722 20 0 HDADHN C[C@@H](NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000543496527 1073857300 /nfs/dbraw/zinc/85/73/00/1073857300.db2.gz RFFRSPMMVASALU-GHMZBOCLSA-N 0 3 412.412 1.650 20 0 HDADHN Cc1cc(C(=O)NCc2ccccc2CN2CCC(O)CC2)ccc1-n1cnnn1 ZINC000673941955 1073916891 /nfs/dbraw/zinc/91/68/91/1073916891.db2.gz MBLCOAAIFRHETM-UHFFFAOYSA-N 0 3 406.490 1.857 20 0 HDADHN COCCCOc1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000509183663 1073969199 /nfs/dbraw/zinc/96/91/99/1073969199.db2.gz KGSRJWMADFUZGE-FQEVSTJZSA-N 0 3 418.538 1.550 20 0 HDADHN CN1CCN([C@H](C(=O)N2CCC[C@@H](N3CCOCC3)CC2)c2ccccc2)CC1 ZINC000670443959 1073990158 /nfs/dbraw/zinc/99/01/58/1073990158.db2.gz YJCJXTPOICXKBO-YADHBBJMSA-N 0 3 400.567 1.688 20 0 HDADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000543524432 1073998410 /nfs/dbraw/zinc/99/84/10/1073998410.db2.gz OEXZFRFIWLTJGC-OAHLLOKOSA-N 0 3 422.551 1.328 20 0 HDADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000543524431 1073998437 /nfs/dbraw/zinc/99/84/37/1073998437.db2.gz OEXZFRFIWLTJGC-HNNXBMFYSA-N 0 3 422.551 1.328 20 0 HDADHN CNC(=O)N[C@@H]1CCN(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000466594052 1074048958 /nfs/dbraw/zinc/04/89/58/1074048958.db2.gz WPNLUMKVDHYFCM-MOPGFXCFSA-N 0 3 402.543 1.078 20 0 HDADHN CCc1ccc([C@H](CNC(=O)NCCNS(=O)(=O)Cc2ccon2)N(C)C)cc1 ZINC000429199427 1074068290 /nfs/dbraw/zinc/06/82/90/1074068290.db2.gz BPVHSICRLOMOPD-SFHVURJKSA-N 0 3 423.539 1.259 20 0 HDADHN CC(C)(CNC(=O)NCCCCN1CCN(c2ccccc2)CC1)S(C)(=O)=O ZINC000674030258 1074089555 /nfs/dbraw/zinc/08/95/55/1074089555.db2.gz ZLAJBPBSBBRCBZ-UHFFFAOYSA-N 0 3 410.584 1.711 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)CC1 ZINC000509208054 1074112360 /nfs/dbraw/zinc/11/23/60/1074112360.db2.gz CXVZAAGJLKDPJV-UHFFFAOYSA-N 0 3 419.526 1.172 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@](C)(O)CSc1cccc(F)c1 ZINC000509210755 1074133624 /nfs/dbraw/zinc/13/36/24/1074133624.db2.gz LKNDFOIERPEAPV-PXNSSMCTSA-N 0 3 411.543 1.728 20 0 HDADHN C[C@H](NCC[S@](=O)C(C)(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766055888 1074150213 /nfs/dbraw/zinc/15/02/13/1074150213.db2.gz YFZBWUFVANQIKJ-RZFZLAGVSA-N 0 3 424.610 1.610 20 0 HDADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@@H](n4ccnc4)C3)cc2)CC1 ZINC000674202065 1074216555 /nfs/dbraw/zinc/21/65/55/1074216555.db2.gz LBNUAYYTZRTLQF-OAQYLSRUSA-N 0 3 424.549 1.823 20 0 HDADHN CN1CC[C@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)[C@H]1c1ccccc1 ZINC000429224610 1074245872 /nfs/dbraw/zinc/24/58/72/1074245872.db2.gz YJPKBDGWXOEELV-IFXJQAMLSA-N 0 3 408.462 1.944 20 0 HDADHN COC1CCN(CCNC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000674309752 1074268038 /nfs/dbraw/zinc/26/80/38/1074268038.db2.gz KTHXELJNZIQOAE-QZTJIDSGSA-N 0 3 409.527 1.195 20 0 HDADHN CCN(CC)S(=O)(=O)c1ccc(NC(=O)NCCN2CCC(OC)CC2)cc1 ZINC000674313497 1074270088 /nfs/dbraw/zinc/27/00/88/1074270088.db2.gz FSQTXQDKWOXDHU-UHFFFAOYSA-N 0 3 412.556 1.949 20 0 HDADHN COC1CCN(CCNC(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)CC1 ZINC000674327003 1074276436 /nfs/dbraw/zinc/27/64/36/1074276436.db2.gz JBKSBBDSFBHHPF-UHFFFAOYSA-N 0 3 419.522 1.874 20 0 HDADHN COC1CCN(CCNC(=O)NCc2ccccc2N2CCN(C(C)=O)CC2)CC1 ZINC000674329232 1074277568 /nfs/dbraw/zinc/27/75/68/1074277568.db2.gz ZKLHGHQMURDMBN-UHFFFAOYSA-N 0 3 417.554 1.265 20 0 HDADHN COC1CCN(CCNC(=O)N[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)CC1 ZINC000674329372 1074285237 /nfs/dbraw/zinc/28/52/37/1074285237.db2.gz XAUAZMDITKTGLU-INIZCTEOSA-N 0 3 418.538 1.815 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)CC1 ZINC000674357919 1074291137 /nfs/dbraw/zinc/29/11/37/1074291137.db2.gz FQGSVULEDCCNIT-IBGZPJMESA-N 0 3 412.465 1.531 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1=O ZINC000674433613 1074332314 /nfs/dbraw/zinc/33/23/14/1074332314.db2.gz OOWNNBBYECCFBN-FGSXEWAUSA-N 0 3 413.522 1.671 20 0 HDADHN COC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000674479742 1074379255 /nfs/dbraw/zinc/37/92/55/1074379255.db2.gz VDLFUDUBIXHINF-OALUTQOASA-N 0 3 416.522 1.429 20 0 HDADHN C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)c1nc(C(F)(F)F)cs1 ZINC000674577075 1074453082 /nfs/dbraw/zinc/45/30/82/1074453082.db2.gz PAODUHHSTNNWOM-NWDGAFQWSA-N 0 3 422.473 1.908 20 0 HDADHN CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000674639673 1074500101 /nfs/dbraw/zinc/50/01/01/1074500101.db2.gz XNTHEEWVNHOWDV-IERDGZPVSA-N 0 3 419.501 1.619 20 0 HDADHN CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000674639674 1074500133 /nfs/dbraw/zinc/50/01/33/1074500133.db2.gz XNTHEEWVNHOWDV-IIBYNOLFSA-N 0 3 419.501 1.619 20 0 HDADHN O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000674887996 1074604358 /nfs/dbraw/zinc/60/43/58/1074604358.db2.gz OGMWNCSVAZBYGX-SFHVURJKSA-N 0 3 412.465 1.575 20 0 HDADHN CN1CCN(Cc2ccc(CNC(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000674917482 1074614156 /nfs/dbraw/zinc/61/41/56/1074614156.db2.gz KTKPFSOCSRRZBC-NHCUHLMSSA-N 0 3 402.539 1.523 20 0 HDADHN Cc1c(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cccc1N1CCOC1=O ZINC000766086337 1074658457 /nfs/dbraw/zinc/65/84/57/1074658457.db2.gz JWWQGOVJQGVFKF-GOSISDBHSA-N 0 3 415.494 1.722 20 0 HDADHN O=C(Nc1cnn(CCO)c1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000674994657 1074669250 /nfs/dbraw/zinc/66/92/50/1074669250.db2.gz TVUCFDCXLVQHPW-UHFFFAOYSA-N 0 3 403.508 1.044 20 0 HDADHN Cc1cc(NC(=O)C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)nn1C ZINC000439498261 1074687945 /nfs/dbraw/zinc/68/79/45/1074687945.db2.gz WXSHSGLCRPFCCU-UHFFFAOYSA-N 0 3 411.428 2.276 20 0 HDADHN CCN1C(=O)[C@H]2CN(C(=O)NC[C@H](c3ccc(C)cc3)N3CCCC3)CCN2C1=O ZINC000675096239 1074709030 /nfs/dbraw/zinc/70/90/30/1074709030.db2.gz WYAWCBCGCRLGND-RTBURBONSA-N 0 3 413.522 1.810 20 0 HDADHN CC[C@@H](CNC(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)N1CCc2ccccc2C1 ZINC000675088033 1074711434 /nfs/dbraw/zinc/71/14/34/1074711434.db2.gz VWFZZSUBPAZJOU-OALUTQOASA-N 0 3 413.522 1.501 20 0 HDADHN CCN1C(=O)[C@@H]2CN(C(=O)NCC(C)(C)N3CCc4ccccc4C3)CCN2C1=O ZINC000675089892 1074712416 /nfs/dbraw/zinc/71/24/16/1074712416.db2.gz YXXWIYUYIRDZGI-SFHVURJKSA-N 0 3 413.522 1.501 20 0 HDADHN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN[C@H]1Cc2cccc(O)c2C1 ZINC000429323447 1074757719 /nfs/dbraw/zinc/75/77/19/1074757719.db2.gz WIJKIHADPXAKLO-JXFKEZNVSA-N 0 3 407.470 1.831 20 0 HDADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675304898 1074793527 /nfs/dbraw/zinc/79/35/27/1074793527.db2.gz HTKZTVGXKVUBFI-SJLPKXTDSA-N 0 3 420.941 1.942 20 0 HDADHN Cc1cc(NC(=O)C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)nn1C ZINC000555276481 1074796505 /nfs/dbraw/zinc/79/65/05/1074796505.db2.gz YAABQRSFOGUFGN-QGZVFWFLSA-N 0 3 407.478 1.949 20 0 HDADHN CCCCn1c(N)c(N(CC)C(=O)CN[C@H]2Cc3cccc(O)c3C2)c(=O)[nH]c1=O ZINC000429245845 1074816559 /nfs/dbraw/zinc/81/65/59/1074816559.db2.gz DPXNMNLTROXOOW-AWEZNQCLSA-N 0 3 415.494 1.147 20 0 HDADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H](C)O1 ZINC000670503104 1074819668 /nfs/dbraw/zinc/81/96/68/1074819668.db2.gz CJWTUBUTEHRECS-RMVXJAJNSA-N 0 3 416.566 1.506 20 0 HDADHN CCCC[C@H](NCc1ccc(CS(=O)(=O)NC)cc1)C(=O)Nc1cc(C)on1 ZINC000645079647 1075105712 /nfs/dbraw/zinc/10/57/12/1075105712.db2.gz GRXTZEWONUTPNX-KRWDZBQOSA-N 0 3 408.524 2.319 20 0 HDADHN C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)n1 ZINC000675405485 1075131344 /nfs/dbraw/zinc/13/13/44/1075131344.db2.gz QBGJUEINEILHJJ-MGPUTAFESA-N 0 3 401.536 1.984 20 0 HDADHN C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000675406720 1075133380 /nfs/dbraw/zinc/13/33/80/1075133380.db2.gz CXBALDUDZLFHMY-NVXWUHKLSA-N 0 3 416.522 1.254 20 0 HDADHN COCCCN(C)CCNC(=O)C(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000540744015 1075137298 /nfs/dbraw/zinc/13/72/98/1075137298.db2.gz DDJSGMGRVYXMMZ-UHFFFAOYSA-N 0 3 407.902 1.857 20 0 HDADHN COCCN1CCC(NC(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)CC1 ZINC000143657454 1075143021 /nfs/dbraw/zinc/14/30/21/1075143021.db2.gz DBRREYJAXLUMJX-GJZGRUSLSA-N 0 3 411.572 1.985 20 0 HDADHN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(CS(C)(=O)=O)CC1 ZINC000429253656 1075151466 /nfs/dbraw/zinc/15/14/66/1075151466.db2.gz KTXBLOATNDNPEL-FXAWDEMLSA-N 0 3 407.580 1.522 20 0 HDADHN COc1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CCCN(C)C2)N2CCCCC2)cc1 ZINC000670527673 1075151489 /nfs/dbraw/zinc/15/14/89/1075151489.db2.gz WBRROWLNDZZMAA-AZUAARDMSA-N 0 3 402.539 1.549 20 0 HDADHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(CS(C)(=O)=O)CC1 ZINC000429253659 1075152186 /nfs/dbraw/zinc/15/21/86/1075152186.db2.gz KTXBLOATNDNPEL-YLJYHZDGSA-N 0 3 407.580 1.522 20 0 HDADHN CC(=O)NCCc1ccc(S(=O)(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)s1 ZINC000675469892 1075164597 /nfs/dbraw/zinc/16/45/97/1075164597.db2.gz PSMORKGUALGGHZ-OAHLLOKOSA-N 0 3 423.560 1.945 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)c2ccccc2O1 ZINC000675512410 1075190331 /nfs/dbraw/zinc/19/03/31/1075190331.db2.gz NZBJOILMZIWJFI-MRXNPFEDSA-N 0 3 421.494 1.850 20 0 HDADHN CCN(CC)S(=O)(=O)c1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000675536792 1075194193 /nfs/dbraw/zinc/19/41/93/1075194193.db2.gz ILTQBMQASCKQCX-GOSISDBHSA-N 0 3 409.552 1.700 20 0 HDADHN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000675537202 1075194329 /nfs/dbraw/zinc/19/43/29/1075194329.db2.gz ZPOGEVUWCTWJAI-KRWDZBQOSA-N 0 3 407.536 1.419 20 0 HDADHN CCN(CC)S(=O)(=O)c1cccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000675538495 1075195152 /nfs/dbraw/zinc/19/51/52/1075195152.db2.gz HQCQLPRPVKMLSV-GOSISDBHSA-N 0 3 409.552 1.700 20 0 HDADHN CCOc1ccc(C(=O)NCC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1OCC ZINC000675538508 1075195587 /nfs/dbraw/zinc/19/55/87/1075195587.db2.gz IPLXYJNZVIOUNW-GOSISDBHSA-N 0 3 419.522 1.583 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000675539172 1075195633 /nfs/dbraw/zinc/19/56/33/1075195633.db2.gz YGJORYAPJFNUPY-MJGOQNOKSA-N 0 3 421.563 1.457 20 0 HDADHN CN1CCN(CCCNC(=O)C(=O)Nc2cnn(CC3CC3)c2)[C@@H](c2ccccc2)C1 ZINC000675586265 1075215243 /nfs/dbraw/zinc/21/52/43/1075215243.db2.gz OYVFQDOCFDBOII-OAQYLSRUSA-N 0 3 424.549 1.727 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)Nc3cnn(CC4CC4)c3)cc2)CC1 ZINC000675585837 1075215781 /nfs/dbraw/zinc/21/57/81/1075215781.db2.gz FJVQXNUBHOFAOA-UHFFFAOYSA-N 0 3 424.549 1.686 20 0 HDADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000483952783 1075227156 /nfs/dbraw/zinc/22/71/56/1075227156.db2.gz HVUZCLFNPGQVGV-MRXNPFEDSA-N 0 3 404.902 1.909 20 0 HDADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1 ZINC000675595215 1075232718 /nfs/dbraw/zinc/23/27/18/1075232718.db2.gz KLPGOADGSUNPEH-PMACEKPBSA-N 0 3 411.506 1.734 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)Nc2ccn(C(C)C)n2)CC1 ZINC000483567644 1075232951 /nfs/dbraw/zinc/23/29/51/1075232951.db2.gz YOWJPUWUIRWCOY-UHFFFAOYSA-N 0 3 412.538 1.856 20 0 HDADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000441991668 1075237629 /nfs/dbraw/zinc/23/76/29/1075237629.db2.gz ZKRXAABZZVRKLS-SJORKVTESA-N 0 3 416.913 2.004 20 0 HDADHN CN(C(=O)CCNS(=O)(=O)c1cccnc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470676607 1075256062 /nfs/dbraw/zinc/25/60/62/1075256062.db2.gz DSRHJCCWXMHRBL-IBGZPJMESA-N 0 3 416.547 1.873 20 0 HDADHN C[C@H](NCCN1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1Br ZINC000675816960 1075276691 /nfs/dbraw/zinc/27/66/91/1075276691.db2.gz IQJRDZJFUYHBEY-LBPRGKRZSA-N 0 3 408.337 1.816 20 0 HDADHN COC[C@H](NCCN1CCN(S(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000675819550 1075276961 /nfs/dbraw/zinc/27/69/61/1075276961.db2.gz OMLUOFLYGPYYNN-INIZCTEOSA-N 0 3 409.474 1.560 20 0 HDADHN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000675848591 1075278197 /nfs/dbraw/zinc/27/81/97/1075278197.db2.gz ONFAZSMFONFCIU-GDBMZVCRSA-N 0 3 402.520 1.623 20 0 HDADHN CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1 ZINC001129073494 1075278324 /nfs/dbraw/zinc/27/83/24/1075278324.db2.gz GSFXNVAQWXJTLT-RLLQIKCJSA-N 0 3 419.547 1.595 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CCN(c3nccs3)CC2)CC1 ZINC000466703359 1075283536 /nfs/dbraw/zinc/28/35/36/1075283536.db2.gz NSQDYHQTFDNKTA-MRXNPFEDSA-N 0 3 406.556 1.060 20 0 HDADHN Cc1c([C@H](C)N[C@@H]2CCN(CCN3CCOCC3)C2)nnn1-c1ccc(F)cc1 ZINC000675885462 1075289150 /nfs/dbraw/zinc/28/91/50/1075289150.db2.gz BDKADIQWHHMCGU-QFBILLFUSA-N 0 3 402.518 1.772 20 0 HDADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1nc2cc(Cl)ccc2n1C ZINC000675946128 1075304743 /nfs/dbraw/zinc/30/47/43/1075304743.db2.gz RVCFORZSDDDVAN-OAHLLOKOSA-N 0 3 421.929 1.412 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2c(F)c(F)cc(F)c2F)CC1 ZINC000676000723 1075321439 /nfs/dbraw/zinc/32/14/39/1075321439.db2.gz FNJAAKQBFRPKLO-AWEZNQCLSA-N 0 3 402.392 1.691 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000676022128 1075327524 /nfs/dbraw/zinc/32/75/24/1075327524.db2.gz UHUBNRKECMJTML-GOSISDBHSA-N 0 3 407.559 1.116 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@]1(O)CCCc2ccccc21 ZINC000731404343 1075331142 /nfs/dbraw/zinc/33/11/42/1075331142.db2.gz ARYNTAZETRDGIN-DENIHFKCSA-N 0 3 402.539 1.452 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000676044868 1075339514 /nfs/dbraw/zinc/33/95/14/1075339514.db2.gz LPWYJWGSLVHNPW-INIZCTEOSA-N 0 3 403.433 1.909 20 0 HDADHN Cc1ccccc1[C@H](CN1CCOCC1)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000676075687 1075343499 /nfs/dbraw/zinc/34/34/99/1075343499.db2.gz JYKFUTFJMQSKFB-CTNGQTDRSA-N 0 3 424.611 1.619 20 0 HDADHN CCN1CCN(c2ccc(C(=O)N3CC[C@H](C(=O)OC)C[C@@H]3C(=O)OC)cc2)CC1 ZINC000509381679 1075347650 /nfs/dbraw/zinc/34/76/50/1075347650.db2.gz WZKPGBPPLOTUBT-PKOBYXMFSA-N 0 3 417.506 1.395 20 0 HDADHN COc1cc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)cc(OC)c1OCC(N)=O ZINC000731468181 1075358116 /nfs/dbraw/zinc/35/81/16/1075358116.db2.gz URZSCKJTHYXKTH-INIZCTEOSA-N 0 3 413.474 1.701 20 0 HDADHN O=C(Nc1cnn(-c2ccncc2)c1)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000676091157 1075377033 /nfs/dbraw/zinc/37/70/33/1075377033.db2.gz BRNZRDNBYJCDAF-UHFFFAOYSA-N 0 3 405.462 1.382 20 0 HDADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000804089285 1075384440 /nfs/dbraw/zinc/38/44/40/1075384440.db2.gz VQJXTVJZINSFRJ-DLBZAZTESA-N 0 3 412.575 1.985 20 0 HDADHN Cc1cccc(N2CCN(CCCCNC(=O)N[C@H](C)[C@@H]3CN(C)CCO3)CC2)c1 ZINC000676243166 1075444127 /nfs/dbraw/zinc/44/41/27/1075444127.db2.gz JVKFDXUZKQNUCC-IRLDBZIGSA-N 0 3 417.598 1.916 20 0 HDADHN C[C@H]1CN(C(=O)NC2CCN(c3nccs3)CC2)CC[C@H]1N1CCN(C)CC1 ZINC000466721485 1075452654 /nfs/dbraw/zinc/45/26/54/1075452654.db2.gz YUAUXTJXFFVXKP-FUHWJXTLSA-N 0 3 406.600 1.779 20 0 HDADHN COc1cccc(Cc2nnc(NC(=O)NC[C@H](C)CN3CCN(C)CC3)s2)c1 ZINC000466150823 1075477445 /nfs/dbraw/zinc/47/74/45/1075477445.db2.gz VOLRIEAPWPVGSR-HNNXBMFYSA-N 0 3 418.567 2.143 20 0 HDADHN CC[C@H](C)N[C@H](CNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccco1 ZINC000558374313 1075486303 /nfs/dbraw/zinc/48/63/03/1075486303.db2.gz VDMLYBBJWNXILP-JKSUJKDBSA-N 0 3 418.498 1.586 20 0 HDADHN CCN(CC)[C@@H](CNC(=O)N1CCN(CC(=O)N(C)C)CC1)c1cccc(OC)c1 ZINC000676289228 1075491096 /nfs/dbraw/zinc/49/10/96/1075491096.db2.gz WUVJNNNJDGKPPS-FQEVSTJZSA-N 0 3 419.570 1.494 20 0 HDADHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000676341363 1075514394 /nfs/dbraw/zinc/51/43/94/1075514394.db2.gz PKDQOWXEAJDHQV-GOSISDBHSA-N 0 3 409.552 1.341 20 0 HDADHN Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1C ZINC000676342221 1075514857 /nfs/dbraw/zinc/51/48/57/1075514857.db2.gz DZEZXQIEGUNKLY-SFHVURJKSA-N 0 3 409.552 1.341 20 0 HDADHN C[C@H]1Cc2cc(C(=O)NC3CCN([C@H]4CCOC4)CC3)ccc2N1S(C)(=O)=O ZINC000676344210 1075516707 /nfs/dbraw/zinc/51/67/07/1075516707.db2.gz JILFIWWQYATPIN-KSSFIOAISA-N 0 3 407.536 1.380 20 0 HDADHN COc1ccc([C@@H]2[C@@H](C(=O)NC3CCN([C@H]4CCOC4)CC3)CC(=O)N2C)cc1 ZINC000676344170 1075516738 /nfs/dbraw/zinc/51/67/38/1075516738.db2.gz IJSIJZMGMBWNMV-HFSMHLIXSA-N 0 3 401.507 1.584 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000676343714 1075517476 /nfs/dbraw/zinc/51/74/76/1075517476.db2.gz WBICTRNLIFNXAI-ZWKOTPCHSA-N 0 3 415.490 1.180 20 0 HDADHN COc1ccc([C@@H]2[C@H](C(=O)NC3CCN([C@@H]4CCOC4)CC3)CCC(=O)N2C)cc1 ZINC000676345882 1075519172 /nfs/dbraw/zinc/51/91/72/1075519172.db2.gz WESJRVXOHPCERK-SYYKKAFVSA-N 0 3 415.534 1.974 20 0 HDADHN COc1cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)ccc1OCC(=O)NC(C)C ZINC000676345376 1075519509 /nfs/dbraw/zinc/51/95/09/1075519509.db2.gz ZMFUQOGQSRUFAP-GOSISDBHSA-N 0 3 419.522 1.582 20 0 HDADHN CCN1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)cc2)CC1 ZINC000731781545 1075522198 /nfs/dbraw/zinc/52/21/98/1075522198.db2.gz WCOYZERIOQBIBY-UHFFFAOYSA-N 0 3 416.503 1.960 20 0 HDADHN Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccccc3N3CC[NH+](C)CC3)cc12 ZINC000731780365 1075522252 /nfs/dbraw/zinc/52/22/52/1075522252.db2.gz AGZXLYUAEPDTNA-UHFFFAOYSA-N 0 3 400.508 1.829 20 0 HDADHN CO[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000946905443 1075522967 /nfs/dbraw/zinc/52/29/67/1075522967.db2.gz HTKNBFVROCFXTE-RACLHMPKSA-N 0 3 401.507 1.271 20 0 HDADHN C[NH+]1CCN(c2ccccc2[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000731782480 1075523000 /nfs/dbraw/zinc/52/30/00/1075523000.db2.gz RPHFHFAZMNEZET-UHFFFAOYSA-N 0 3 409.533 1.643 20 0 HDADHN COc1cc(CN[C@H]2CC(=O)N3CCCC[C@@H]23)ccc1OCC(=O)N1CCCC1 ZINC000509408812 1075528824 /nfs/dbraw/zinc/52/88/24/1075528824.db2.gz BMFWWSMUMWKZIB-ROUUACIJSA-N 0 3 401.507 1.939 20 0 HDADHN COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)c1 ZINC000731851155 1075533796 /nfs/dbraw/zinc/53/37/96/1075533796.db2.gz JHQXUVOJBUPVFX-XVJNWHFHSA-N 0 3 412.508 1.605 20 0 HDADHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000731885101 1075555102 /nfs/dbraw/zinc/55/51/02/1075555102.db2.gz JWCFORPASMYLPA-UHFFFAOYSA-N 0 3 407.458 1.690 20 0 HDADHN C[C@@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)c1nc2ccccc2s1 ZINC000804163890 1075567802 /nfs/dbraw/zinc/56/78/02/1075567802.db2.gz FGWBXYHPQOYRFU-OAHLLOKOSA-N 0 3 403.552 1.569 20 0 HDADHN CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)CCO2 ZINC000676505162 1075571356 /nfs/dbraw/zinc/57/13/56/1075571356.db2.gz OQPNAJWXHOWHPQ-LJQANCHMSA-N 0 3 418.538 1.121 20 0 HDADHN CCN(CCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000804257248 1075572125 /nfs/dbraw/zinc/57/21/25/1075572125.db2.gz VBYCGBIUKBXUCG-UHFFFAOYSA-N 0 3 410.559 1.837 20 0 HDADHN COCCN(C(=O)CN1CC[C@@H](CC(C)C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000466733187 1075578615 /nfs/dbraw/zinc/57/86/15/1075578615.db2.gz QJMALJNAESJYRQ-INIZCTEOSA-N 0 3 423.558 1.535 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)/C=C\c2cncc(C(=O)NC)c2)CC1 ZINC000731971440 1075580076 /nfs/dbraw/zinc/58/00/76/1075580076.db2.gz AZOVVOYGDHXKHU-HJWRWDBZSA-N 0 3 421.545 1.908 20 0 HDADHN CNC(=O)c1cncc(/C=C/C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c1 ZINC000731974913 1075581234 /nfs/dbraw/zinc/58/12/34/1075581234.db2.gz JPWFUOLHKITNJR-AATRIKPKSA-N 0 3 421.501 1.790 20 0 HDADHN CN(C(=O)C(=O)Nc1cc(C(C)(C)C)on1)C1CCN(CCc2ccccn2)CC1 ZINC000438869180 1075584105 /nfs/dbraw/zinc/58/41/05/1075584105.db2.gz YKPZZRGOUAFMLZ-UHFFFAOYSA-N 0 3 413.522 2.471 20 0 HDADHN CN(CC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1)C(=O)OC(C)(C)C ZINC000732113315 1075635548 /nfs/dbraw/zinc/63/55/48/1075635548.db2.gz RKIOUIFWKXZFPL-UHFFFAOYSA-N 0 3 418.538 1.995 20 0 HDADHN CC1CCN([C@@H](CNC(=O)c2cc(S(N)(=O)=O)cn2C)c2cccs2)CC1 ZINC000027575017 1075663085 /nfs/dbraw/zinc/66/30/85/1075663085.db2.gz SODVCYOLZGIPKN-INIZCTEOSA-N 0 3 410.565 1.937 20 0 HDADHN COCc1ncc(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)c(N)n1 ZINC000498871534 1075674095 /nfs/dbraw/zinc/67/40/95/1075674095.db2.gz JMUMCVRLGCBWEG-MRXNPFEDSA-N 0 3 412.494 1.624 20 0 HDADHN CN(C)C1(CNC(=O)C(=O)N[C@H]2CCc3ccccc3OC2)Cc2ccccc2C1 ZINC000506431096 1075675625 /nfs/dbraw/zinc/67/56/25/1075675625.db2.gz TXVPPGHKBKONGB-FQEVSTJZSA-N 0 3 407.514 1.712 20 0 HDADHN COc1ccc(OC)c([C@H](O)CN2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 ZINC000732204396 1075676131 /nfs/dbraw/zinc/67/61/31/1075676131.db2.gz VDUOSQKZZXFZHN-HXUWFJFHSA-N 0 3 405.539 1.613 20 0 HDADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000444513726 1075722747 /nfs/dbraw/zinc/72/27/47/1075722747.db2.gz ZZSFWPHFFYWSDI-UHFFFAOYSA-N 0 3 415.391 1.955 20 0 HDADHN CN(C)CCN1C[C@@H](C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)CC1=O ZINC000427199028 1075724068 /nfs/dbraw/zinc/72/40/68/1075724068.db2.gz JMTJFYFMOJPBPW-LBPRGKRZSA-N 0 3 410.400 1.635 20 0 HDADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1 ZINC000509440982 1075724582 /nfs/dbraw/zinc/72/45/82/1075724582.db2.gz IFVPQQQTGWWVPX-HXUWFJFHSA-N 0 3 417.598 1.360 20 0 HDADHN CN1CC[C@@H]2CCN(C(=O)NC[C@H]3CCN(S(=O)(=O)c4cccs4)C3)[C@@H]2C1 ZINC000509258845 1075729074 /nfs/dbraw/zinc/72/90/74/1075729074.db2.gz POHXPVIOYXIMJD-BZUAXINKSA-N 0 3 412.581 1.494 20 0 HDADHN O=C(NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000509258032 1075734281 /nfs/dbraw/zinc/73/42/81/1075734281.db2.gz WWESPPRKXIXOAM-CVEARBPZSA-N 0 3 410.565 1.414 20 0 HDADHN CC(C)CN(CCN(C)C)C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509258462 1075738968 /nfs/dbraw/zinc/73/89/68/1075738968.db2.gz ZRYYWJKBPMRVRZ-INIZCTEOSA-N 0 3 416.613 1.988 20 0 HDADHN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588704166 1075748661 /nfs/dbraw/zinc/74/86/61/1075748661.db2.gz LGRVHUUMOZENRT-ZIAGYGMSSA-N 0 3 415.542 1.214 20 0 HDADHN C[C@H](NC(=O)Nc1ccn(CCN2CCOCC2)n1)[C@@H](c1ccccc1)N(C)C ZINC000562218265 1075769905 /nfs/dbraw/zinc/76/99/05/1075769905.db2.gz RMKAOVYHPLKPPN-PXNSSMCTSA-N 0 3 400.527 2.028 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cc(-c3ccccc3F)on2)CC1 ZINC000434075969 1075789809 /nfs/dbraw/zinc/78/98/09/1075789809.db2.gz DYMAJCJVPOUAJD-MRXNPFEDSA-N 0 3 401.442 2.251 20 0 HDADHN C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC3CCS(=O)(=O)CC3)cc2)C1 ZINC000463145135 1075800958 /nfs/dbraw/zinc/80/09/58/1075800958.db2.gz RWMAEVRVQSAWHR-HNNXBMFYSA-N 0 3 400.566 1.774 20 0 HDADHN CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@H](NC2CCS(=O)(=O)CC2)C1=O ZINC000463282173 1075801918 /nfs/dbraw/zinc/80/19/18/1075801918.db2.gz QMEGPCLXDMAJGL-ROUUACIJSA-N 0 3 422.547 1.837 20 0 HDADHN COC(=O)c1c(C)cccc1S(=O)(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000611025938 1075813005 /nfs/dbraw/zinc/81/30/05/1075813005.db2.gz PXXFUVNNQAGBNB-QGZVFWFLSA-N 0 3 409.552 1.571 20 0 HDADHN CCOC(=O)CC[C@@H]1CCCN([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000611038052 1075818187 /nfs/dbraw/zinc/81/81/87/1075818187.db2.gz IRMZDRXNAPEQTK-MSOLQXFVSA-N 0 3 403.527 1.569 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CC1 ZINC000732656804 1075818584 /nfs/dbraw/zinc/81/85/84/1075818584.db2.gz BOSZFXOMNKBNMW-SFHVURJKSA-N 0 3 408.449 1.470 20 0 HDADHN CCOC(=O)CC[C@H]1CCCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000611037598 1075818634 /nfs/dbraw/zinc/81/86/34/1075818634.db2.gz XYIVFSWZSSPKDU-QGZVFWFLSA-N 0 3 405.495 1.619 20 0 HDADHN CNC(=O)Cn1nc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1C ZINC000503996432 1075819123 /nfs/dbraw/zinc/81/91/23/1075819123.db2.gz DYAXWDGTCBEIGD-UHFFFAOYSA-N 0 3 408.453 1.811 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CC1 ZINC000732658867 1075819070 /nfs/dbraw/zinc/81/90/70/1075819070.db2.gz CYFGFPMCVRMKIY-QZTJIDSGSA-N 0 3 406.433 1.399 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000732659531 1075819206 /nfs/dbraw/zinc/81/92/06/1075819206.db2.gz SCLCVLRQLIIMAI-MSOLQXFVSA-N 0 3 408.449 1.517 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(c2ncccc2I)CC1 ZINC000611242511 1075882154 /nfs/dbraw/zinc/88/21/54/1075882154.db2.gz KWAHIFWCWPJODL-CYBMUJFWSA-N 0 3 400.264 1.605 20 0 HDADHN COCCOc1ccccc1NC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000611367526 1075914690 /nfs/dbraw/zinc/91/46/90/1075914690.db2.gz QSJHGMZSFXJKOC-GOSISDBHSA-N 0 3 418.538 1.277 20 0 HDADHN COC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c1C ZINC000611367726 1075914731 /nfs/dbraw/zinc/91/47/31/1075914731.db2.gz SZIDIJAMVZDHJY-QGZVFWFLSA-N 0 3 416.522 1.347 20 0 HDADHN Cc1cc(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)ccc1N1C(=O)CCC1=O ZINC000733048841 1075954586 /nfs/dbraw/zinc/95/45/86/1075954586.db2.gz PQLQEBYNUIQPJR-ZBFHGGJFSA-N 0 3 414.506 1.824 20 0 HDADHN CN1CCN(CCCCNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000733131442 1075980210 /nfs/dbraw/zinc/98/02/10/1075980210.db2.gz PFCKYEOAZBDQSI-PYCFMQQDSA-N 0 3 421.545 1.996 20 0 HDADHN CCCN(C)CC(=O)N1CCC2(CC1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2 ZINC001080640388 1075991130 /nfs/dbraw/zinc/99/11/30/1075991130.db2.gz AWISXRFJCOOUMS-IYWGDAJJSA-N 0 3 403.567 1.983 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)CC1 ZINC000733159572 1075993146 /nfs/dbraw/zinc/99/31/46/1075993146.db2.gz TUSJJKXRQSFYRR-HNNXBMFYSA-N 0 3 414.547 1.268 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000733170036 1076000433 /nfs/dbraw/zinc/00/04/33/1076000433.db2.gz IZIMIRSEVODOQQ-LSDHHAIUSA-N 0 3 408.465 1.540 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000733170038 1076000543 /nfs/dbraw/zinc/00/05/43/1076000543.db2.gz JAMFAPAZUOOMJK-AWEZNQCLSA-N 0 3 421.485 1.984 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000733171541 1076001448 /nfs/dbraw/zinc/00/14/48/1076001448.db2.gz YKJJGNCYKKLIMO-DYVFJYSZSA-N 0 3 422.517 1.981 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN(C)[C@H](C)CS(=O)(=O)CC)cc2)CC1 ZINC000733196004 1076001849 /nfs/dbraw/zinc/00/18/49/1076001849.db2.gz CSSWEDUNJYDSNO-QGZVFWFLSA-N 0 3 410.584 1.522 20 0 HDADHN COc1ccc([C@H](CO)N(C)CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000733195460 1076002063 /nfs/dbraw/zinc/00/20/63/1076002063.db2.gz OBQJGCOKPWPYJM-KRWDZBQOSA-N 0 3 418.494 1.336 20 0 HDADHN CCOc1ccc(NC(=O)CN[C@@H](CC)CO)cc1S(=O)(=O)N1CCCCC1 ZINC000727059122 1076035472 /nfs/dbraw/zinc/03/54/72/1076035472.db2.gz VFYZQWKCTDUHMD-HNNXBMFYSA-N 0 3 413.540 1.559 20 0 HDADHN O=C(OCCCN1C(=O)CNC1=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000733459962 1076074313 /nfs/dbraw/zinc/07/43/13/1076074313.db2.gz AMHKKPYUJTUGOM-NSHDSACASA-N 0 3 414.245 1.831 20 0 HDADHN Cc1cc(C(=O)NC2CCN(CN3C(=O)NC4(CCN(C)CC4)C3=O)CC2)c(C)o1 ZINC000727426765 1076127828 /nfs/dbraw/zinc/12/78/28/1076127828.db2.gz YTHCDQWDEGZPEG-UHFFFAOYSA-N 0 3 417.510 1.064 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](OC)C(F)(F)F)c(C)c2)CC1 ZINC000733672934 1076155571 /nfs/dbraw/zinc/15/55/71/1076155571.db2.gz BFDPNORIQMVPHS-MRXNPFEDSA-N 0 3 416.444 1.769 20 0 HDADHN CC(C)(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000527204355 1076197807 /nfs/dbraw/zinc/19/78/07/1076197807.db2.gz VSTDEUZBCIMGNO-INIZCTEOSA-N 0 3 407.536 1.894 20 0 HDADHN COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN(C)C(C3CC3)C3CC3)C2=O)c1 ZINC000733794063 1076214723 /nfs/dbraw/zinc/21/47/23/1076214723.db2.gz BSCGPSXCEWTBOJ-NRFANRHFSA-N 0 3 400.479 1.614 20 0 HDADHN C[C@@H](CNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)CN1CCN(C)CC1 ZINC000733882694 1076238067 /nfs/dbraw/zinc/23/80/67/1076238067.db2.gz VCKCNZHEYBIHIZ-ZDUSSCGKSA-N 0 3 407.458 1.593 20 0 HDADHN Cc1ccc(C2N=NC(=S)N2CC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000733882303 1076238564 /nfs/dbraw/zinc/23/85/64/1076238564.db2.gz GSKJOTGLPRNHMY-MRXNPFEDSA-N 0 3 402.568 1.542 20 0 HDADHN CC(C)CN(C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)C1CCN(C)CC1 ZINC000733882920 1076239238 /nfs/dbraw/zinc/23/92/38/1076239238.db2.gz YMBDIBCAQYMGLH-LJQANCHMSA-N 0 3 403.502 1.825 20 0 HDADHN CN1Cc2ccccc2[C@@H](NC(=O)NCCCCN2CCN(c3ncccn3)CC2)C1 ZINC000535266360 1076250518 /nfs/dbraw/zinc/25/05/18/1076250518.db2.gz QNMSQRVGJXKZLO-NRFANRHFSA-N 0 3 423.565 1.865 20 0 HDADHN CC(C)N1CCCN(C(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 ZINC000727805981 1076259284 /nfs/dbraw/zinc/25/92/84/1076259284.db2.gz HIUSJOXIAUHWSC-NHHWLVAYSA-N 0 3 412.534 1.732 20 0 HDADHN O=C(CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)NCc1ccccn1 ZINC000727829994 1076263638 /nfs/dbraw/zinc/26/36/38/1076263638.db2.gz QEJDAUKGAMLPJA-HXUWFJFHSA-N 0 3 408.550 1.627 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)COC(=O)CCN3CCCC3=O)cc2)CC1 ZINC000727911732 1076282128 /nfs/dbraw/zinc/28/21/28/1076282128.db2.gz AMZMYYFSVODJLL-UHFFFAOYSA-N 0 3 402.495 1.323 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN3CCCN(C(=O)C(C)C)CC3)cc2)CC1 ZINC000727931901 1076288709 /nfs/dbraw/zinc/28/87/09/1076288709.db2.gz SZDFUVLGYNVQKW-UHFFFAOYSA-N 0 3 415.582 1.957 20 0 HDADHN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000728073733 1076333570 /nfs/dbraw/zinc/33/35/70/1076333570.db2.gz XSWKVLCMRUKJQF-UFWNIKGBSA-N 0 3 410.584 1.303 20 0 HDADHN COc1cc(CN[C@H](C)c2ccc(-n3cncn3)cc2)cc(OC)c1OCC(N)=O ZINC000028311780 1076361065 /nfs/dbraw/zinc/36/10/65/1076361065.db2.gz YIMNFVBOVIORGM-CQSZACIVSA-N 0 3 411.462 1.999 20 0 HDADHN O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000730774080 1076650504 /nfs/dbraw/zinc/65/05/04/1076650504.db2.gz SJYVLSPJVYSGFZ-IKGGRYGDSA-N 0 3 420.897 1.524 20 0 HDADHN CN(C[C@@H]1CCCOC1)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000730803540 1076655325 /nfs/dbraw/zinc/65/53/25/1076655325.db2.gz JZHKACOUPXXKNM-SIKLNZKXSA-N 0 3 400.523 1.889 20 0 HDADHN NC(=O)CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000731190219 1076744109 /nfs/dbraw/zinc/74/41/09/1076744109.db2.gz GSDGNTRQVRWQGC-QGZVFWFLSA-N 0 3 409.490 1.538 20 0 HDADHN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1cc(Cl)nc2c1CCNC2 ZINC001164704424 719865363 /nfs/dbraw/zinc/86/53/63/719865363.db2.gz LXIKTTOUGXJPDG-VBKZILBWSA-N 0 3 408.930 1.613 20 0 HDADHN O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]21 ZINC001164698272 719885020 /nfs/dbraw/zinc/88/50/20/719885020.db2.gz FAPOSXFYSGCNDI-CEXWTWQISA-N 0 3 408.506 1.805 20 0 HDADHN CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@H](CCN2c2ncccc2CN2CCCC2)O1 ZINC001164721648 720324567 /nfs/dbraw/zinc/32/45/67/720324567.db2.gz CSLAIVLGPURRAU-ZCNNSNEGSA-N 0 3 402.539 1.909 20 0 HDADHN CON(C)C(=O)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164737600 720705365 /nfs/dbraw/zinc/70/53/65/720705365.db2.gz GNDVMCGPMIGJMX-HUUCEWRRSA-N 0 3 418.885 1.500 20 0 HDADHN Cc1nc2c(nc(Cl)nc2N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1C ZINC001164738662 720750923 /nfs/dbraw/zinc/75/09/23/720750923.db2.gz GNNOZUQNSLZFLM-QWHCGFSZSA-N 0 3 400.874 1.457 20 0 HDADHN O=C(NC[C@@H]1OC[C@H]2CCN(c3ncccc3CN3CCCC3)C[C@H]12)c1ccno1 ZINC001164854476 720914632 /nfs/dbraw/zinc/91/46/32/720914632.db2.gz FKWZYPAOSVBIQR-HBFSDRIKSA-N 0 3 411.506 1.937 20 0 HDADHN COC(OC)c1c(CO)ccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865931 721121180 /nfs/dbraw/zinc/12/11/80/721121180.db2.gz QAABBVWNWWAEEP-OALUTQOASA-N 0 3 414.506 1.740 20 0 HDADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)ncc4N4CCOCC4)C[C@H]3C2)cn1 ZINC001164764220 721138804 /nfs/dbraw/zinc/13/88/04/721138804.db2.gz HLFRDQMUBGRBQZ-DLBZAZTESA-N 0 3 417.945 1.658 20 0 HDADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(CN5C(=O)CCC5=O)cn4)C[C@@H]3C2)cn1 ZINC001164764306 721165339 /nfs/dbraw/zinc/16/53/39/721165339.db2.gz GZZSIYOBHSYUJQ-OALUTQOASA-N 0 3 408.506 1.422 20 0 HDADHN CCOC(=O)c1nc2ccn(C)c2c(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164767609 721180582 /nfs/dbraw/zinc/18/05/82/721180582.db2.gz KEOHYEMPSRRQQC-IAGOWNOFSA-N 0 3 423.521 1.837 20 0 HDADHN CC(C)NS(=O)(=O)c1ccc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164764062 721197118 /nfs/dbraw/zinc/19/71/18/721197118.db2.gz GCXAWGJJEYMPLE-ZWKOTPCHSA-N 0 3 418.567 1.460 20 0 HDADHN CCNS(=O)(=O)c1ccc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164771512 721197587 /nfs/dbraw/zinc/19/75/87/721197587.db2.gz QTEIFEGWGVKETG-IRXDYDNUSA-N 0 3 404.540 1.072 20 0 HDADHN O=C(NCc1cnc2n1CCN(c1ncccc1CN1CCCC1)C2)c1ccno1 ZINC001164763669 721269102 /nfs/dbraw/zinc/26/91/02/721269102.db2.gz DYSPZYSMNCQABW-UHFFFAOYSA-N 0 3 407.478 1.812 20 0 HDADHN O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ccc(CN2CCCC2)cn1)c1ccnnc1 ZINC001164880775 721323822 /nfs/dbraw/zinc/32/38/22/721323822.db2.gz ZCAZBFRAXFNXKA-RCZSKKKRSA-N 0 3 422.533 1.881 20 0 HDADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(N5CCOCC5)ncn4)C3)O2)CC1 ZINC001164890527 721387032 /nfs/dbraw/zinc/38/70/32/721387032.db2.gz NWTWOILWWWPSCH-SIKLNZKXSA-N 0 3 416.570 1.079 20 0 HDADHN Cc1cn(-c2ccc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)nn2)cn1 ZINC001164883728 721424266 /nfs/dbraw/zinc/42/42/66/721424266.db2.gz BXBLULRDWWZXAH-UGKGYDQZSA-N 0 3 411.554 1.736 20 0 HDADHN CN(Cc1cccnc1)[C@H]1CN(c2ccc(N3CCN(C)CC3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164801325 721530067 /nfs/dbraw/zinc/53/00/67/721530067.db2.gz DXJVDYGSFKGSGU-SXWKCWPCSA-N 0 3 423.565 1.492 20 0 HDADHN COC(=O)c1cc2c(ncnc2N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)[nH]1 ZINC001164802489 721535140 /nfs/dbraw/zinc/53/51/40/721535140.db2.gz GMNZUAPNLJGDPY-GBESFXJTSA-N 0 3 422.489 1.959 20 0 HDADHN CNC(=O)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164904749 721566327 /nfs/dbraw/zinc/56/63/27/721566327.db2.gz FNPYLYFUHGJTOW-DZGCQCFKSA-N 0 3 405.861 1.971 20 0 HDADHN COC(=O)c1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)ncc1N ZINC001164964739 722054454 /nfs/dbraw/zinc/05/44/54/722054454.db2.gz XNJYZQUPIVMVHE-UHFFFAOYSA-N 0 3 411.506 1.964 20 0 HDADHN NC(=O)c1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164986096 722101967 /nfs/dbraw/zinc/10/19/67/722101967.db2.gz XYUPVCGRKIBSCU-RDJZCZTQSA-N 0 3 401.898 1.956 20 0 HDADHN COC(=O)c1cc(OC)cnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978198 722108748 /nfs/dbraw/zinc/10/87/48/722108748.db2.gz NUNHYSQRMVVIOL-FXAWDEMLSA-N 0 3 412.490 1.999 20 0 HDADHN COC(=O)c1cc(OC)cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978202 722109330 /nfs/dbraw/zinc/10/93/30/722109330.db2.gz NUNHYSQRMVVIOL-XLIONFOSSA-N 0 3 412.490 1.999 20 0 HDADHN NC(=O)c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(C2CC2)n1 ZINC001164971694 722158448 /nfs/dbraw/zinc/15/84/48/722158448.db2.gz DACJLNKZOZZCOM-MJGOQNOKSA-N 0 3 408.506 1.575 20 0 HDADHN Cn1cccc1C(=O)N1CCO[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@@H]2C1 ZINC001165005158 722244325 /nfs/dbraw/zinc/24/43/25/722244325.db2.gz SMRFZWTVTLIZRG-FPOVZHCZSA-N 0 3 409.534 1.993 20 0 HDADHN c1cnc(N2CCOC[C@@]3(CN(c4ncccc4CN4CCCC4)CCO3)C2)nc1 ZINC001165002151 722247586 /nfs/dbraw/zinc/24/75/86/722247586.db2.gz XOYZHQNNGUXYPL-JOCHJYFZSA-N 0 3 410.522 1.580 20 0 HDADHN CN(C)CCN1C[C@H](C(=O)N2CCN(C(=O)c3cccc4ccccc43)CC2)CC1=O ZINC000673635054 1073455790 /nfs/dbraw/zinc/45/57/90/1073455790.db2.gz NFXPWHXDWVLXOL-LJQANCHMSA-N 0 3 422.529 1.534 20 0 HDADHN Cc1cccc(N2CCN(CCC(=O)NCc3nnnn3-c3ccccc3)CC2)c1 ZINC000673649535 1073536912 /nfs/dbraw/zinc/53/69/12/1073536912.db2.gz MXEMJWRDVDQNDG-UHFFFAOYSA-N 0 3 405.506 1.799 20 0 HDADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000671415436 1073566310 /nfs/dbraw/zinc/56/63/10/1073566310.db2.gz IEKAGFASRUHIKX-IBGZPJMESA-N 0 3 405.514 1.981 20 0 HDADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000509115700 1073573844 /nfs/dbraw/zinc/57/38/44/1073573844.db2.gz ZQTKQFOJABXGAU-MRXNPFEDSA-N 0 3 403.570 1.040 20 0 HDADHN NS(=O)(=O)Cc1cccc(CNC(=O)CCN2CCN(c3ccccc3)CC2)c1 ZINC000673657006 1073592042 /nfs/dbraw/zinc/59/20/42/1073592042.db2.gz XTPIJYFZWLMMCW-UHFFFAOYSA-N 0 3 416.547 1.304 20 0 HDADHN CN(C)CCN1C[C@@H](C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)CC1=O ZINC000673659538 1073608934 /nfs/dbraw/zinc/60/89/34/1073608934.db2.gz UNTMUOZRNIKTTR-SFHVURJKSA-N 0 3 411.506 1.853 20 0 HDADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1=O ZINC000673672594 1073626850 /nfs/dbraw/zinc/62/68/50/1073626850.db2.gz GETGBSGCDNICLK-HOCLYGCPSA-N 0 3 412.456 1.810 20 0 HDADHN O=C(CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[C@@H]2C1)NC1CCCC1 ZINC000946684901 1073677028 /nfs/dbraw/zinc/67/70/28/1073677028.db2.gz USHMWURZIPTUIQ-CBIDSMSBSA-N 0 3 401.551 1.639 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000673750381 1073693509 /nfs/dbraw/zinc/69/35/09/1073693509.db2.gz OASLRGJCTIFZAL-OAHLLOKOSA-N 0 3 424.505 1.418 20 0 HDADHN COCCN1CC[C@H](NC(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)C1 ZINC000429126029 1073713045 /nfs/dbraw/zinc/71/30/45/1073713045.db2.gz GYNTVJMGXYRFOF-SFHVURJKSA-N 0 3 404.511 1.780 20 0 HDADHN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000673839859 1073804396 /nfs/dbraw/zinc/80/43/96/1073804396.db2.gz HDODZXYCFAVNQN-NHCUHLMSSA-N 0 3 404.530 1.313 20 0 HDADHN C[C@@H](NC(=O)[C@H](c1ccccc1)N1CCN(C)CC1)C(=O)NCCN1CCCCC1 ZINC000670445091 1074000211 /nfs/dbraw/zinc/00/02/11/1074000211.db2.gz USHCQKMCGJEBLB-CTNGQTDRSA-N 0 3 415.582 1.082 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)NCC(C)(C)S(C)(=O)=O)cc2)CC1 ZINC000674033017 1074102676 /nfs/dbraw/zinc/10/26/76/1074102676.db2.gz RRDDYWFZWRENEK-UHFFFAOYSA-N 0 3 410.584 1.447 20 0 HDADHN NC(=O)[C@H]1CCCCC[C@H]1NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000466614440 1074113036 /nfs/dbraw/zinc/11/30/36/1074113036.db2.gz SEOONUKBPLVWRR-VQTJNVASSA-N 0 3 402.539 1.877 20 0 HDADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000674157510 1074195025 /nfs/dbraw/zinc/19/50/25/1074195025.db2.gz FVWIUOOSQFXQRW-RBUKOAKNSA-N 0 3 408.568 1.937 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)c1ccncc1 ZINC000674226474 1074233937 /nfs/dbraw/zinc/23/39/37/1074233937.db2.gz MNHKMLOQWGWGLS-AWEZNQCLSA-N 0 3 411.462 1.410 20 0 HDADHN COC1CCN(CCNC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000674310859 1074268554 /nfs/dbraw/zinc/26/85/54/1074268554.db2.gz RUEPTOGVWAVMNH-UHFFFAOYSA-N 0 3 423.579 1.631 20 0 HDADHN COC1CCN(CCNC(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)CC1 ZINC000674315139 1074270542 /nfs/dbraw/zinc/27/05/42/1074270542.db2.gz BENFPAXGGXJMSN-UHFFFAOYSA-N 0 3 403.527 1.307 20 0 HDADHN COC1CCN(CCNC(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000674324913 1074274310 /nfs/dbraw/zinc/27/43/10/1074274310.db2.gz SWUFKARIVCOTLD-UHFFFAOYSA-N 0 3 412.328 1.796 20 0 HDADHN COC1CCN(CCNC(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)CC1 ZINC000674325543 1074275837 /nfs/dbraw/zinc/27/58/37/1074275837.db2.gz VUABQOBJBAUISD-UHFFFAOYSA-N 0 3 400.527 1.665 20 0 HDADHN COc1ccc([C@@H]2[C@H](C(=O)NCCN3CCC(OC)CC3)CCC(=O)N2C)cc1 ZINC000674325297 1074275886 /nfs/dbraw/zinc/27/58/86/1074275886.db2.gz LDOJXHQDABFSCA-TZIWHRDSSA-N 0 3 403.523 1.832 20 0 HDADHN COC1CCN(CCNC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)CC1 ZINC000674326278 1074276203 /nfs/dbraw/zinc/27/62/03/1074276203.db2.gz BMRGUTXGRHLCIO-UHFFFAOYSA-N 0 3 417.554 1.500 20 0 HDADHN COC1CCN(CCNC(=O)NCc2nnc3ccc(C(F)(F)F)cn32)CC1 ZINC000674326722 1074276330 /nfs/dbraw/zinc/27/63/30/1074276330.db2.gz MRSNXCHIARFVPN-UHFFFAOYSA-N 0 3 400.405 1.658 20 0 HDADHN COC1CCN(CCNC(=O)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000674327306 1074276819 /nfs/dbraw/zinc/27/68/19/1074276819.db2.gz CRESYCCXMZLSSA-HNNXBMFYSA-N 0 3 412.556 1.408 20 0 HDADHN COC1CCN(CCNC(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)CC1 ZINC000674327583 1074277433 /nfs/dbraw/zinc/27/74/33/1074277433.db2.gz WKLXVARXKRCGIE-NRFANRHFSA-N 0 3 404.555 1.778 20 0 HDADHN COC1CCN(CCNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000674329378 1074285247 /nfs/dbraw/zinc/28/52/47/1074285247.db2.gz XGYXILYYIQJTKV-IRXDYDNUSA-N 0 3 405.543 1.605 20 0 HDADHN COC1CCN(CCNC(=O)N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)CC1 ZINC000674329373 1074285343 /nfs/dbraw/zinc/28/53/43/1074285343.db2.gz XAUAZMDITKTGLU-MRXNPFEDSA-N 0 3 418.538 1.815 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@@H]2CN[C@@H](C(N)=O)c2ccc(Br)cc2)C1=O ZINC000674412838 1074313500 /nfs/dbraw/zinc/31/35/00/1074313500.db2.gz TTWZWNSTZXBWJC-NDGTYSDOSA-N 0 3 409.284 1.286 20 0 HDADHN CC[C@H](CNC(=O)N(C)CCN1CCCS1(=O)=O)N1CCc2ccccc2C1 ZINC000674423941 1074326292 /nfs/dbraw/zinc/32/62/92/1074326292.db2.gz FFSIBEIFCSWAJM-LJQANCHMSA-N 0 3 408.568 1.500 20 0 HDADHN CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1=O ZINC000674437913 1074335561 /nfs/dbraw/zinc/33/55/61/1074335561.db2.gz FKPMTGJBOVXVLR-XMSQKQJNSA-N 0 3 413.522 1.624 20 0 HDADHN CCN1C(=O)[C@H]2CN(CCC(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000674473026 1074370590 /nfs/dbraw/zinc/37/05/90/1074370590.db2.gz RCFZNVITMSWIAI-CQSZACIVSA-N 0 3 409.284 1.746 20 0 HDADHN COC[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000674479744 1074379324 /nfs/dbraw/zinc/37/93/24/1074379324.db2.gz VDLFUDUBIXHINF-RBUKOAKNSA-N 0 3 416.522 1.429 20 0 HDADHN CC[C@H](CNS(C)(=O)=O)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001273134455 1074417766 /nfs/dbraw/zinc/41/77/66/1074417766.db2.gz RGKULZKDZZULCN-WBVHZDCISA-N 0 3 421.485 1.885 20 0 HDADHN C[C@H](C(=O)N(C)CCN1CCCS1(=O)=O)N1CCC(Cc2ccccc2)CC1 ZINC000674520706 1074417785 /nfs/dbraw/zinc/41/77/85/1074417785.db2.gz KMTYOAVYJYPGLE-GOSISDBHSA-N 0 3 407.580 1.824 20 0 HDADHN Cc1c(C(=O)NCC2(CS(C)(=O)=O)CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000674523212 1074418231 /nfs/dbraw/zinc/41/82/31/1074418231.db2.gz TVBIYZGAMXQLNV-UHFFFAOYSA-N 0 3 417.535 1.118 20 0 HDADHN CC[C@@H](CNS(C)(=O)=O)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001273134452 1074419023 /nfs/dbraw/zinc/41/90/23/1074419023.db2.gz RGKULZKDZZULCN-RDJZCZTQSA-N 0 3 421.485 1.885 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1=O ZINC000674617475 1074487116 /nfs/dbraw/zinc/48/71/16/1074487116.db2.gz ZBPFZYUEVGSWMT-AVYPCKFXSA-N 0 3 419.551 1.905 20 0 HDADHN COc1cc(CN2CC[C@@H](NC(=O)NCCN3CCC(OC)CC3)C2)cc(OC)c1 ZINC000674879444 1074600001 /nfs/dbraw/zinc/60/00/01/1074600001.db2.gz STEGQRGBYRIAPG-GOSISDBHSA-N 0 3 420.554 1.688 20 0 HDADHN C[C@H]1CN(CC(C)(C)O)CCN1CN1C(=O)c2ccc(Br)cc2C1=O ZINC000766088708 1074682615 /nfs/dbraw/zinc/68/26/15/1074682615.db2.gz OZXDVTLLHMCGDB-LBPRGKRZSA-N 0 3 410.312 1.780 20 0 HDADHN O=C(NCC1(N2CCSCC2)CCCC1)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000507223585 1074712604 /nfs/dbraw/zinc/71/26/04/1074712604.db2.gz ILXNLNOIWPNIGV-UHFFFAOYSA-N 0 3 414.535 1.684 20 0 HDADHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000466665035 1074726187 /nfs/dbraw/zinc/72/61/87/1074726187.db2.gz MYUWGHZOGGQGFY-CALCHBBNSA-N 0 3 409.552 1.338 20 0 HDADHN COc1ccc(C(C)(C)C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1OC ZINC000675137031 1074728488 /nfs/dbraw/zinc/72/84/88/1074728488.db2.gz MLDMQJORJQFBQW-QGZVFWFLSA-N 0 3 403.523 1.922 20 0 HDADHN COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)C1=O ZINC000675127681 1074733453 /nfs/dbraw/zinc/73/34/53/1074733453.db2.gz NMHCPYQANDVCDD-IRXDYDNUSA-N 0 3 416.522 1.153 20 0 HDADHN CNc1nc(N2CCC[C@@H](n3ccnc3)C2)nc(N2CCC[C@H](n3ccnc3)C2)n1 ZINC000675151133 1074738270 /nfs/dbraw/zinc/73/82/70/1074738270.db2.gz YWNNHDFXEXGUOT-CALCHBBNSA-N 0 3 408.514 1.411 20 0 HDADHN Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC(C)C)C2=O)cc1 ZINC000675152873 1074738390 /nfs/dbraw/zinc/73/83/90/1074738390.db2.gz UTFYLKHWIDWMKB-IBGZPJMESA-N 0 3 402.539 1.258 20 0 HDADHN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N(C)C)nn1CCCOc1ccc(F)cc1 ZINC000504112417 1074751016 /nfs/dbraw/zinc/75/10/16/1074751016.db2.gz UREMESWTAPCDLU-OAHLLOKOSA-N 0 3 405.474 1.805 20 0 HDADHN CC(C)(C)N1C[C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)CC1=O ZINC000429322282 1074754541 /nfs/dbraw/zinc/75/45/41/1074754541.db2.gz JSRFNCXWXIIIHJ-OTWHNJEPSA-N 0 3 402.539 1.568 20 0 HDADHN O=C(NCCNS(=O)(=O)Cc1ccon1)N1CCN(CC2CCCCC2)CC1 ZINC000429324718 1074763516 /nfs/dbraw/zinc/76/35/16/1074763516.db2.gz GDBIHPZXQYXHRW-UHFFFAOYSA-N 0 3 413.544 1.002 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)CC1 ZINC000675225003 1074763967 /nfs/dbraw/zinc/76/39/67/1074763967.db2.gz RIHVASGPPGTCLD-SFHVURJKSA-N 0 3 400.458 1.020 20 0 HDADHN CN(C)CCN1C[C@H](C(=O)N2CCc3c(F)cc(Br)cc3C2)CC1=O ZINC000675237548 1074769058 /nfs/dbraw/zinc/76/90/58/1074769058.db2.gz GAMUPHLACACQRY-CYBMUJFWSA-N 0 3 412.303 1.883 20 0 HDADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c(F)ccc(S(=O)(=O)[N-]C4CC4)c3F)CC[C@H]21 ZINC000766114330 1074821212 /nfs/dbraw/zinc/82/12/12/1074821212.db2.gz SLVHBECDDFHEAJ-IUODEOHRSA-N 0 3 413.490 1.962 20 0 HDADHN C[N@H+]1CCC[C@@H]2CN(C(=O)c3c(F)ccc(S(=O)(=O)[N-]C4CC4)c3F)CC[C@H]21 ZINC000766114330 1074821217 /nfs/dbraw/zinc/82/12/17/1074821217.db2.gz SLVHBECDDFHEAJ-IUODEOHRSA-N 0 3 413.490 1.962 20 0 HDADHN CCCN(CCN1CCCCC1)C(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000557631232 1075120319 /nfs/dbraw/zinc/12/03/19/1075120319.db2.gz SVBKMMBNXFFGSE-UHFFFAOYSA-N 0 3 402.499 2.107 20 0 HDADHN CC(=O)NCCc1ccc(S(=O)(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1 ZINC000675469987 1075164658 /nfs/dbraw/zinc/16/46/58/1075164658.db2.gz QPFLHCGXXMKWEQ-SFHVURJKSA-N 0 3 417.531 1.883 20 0 HDADHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c2ccccc2O1 ZINC000675471282 1075165033 /nfs/dbraw/zinc/16/50/33/1075165033.db2.gz YNXFPZDRWFIVFB-CYBMUJFWSA-N 0 3 415.471 1.430 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(Cc2nnnn2-c2ccc(OC(F)F)cc2)CC1 ZINC000766143497 1075169550 /nfs/dbraw/zinc/16/95/50/1075169550.db2.gz DTVHRJYGGKLZFA-INIZCTEOSA-N 0 3 421.452 1.002 20 0 HDADHN CS(=O)(=O)C1CCN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000675481247 1075171005 /nfs/dbraw/zinc/17/10/05/1075171005.db2.gz ZSVNYWSDIWWSAK-UHFFFAOYSA-N 0 3 422.595 1.807 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)c2ccccc2O1 ZINC000675490046 1075174954 /nfs/dbraw/zinc/17/49/54/1075174954.db2.gz NGIXZCPFWLDXFK-CQSZACIVSA-N 0 3 406.280 1.967 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c2ccccc2O1 ZINC000675491277 1075175204 /nfs/dbraw/zinc/17/52/04/1075175204.db2.gz ILCGYPCFCHZWRZ-INIZCTEOSA-N 0 3 414.506 1.939 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)c2ccccc2O1 ZINC000675491002 1075175613 /nfs/dbraw/zinc/17/56/13/1075175613.db2.gz HWUFEXXYFYKIFS-ROUUACIJSA-N 0 3 407.470 1.861 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)c2ccccc2O1 ZINC000675512466 1075191067 /nfs/dbraw/zinc/19/10/67/1075191067.db2.gz PKWWSPFEMSEROY-LLVKDONJSA-N 0 3 423.267 1.067 20 0 HDADHN C[C@@H](C(=O)NC1CCN([C@H]2CCOC2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000675538046 1075195182 /nfs/dbraw/zinc/19/51/82/1075195182.db2.gz PZQUUNUASKNUOH-UWJYYQICSA-N 0 3 404.530 1.706 20 0 HDADHN O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccco1 ZINC000675538804 1075196328 /nfs/dbraw/zinc/19/63/28/1075196328.db2.gz OXNSIDJOBOKCKH-PMACEKPBSA-N 0 3 411.502 1.990 20 0 HDADHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000578385474 1075227094 /nfs/dbraw/zinc/22/70/94/1075227094.db2.gz LVBSDVLSVJEODV-HNNXBMFYSA-N 0 3 415.460 2.009 20 0 HDADHN CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000675643076 1075246355 /nfs/dbraw/zinc/24/63/55/1075246355.db2.gz TVDFEPCTFYCKJG-IBGZPJMESA-N 0 3 409.552 1.644 20 0 HDADHN CCN(CC)S(=O)(=O)c1ccc(CNC2CCN(S(C)(=O)=O)CC2)s1 ZINC000675780645 1075267955 /nfs/dbraw/zinc/26/79/55/1075267955.db2.gz MKSVUUSGQNPREN-UHFFFAOYSA-N 0 3 409.599 1.292 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cnnn2-c2ccccc2Cl)CC1 ZINC000675918062 1075291542 /nfs/dbraw/zinc/29/15/42/1075291542.db2.gz NHLIRGBXHMFTNE-MRXNPFEDSA-N 0 3 402.886 1.299 20 0 HDADHN CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000675952599 1075313094 /nfs/dbraw/zinc/31/30/94/1075313094.db2.gz BOAPWFBIOCPWJI-UHFFFAOYSA-N 0 3 408.568 1.896 20 0 HDADHN CN(C)c1nccc(N2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)n1 ZINC000509375512 1075314979 /nfs/dbraw/zinc/31/49/79/1075314979.db2.gz WPPMEJLXVLVJPJ-UHFFFAOYSA-N 0 3 409.582 1.877 20 0 HDADHN CCOC(=O)c1cn(C)nc1NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000544254724 1075317576 /nfs/dbraw/zinc/31/75/76/1075317576.db2.gz RCIBJKMPASMJAT-HUUCEWRRSA-N 0 3 407.515 1.950 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2c(F)c(F)cc(F)c2F)CC1 ZINC000676000727 1075321379 /nfs/dbraw/zinc/32/13/79/1075321379.db2.gz FNJAAKQBFRPKLO-CQSZACIVSA-N 0 3 402.392 1.691 20 0 HDADHN Cc1c(C(=O)N2CCS[C@@H]3COCC[C@H]32)nnn1-c1cccc2c1CCN(C)C2 ZINC000676072616 1075342846 /nfs/dbraw/zinc/34/28/46/1075342846.db2.gz NFTFUZBDKVTPEG-RTBURBONSA-N 0 3 413.547 1.910 20 0 HDADHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)C1 ZINC000731466054 1075356892 /nfs/dbraw/zinc/35/68/92/1075356892.db2.gz PLBVQWPPGGATIZ-HOYKHHGWSA-N 0 3 418.497 1.899 20 0 HDADHN COC(=O)N1CCC[C@H](NC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)C1 ZINC000731473819 1075359573 /nfs/dbraw/zinc/35/95/73/1075359573.db2.gz BRFLXVYNRJKBGO-INIZCTEOSA-N 0 3 412.494 1.524 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 ZINC000509384853 1075375147 /nfs/dbraw/zinc/37/51/47/1075375147.db2.gz HTRLYKQFBKZXBC-GOSISDBHSA-N 0 3 405.543 1.612 20 0 HDADHN O=C(Nc1cnn(-c2ccncc2)c1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000676090328 1075375349 /nfs/dbraw/zinc/37/53/49/1075375349.db2.gz XWTQAHFLJPPFNV-SFHVURJKSA-N 0 3 404.474 1.987 20 0 HDADHN CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000804093763 1075393386 /nfs/dbraw/zinc/39/33/86/1075393386.db2.gz POEGQTHADIKTLL-IAGOWNOFSA-N 0 3 410.559 1.881 20 0 HDADHN CN1CCN(C(=O)CN[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC1 ZINC000429399092 1075411840 /nfs/dbraw/zinc/41/18/40/1075411840.db2.gz VZUZNMHEGAAUGG-SIKLNZKXSA-N 0 3 413.493 1.940 20 0 HDADHN CN(C)C(=O)CCN1CCC(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000731640509 1075442127 /nfs/dbraw/zinc/44/21/27/1075442127.db2.gz UGUWLZUQMBIEGG-UHFFFAOYSA-N 0 3 415.469 1.044 20 0 HDADHN Cc1cccc(N2CCN(CCCNC(=O)N[C@H](C)[C@@H]3CN(C)CCO3)CC2)c1 ZINC000676243648 1075445197 /nfs/dbraw/zinc/44/51/97/1075445197.db2.gz RGSVZQLRGCKOPZ-CTNGQTDRSA-N 0 3 403.571 1.525 20 0 HDADHN COc1ccc([C@@H](CN(C)C)NC(=O)CSCC(=O)Nc2cc(C)on2)cc1 ZINC000568423408 1075453639 /nfs/dbraw/zinc/45/36/39/1075453639.db2.gz RUKNSIOQYDVEEL-MRXNPFEDSA-N 0 3 406.508 2.082 20 0 HDADHN CCc1ccc([C@H](CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)N(C)C)cc1 ZINC000731755417 1075511564 /nfs/dbraw/zinc/51/15/64/1075511564.db2.gz NRZPLNYVLVJLOH-FQEVSTJZSA-N 0 3 424.611 1.660 20 0 HDADHN O=C(N[C@@H](Cc1cccnc1)C(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000676342731 1075516093 /nfs/dbraw/zinc/51/60/93/1075516093.db2.gz KXBKXCCMXJFFHI-YADHBBJMSA-N 0 3 422.529 1.792 20 0 HDADHN COc1nn(C)c2nc(C)c(CCC(=O)NC3CCN([C@@H]4CCOC4)CC3)c(C)c12 ZINC000676344222 1075516717 /nfs/dbraw/zinc/51/67/17/1075516717.db2.gz JLNRRBZIRKZCAR-QGZVFWFLSA-N 0 3 415.538 1.896 20 0 HDADHN Cc1ccc(S(=O)(=O)NCCCC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1C ZINC000676343762 1075517038 /nfs/dbraw/zinc/51/70/38/1075517038.db2.gz XTBDJNOUBXHIGV-LJQANCHMSA-N 0 3 423.579 1.731 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000676343712 1075517427 /nfs/dbraw/zinc/51/74/27/1075517427.db2.gz WBICTRNLIFNXAI-QZTJIDSGSA-N 0 3 415.490 1.180 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000676343513 1075517532 /nfs/dbraw/zinc/51/75/32/1075517532.db2.gz SDWOWUQHLWEYBJ-AWEZNQCLSA-N 0 3 410.400 1.664 20 0 HDADHN O=C(COc1ccccc1)N1CCC[C@@H](C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000676344894 1075518229 /nfs/dbraw/zinc/51/82/29/1075518229.db2.gz UNQUBPKOWAVRCX-UYAOXDASSA-N 0 3 415.534 1.674 20 0 HDADHN C[C@@H](C(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000676344630 1075518238 /nfs/dbraw/zinc/51/82/38/1075518238.db2.gz PYLGDJLWGVNIIR-QAPCUYQASA-N 0 3 409.552 1.410 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000676393101 1075541076 /nfs/dbraw/zinc/54/10/76/1075541076.db2.gz LOVBUYQGUKAVOY-NZSAHSFTSA-N 0 3 421.538 1.338 20 0 HDADHN Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(C)C2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000676451987 1075557422 /nfs/dbraw/zinc/55/74/22/1075557422.db2.gz LMVAOPPRUBCOHN-WOJBJXKFSA-N 0 3 424.549 1.787 20 0 HDADHN CN(C(=O)Nc1ccn(CCN2CCOCC2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474619337 1075588892 /nfs/dbraw/zinc/58/88/92/1075588892.db2.gz DXKYFKGOFSAQDU-FQEVSTJZSA-N 0 3 412.538 1.954 20 0 HDADHN CN(C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)[C@H]1CCN(C2CC2)C1 ZINC000732034690 1075592194 /nfs/dbraw/zinc/59/21/94/1075592194.db2.gz GGNXYTDBWRLWCN-AWEZNQCLSA-N 0 3 406.533 1.607 20 0 HDADHN Cn1c(NCC2(N3CCOC(C)(C)C3)CCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000539187969 1075593227 /nfs/dbraw/zinc/59/32/27/1075593227.db2.gz FWEGIOGNCGEOEJ-UHFFFAOYSA-N 0 3 404.515 1.598 20 0 HDADHN Cc1c(C(=O)NCCOc2ncccc2F)nnn1-c1cccc2c1CCN(C)C2 ZINC000676588320 1075606497 /nfs/dbraw/zinc/60/64/97/1075606497.db2.gz VRCLAILTXOVFGR-UHFFFAOYSA-N 0 3 410.453 1.907 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1 ZINC000676616064 1075617240 /nfs/dbraw/zinc/61/72/40/1075617240.db2.gz JAZADPMJSKBHHB-CQSZACIVSA-N 0 3 422.480 1.760 20 0 HDADHN COc1cccc([C@H](CNC(=O)Cc2c(C)nc3nc(N)nn3c2C)N2CCCC2)c1 ZINC000636952372 1075636491 /nfs/dbraw/zinc/63/64/91/1075636491.db2.gz DSRXVFAMYWUZKU-IBGZPJMESA-N 0 3 423.521 1.828 20 0 HDADHN Cc1nn(C)c2ncc(NC(=O)C(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)cc12 ZINC000676659495 1075640844 /nfs/dbraw/zinc/64/08/44/1075640844.db2.gz RETIENWYUSOEPP-HNNXBMFYSA-N 0 3 421.505 1.952 20 0 HDADHN COc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccncc3OC)CC2)n1 ZINC000483214452 1075641998 /nfs/dbraw/zinc/64/19/98/1075641998.db2.gz FBBVENSVTHGCFR-UHFFFAOYSA-N 0 3 422.493 1.354 20 0 HDADHN c1nc(N2CCN(C[C@H]3CCCO3)CC2)cc(N2CCN(C[C@@H]3CCCO3)CC2)n1 ZINC000676686504 1075647892 /nfs/dbraw/zinc/64/78/92/1075647892.db2.gz NEOJTLACKVNXKP-BGYRXZFFSA-N 0 3 416.570 1.079 20 0 HDADHN COc1cnccc1N1CCN(Cc2nc(N)nc(Nc3ccccc3C)n2)CC1 ZINC000483210095 1075648611 /nfs/dbraw/zinc/64/86/11/1075648611.db2.gz CSLDMXPZPVFUIM-UHFFFAOYSA-N 0 3 406.494 1.654 20 0 HDADHN CC1CCN([C@H](CNC(=O)c2cc(S(N)(=O)=O)cn2C)c2cccs2)CC1 ZINC000027575021 1075663065 /nfs/dbraw/zinc/66/30/65/1075663065.db2.gz SODVCYOLZGIPKN-MRXNPFEDSA-N 0 3 410.565 1.937 20 0 HDADHN C[C@H]1C[C@H]1N1C[C@H](NC(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)CC1=O ZINC000429461318 1075672693 /nfs/dbraw/zinc/67/26/93/1075672693.db2.gz IYCKKAHMMNSTBD-OCBLOMHFSA-N 0 3 406.571 1.917 20 0 HDADHN CCc1ccccc1Nc1nc(N)nc(CN2CCN(CC3CCOCC3)CC2)n1 ZINC000532978367 1075684675 /nfs/dbraw/zinc/68/46/75/1075684675.db2.gz FDRBCGVFYLXJBC-UHFFFAOYSA-N 0 3 411.554 1.726 20 0 HDADHN CS[C@H]1CN(C(=O)Nc2ccncc2I)C[C@H]1N(C)C ZINC000546839297 1075688466 /nfs/dbraw/zinc/68/84/66/1075688466.db2.gz MKELUAIZELJNAJ-NEPJUHHUSA-N 0 3 406.293 1.617 20 0 HDADHN CCNC(=O)c1cccc(CNC(=O)N2CCN(C(=O)CN(CC)CC)CC2)c1 ZINC000509439093 1075713785 /nfs/dbraw/zinc/71/37/85/1075713785.db2.gz VIJJKKYVEHVCAH-UHFFFAOYSA-N 0 3 403.527 1.132 20 0 HDADHN CC(=O)NCc1ccc(S(=O)(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000543689249 1075745739 /nfs/dbraw/zinc/74/57/39/1075745739.db2.gz OAZIFWKOVWPGRO-UHFFFAOYSA-N 0 3 422.595 1.361 20 0 HDADHN CN1CCN(Cc2ccc(CNC(=O)N3CCCC[C@@H]3C3OCCO3)cc2)CC1 ZINC000732445016 1075746551 /nfs/dbraw/zinc/74/65/51/1075746551.db2.gz WLJZBFWEUYDJIM-HXUWFJFHSA-N 0 3 402.539 1.871 20 0 HDADHN CC(C)(C)CCN1CCN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000502034933 1075752632 /nfs/dbraw/zinc/75/26/32/1075752632.db2.gz BWADWTNUDXQXJZ-UHFFFAOYSA-N 0 3 402.499 1.963 20 0 HDADHN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000543690195 1075762061 /nfs/dbraw/zinc/76/20/61/1075762061.db2.gz ZJEZCNKMDCPMOG-UHFFFAOYSA-N 0 3 423.579 1.902 20 0 HDADHN C[C@H]1CN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CCN(C2CCC2)C1 ZINC000551280928 1075803964 /nfs/dbraw/zinc/80/39/64/1075803964.db2.gz VUUQIWGJSYDGFT-QGZVFWFLSA-N 0 3 410.522 1.792 20 0 HDADHN CCc1cccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1CC ZINC000487866327 1075804899 /nfs/dbraw/zinc/80/48/99/1075804899.db2.gz CDOZPADFFVKRDT-LJQANCHMSA-N 0 3 402.539 1.809 20 0 HDADHN COC(=O)C1CCN(CCCNC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CC1 ZINC000732655519 1075817948 /nfs/dbraw/zinc/81/79/48/1075817948.db2.gz UHOCLINFKCCMSW-GOSISDBHSA-N 0 3 409.433 1.849 20 0 HDADHN CCOC(=O)Cn1cccc(NC(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c1=O ZINC000611097646 1075841684 /nfs/dbraw/zinc/84/16/84/1075841684.db2.gz RPXPGWRGQGDXSF-QGZVFWFLSA-N 0 3 419.526 1.044 20 0 HDADHN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000732742423 1075842930 /nfs/dbraw/zinc/84/29/30/1075842930.db2.gz LVWHLPBAUYVYTB-UHFFFAOYSA-N 0 3 413.478 1.593 20 0 HDADHN COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000611167757 1075866372 /nfs/dbraw/zinc/86/63/72/1075866372.db2.gz RSWPBAHOMPAVTF-UHFFFAOYSA-N 0 3 423.579 1.961 20 0 HDADHN COC(=O)c1ccc(S(=O)(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)cn1 ZINC000611278316 1075890392 /nfs/dbraw/zinc/89/03/92/1075890392.db2.gz UKAOIOZYOMJERP-UHFFFAOYSA-N 0 3 410.540 1.047 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000732887205 1075893270 /nfs/dbraw/zinc/89/32/70/1075893270.db2.gz HUMLDRCEHVDKCD-ZWKOTPCHSA-N 0 3 407.559 1.116 20 0 HDADHN COC(=O)C(C)(C)[C@H]1CCCN([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000611322317 1075900413 /nfs/dbraw/zinc/90/04/13/1075900413.db2.gz PPUJFEPFHQILGG-IRXDYDNUSA-N 0 3 403.527 1.425 20 0 HDADHN CC[C@@H](CNC(=O)N(CCO)CCN1CCOCC1)N1CCc2ccccc2C1 ZINC000489841308 1075934570 /nfs/dbraw/zinc/93/45/70/1075934570.db2.gz MKPOLBGRXIQOIC-NRFANRHFSA-N 0 3 404.555 1.159 20 0 HDADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000733029115 1075946734 /nfs/dbraw/zinc/94/67/34/1075946734.db2.gz IDPXZJOIADKVFI-UHFFFAOYSA-N 0 3 422.547 1.397 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC000733143018 1075975315 /nfs/dbraw/zinc/97/53/15/1075975315.db2.gz BXTAEJRDDBQQCH-JJOCEZFHSA-N 0 3 406.486 1.832 20 0 HDADHN C[C@@H]1CN(CCCc2nnnn2-c2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001080163608 1075983906 /nfs/dbraw/zinc/98/39/06/1075983906.db2.gz QVUAQBINZOGSJC-LFTGHYRXSA-N 0 3 422.533 1.455 20 0 HDADHN CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)[C@H](C1CC1)N(C)C ZINC001081101689 1076001847 /nfs/dbraw/zinc/00/18/47/1076001847.db2.gz LPVDIVYSGFKGHS-BCRJPVCJSA-N 0 3 403.567 1.837 20 0 HDADHN CCN(CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000733196145 1076002304 /nfs/dbraw/zinc/00/23/04/1076002304.db2.gz HFFYRTWUHNLZTO-GOSISDBHSA-N 0 3 424.611 1.912 20 0 HDADHN C[C@@H]1C[C@H](c2ccccc2)N(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000513261360 1076004780 /nfs/dbraw/zinc/00/47/80/1076004780.db2.gz MZDXGVQHDMUHMS-TZIWHRDSSA-N 0 3 414.550 1.073 20 0 HDADHN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H]3CN(C4CC4)C[C@H]3C)C2)no1 ZINC000514015421 1076015187 /nfs/dbraw/zinc/01/51/87/1076015187.db2.gz KJHBIAHWGPCUKX-XYPHTWIQSA-N 0 3 404.515 1.247 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc2)CC1 ZINC000733310534 1076036170 /nfs/dbraw/zinc/03/61/70/1076036170.db2.gz CBWPRKFUZNENKL-IRXDYDNUSA-N 0 3 410.584 1.520 20 0 HDADHN CCCN(C(=S)NCCNS(C)(=O)=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000727084321 1076040597 /nfs/dbraw/zinc/04/05/97/1076040597.db2.gz DJHYBUOXGRBUPD-SFHVURJKSA-N 0 3 412.625 1.787 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)Cn3c4ccccc4c(=O)[nH]c3=O)c(C)c2)CC1 ZINC000021465215 1076062848 /nfs/dbraw/zinc/06/28/48/1076062848.db2.gz DAVIFDWEEJYPST-UHFFFAOYSA-N 0 3 421.501 1.779 20 0 HDADHN O=C(OCCCN1C(=O)CNC1=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000733464014 1076081854 /nfs/dbraw/zinc/08/18/54/1076081854.db2.gz SJIYWNYJRUTXMN-LLVKDONJSA-N 0 3 414.245 1.831 20 0 HDADHN COC(=O)N1CCC[C@@H](NC(=O)N(C)C2CCN(CCc3ccccn3)CC2)C1 ZINC000727228870 1076085277 /nfs/dbraw/zinc/08/52/77/1076085277.db2.gz VSMMFOMJNZELLT-GOSISDBHSA-N 0 3 403.527 1.961 20 0 HDADHN COc1cc(CNCc2cccc(N3CCOC3=O)c2)cc(OC)c1OCC(N)=O ZINC000727469472 1076137035 /nfs/dbraw/zinc/13/70/35/1076137035.db2.gz UEHFBJMGUPYRMD-UHFFFAOYSA-N 0 3 415.446 1.814 20 0 HDADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000733671901 1076154189 /nfs/dbraw/zinc/15/41/89/1076154189.db2.gz YZKIPIPALXUKKJ-KRWDZBQOSA-N 0 3 406.502 1.982 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(F)c(NC(=O)OC)c2)CC1 ZINC000727610188 1076180076 /nfs/dbraw/zinc/18/00/76/1076180076.db2.gz LPVDKBZGZGIOPZ-CYBMUJFWSA-N 0 3 409.462 1.085 20 0 HDADHN S=C(NC1CCOCC1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000727783580 1076234283 /nfs/dbraw/zinc/23/42/83/1076234283.db2.gz RMCVKJDIYDACBY-SFHVURJKSA-N 0 3 403.596 1.969 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000727860152 1076274775 /nfs/dbraw/zinc/27/47/75/1076274775.db2.gz TYWJUIHANNBCEK-ZDUSSCGKSA-N 0 3 408.300 1.870 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000727860283 1076275112 /nfs/dbraw/zinc/27/51/12/1076275112.db2.gz AXXVJXWFSKXIAU-CYBMUJFWSA-N 0 3 403.932 1.431 20 0 HDADHN O=C(CN1CCC[C@H](C2OCCO2)C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000728053421 1076320789 /nfs/dbraw/zinc/32/07/89/1076320789.db2.gz JWMFOTYEOZUVMX-SFHVURJKSA-N 0 3 401.507 1.492 20 0 HDADHN C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCC[C@@H](C2OCCO2)C1 ZINC000728053052 1076321172 /nfs/dbraw/zinc/32/11/72/1076321172.db2.gz GKRIDEQAWHWFSK-GHTZIAJQSA-N 0 3 417.550 1.608 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)N1CCC(C)CC1 ZINC000728144053 1076343794 /nfs/dbraw/zinc/34/37/94/1076343794.db2.gz XJACZNMAZHMTMZ-MRXNPFEDSA-N 0 3 406.502 1.837 20 0 HDADHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000728151989 1076348057 /nfs/dbraw/zinc/34/80/57/1076348057.db2.gz KYGHWSOOBSPDST-OGWOLHLISA-N 0 3 400.504 1.668 20 0 HDADHN COCCN1CCC[C@@H](NC(=O)CN2C(=S)N=NC2c2ccc(OC)cc2)C1 ZINC000730036032 1076414108 /nfs/dbraw/zinc/41/41/08/1076414108.db2.gz HLAFTHIFBWZXEL-OAHLLOKOSA-N 0 3 405.524 1.469 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)COC(=O)C3(C(=O)NC)CCC3)cc2)CC1 ZINC000730045683 1076419616 /nfs/dbraw/zinc/41/96/16/1076419616.db2.gz LKZHANREZSQCSC-UHFFFAOYSA-N 0 3 402.495 1.227 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000730217908 1076479633 /nfs/dbraw/zinc/47/96/33/1076479633.db2.gz ZMCQMOVVTQORDW-CRAIPNDOSA-N 0 3 404.486 1.238 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000730219597 1076480883 /nfs/dbraw/zinc/48/08/83/1076480883.db2.gz GMUCIDZWVFUBTA-INIZCTEOSA-N 0 3 404.486 1.191 20 0 HDADHN O=C(Nc1cccc(CN2CCOC2=O)c1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000730921403 1076693751 /nfs/dbraw/zinc/69/37/51/1076693751.db2.gz SOEGEXFYWJKNOU-GOSISDBHSA-N 0 3 400.479 1.664 20 0 HDADHN CN1CCN(CCCN/C=C2/c3ccccc3C(=O)N(c3ccccn3)C2=O)CC1 ZINC000730970971 1076702122 /nfs/dbraw/zinc/70/21/22/1076702122.db2.gz PHJCKWIGXBXEJG-JZJYNLBNSA-N 0 3 405.502 1.837 20 0 HDADHN Cc1cc(NC(=O)CCN2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)no1 ZINC000328606669 571306815 /nfs/dbraw/zinc/30/68/15/571306815.db2.gz SJJCNOHJCJALCC-JLTOFOAXSA-N 0 3 409.450 2.205 20 0 HDADHN O=C(Nc1cnccn1)[C@@H]1COC[C@@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]21 ZINC001164700766 719884270 /nfs/dbraw/zinc/88/42/70/719884270.db2.gz KZQXMQHWYHTJCO-IPMKNSEASA-N 0 3 408.506 1.805 20 0 HDADHN CCOC(=O)c1nc2ccccc2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164742968 720626744 /nfs/dbraw/zinc/62/67/44/720626744.db2.gz NTKUUUSDGQHTDH-HOTGVXAUSA-N 0 3 420.473 1.938 20 0 HDADHN COc1cc2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c(OC)c1 ZINC001164738479 720709973 /nfs/dbraw/zinc/70/99/73/720709973.db2.gz JYQPUCBVBUNJOK-HOCLYGCPSA-N 0 3 408.462 1.779 20 0 HDADHN COC(=O)CSc1cccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164742810 720743880 /nfs/dbraw/zinc/74/38/80/720743880.db2.gz OMILWAMESSATTC-CABCVRRESA-N 0 3 401.492 1.479 20 0 HDADHN c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(CN5CCOCC5)cn4)CCN3C2)c1 ZINC001164867978 721051544 /nfs/dbraw/zinc/05/15/44/721051544.db2.gz LPJWOBLYAXYPKB-FCHUYYIVSA-N 0 3 409.534 1.789 20 0 HDADHN CON(C)C(=O)c1cc(C)cnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164872758 721124263 /nfs/dbraw/zinc/12/42/63/721124263.db2.gz IHCONHBMTZAPIA-MOPGFXCFSA-N 0 3 411.506 1.898 20 0 HDADHN CCNS(=O)(=O)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164879423 721142998 /nfs/dbraw/zinc/14/29/98/721142998.db2.gz RZWUXPYBYHWKDP-ZWKOTPCHSA-N 0 3 417.535 1.255 20 0 HDADHN COCCOC(=O)c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164869774 721180238 /nfs/dbraw/zinc/18/02/38/721180238.db2.gz BINPRFFOTGMMLS-PMACEKPBSA-N 0 3 412.490 1.760 20 0 HDADHN COCCOC(=O)c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164869776 721180378 /nfs/dbraw/zinc/18/03/78/721180378.db2.gz BINPRFFOTGMMLS-VQTJNVASSA-N 0 3 412.490 1.760 20 0 HDADHN CN1CCc2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2C1 ZINC001164872194 721182617 /nfs/dbraw/zinc/18/26/17/721182617.db2.gz GUPZWRIGDJMWFV-IAGOWNOFSA-N 0 3 414.941 1.993 20 0 HDADHN CNC(=O)[C@@]12CN(c3ccc(CN(C)C4CC4)cn3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164871361 721207530 /nfs/dbraw/zinc/20/75/30/721207530.db2.gz YRGFRVJSWRKVNN-CVDCTZTESA-N 0 3 421.549 1.687 20 0 HDADHN CCOC(=O)Cc1cccnc1N1CC[C@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164884968 721390836 /nfs/dbraw/zinc/39/08/36/721390836.db2.gz BEYSDCUSHDAFPR-REWPJTCUSA-N 0 3 416.566 1.953 20 0 HDADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc5c4NC(=O)CO5)C3)O2)CC1 ZINC001164883874 721414870 /nfs/dbraw/zinc/41/48/70/721414870.db2.gz CEBUCVMLHKAGRL-KKSFZXQISA-N 0 3 401.511 1.178 20 0 HDADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccnc(N5CCOCC5)n4)C3)O2)CC1 ZINC001164887090 721421746 /nfs/dbraw/zinc/42/17/46/721421746.db2.gz KWDOWOBWIPGWER-SIKLNZKXSA-N 0 3 416.570 1.079 20 0 HDADHN CN(Cc1cccnc1)[C@H]1CN(c2ccc(N3CCN(C)CC3)nn2)[C@@H]2CCCO[C@H]21 ZINC001164801327 721530043 /nfs/dbraw/zinc/53/00/43/721530043.db2.gz DXJVDYGSFKGSGU-ZRCGQRJVSA-N 0 3 423.565 1.492 20 0 HDADHN O=C(c1cnccn1)N1CCOC2(CCN(c3ccc(CN4CCCC4)cn3)CC2)C1 ZINC001165012627 721759424 /nfs/dbraw/zinc/75/94/24/721759424.db2.gz GCIKIDWYCFYXLG-UHFFFAOYSA-N 0 3 422.533 1.979 20 0 HDADHN Cc1nc(N2CCCC2)cc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)n1 ZINC001164911608 721770506 /nfs/dbraw/zinc/77/05/06/721770506.db2.gz HTDRYRFFEUITJS-QHCPKHFHSA-N 0 3 424.549 1.888 20 0 HDADHN O=C1NCCN(Cc2ccccc2)C12CCN(c1cccc(N3CCOCC3)n1)CC2 ZINC001164945991 721977173 /nfs/dbraw/zinc/97/71/73/721977173.db2.gz IEENNBVWONMMDR-UHFFFAOYSA-N 0 3 421.545 1.889 20 0 HDADHN O=C([C@@H]1COC2(C1)CCN(c1ncccc1CN1CCCC1)CC2)N1CCOCC1 ZINC001164956848 722045753 /nfs/dbraw/zinc/04/57/53/722045753.db2.gz DIWJOKNZFPGIGV-FQEVSTJZSA-N 0 3 414.550 1.912 20 0 HDADHN CN(Cc1ccc(N2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)nc1)C1CC1 ZINC001164956599 722045865 /nfs/dbraw/zinc/04/58/65/722045865.db2.gz BKYQUSPFPZVZGN-LJQANCHMSA-N 0 3 414.550 1.910 20 0 HDADHN CNS(=O)(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164973301 722139823 /nfs/dbraw/zinc/13/98/23/722139823.db2.gz BRQSZPVQUBXYGW-MJGOQNOKSA-N 0 3 417.535 1.112 20 0 HDADHN CON(C)C(=O)c1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978935 722149049 /nfs/dbraw/zinc/14/90/49/722149049.db2.gz LCDQANCKPPHASV-UXHICEINSA-N 0 3 411.506 1.837 20 0 HDADHN Cc1nc(CN2CCO[C@H]3CCN(c4ncc5c(n4)CCNC5)CC[C@@H]32)cs1 ZINC001164988451 722177729 /nfs/dbraw/zinc/17/77/29/722177729.db2.gz RIDYHXNRTXZHRF-OALUTQOASA-N 0 3 400.552 1.757 20 0 HDADHN C[C@@H](NCCOC[C@@H]1CCCO1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766015919 1073599642 /nfs/dbraw/zinc/59/96/42/1073599642.db2.gz WIYILTMYRNQEIM-PBHICJAKSA-N 0 3 420.553 1.258 20 0 HDADHN O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673697433 1073646973 /nfs/dbraw/zinc/64/69/73/1073646973.db2.gz ZSNNJSZGNRTGCO-UHFFFAOYSA-N 0 3 405.871 1.426 20 0 HDADHN O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673697433 1073646979 /nfs/dbraw/zinc/64/69/79/1073646979.db2.gz ZSNNJSZGNRTGCO-UHFFFAOYSA-N 0 3 405.871 1.426 20 0 HDADHN CCN(CC)CCO[C@H]1CCN(C(=O)[C@H](C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000673729482 1073662285 /nfs/dbraw/zinc/66/22/85/1073662285.db2.gz LKUQQTVOCMYPPB-RDJZCZTQSA-N 0 3 400.516 1.947 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000673757100 1073692394 /nfs/dbraw/zinc/69/23/94/1073692394.db2.gz IQLCIKDFIXTRNC-QGZVFWFLSA-N 0 3 416.547 1.869 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000673769976 1073714335 /nfs/dbraw/zinc/71/43/35/1073714335.db2.gz NTZCFDGDXOMECF-KRWDZBQOSA-N 0 3 408.568 1.716 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000673779141 1073735329 /nfs/dbraw/zinc/73/53/29/1073735329.db2.gz XLYAGEVHMCNUPK-XLIONFOSSA-N 0 3 410.522 1.831 20 0 HDADHN NC(=O)C[C@H](N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)C1CCOCC1 ZINC000543494417 1073824455 /nfs/dbraw/zinc/82/44/55/1073824455.db2.gz GZEBWXQMBBNCLP-CVEARBPZSA-N 0 3 415.412 1.951 20 0 HDADHN CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000673907344 1073872809 /nfs/dbraw/zinc/87/28/09/1073872809.db2.gz XIQFQSNZHCEHBX-LJQANCHMSA-N 0 3 411.568 1.674 20 0 HDADHN O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000673938767 1073912201 /nfs/dbraw/zinc/91/22/01/1073912201.db2.gz AUQVCAKGOGCZOP-HXUWFJFHSA-N 0 3 422.529 1.703 20 0 HDADHN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000030380534 1073928816 /nfs/dbraw/zinc/92/88/16/1073928816.db2.gz SWFLQXIWRBJOQP-LJQANCHMSA-N 0 3 423.579 1.803 20 0 HDADHN CCN(C(=O)NCCNS(=O)(=O)NC(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000429173230 1073940309 /nfs/dbraw/zinc/94/03/09/1073940309.db2.gz ANUUJYNHJZAWAV-SFHVURJKSA-N 0 3 411.572 1.125 20 0 HDADHN C[C@@H]1CN(CCC2CCN(C(=O)NC[C@H]3CCS(=O)(=O)C3)CC2)C[C@H](C)O1 ZINC000429185864 1074003611 /nfs/dbraw/zinc/00/36/11/1074003611.db2.gz SXFSBCMFRFBEQA-SOLBZPMBSA-N 0 3 401.573 1.342 20 0 HDADHN C[C@@H]1CN(CCC2CCN(C(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2)C[C@H](C)O1 ZINC000429185861 1074003788 /nfs/dbraw/zinc/00/37/88/1074003788.db2.gz SXFSBCMFRFBEQA-JZXOWHBKSA-N 0 3 401.573 1.342 20 0 HDADHN COCCN1CCC(NC(=O)C(=O)Nc2ccccc2-c2nncn2C(C)C)CC1 ZINC000543531369 1074022120 /nfs/dbraw/zinc/02/21/20/1074022120.db2.gz LCOIFCMJYUJGMR-UHFFFAOYSA-N 0 3 414.510 1.692 20 0 HDADHN CNC(=O)N[C@H]1CCN(C(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000466583949 1074023213 /nfs/dbraw/zinc/02/32/13/1074023213.db2.gz ANTDCCMZPSWSFM-IBGZPJMESA-N 0 3 416.570 1.610 20 0 HDADHN Cc1cccc(N2CCN(CCCCNC(=O)[C@H](C)N3C(=O)CCC3=O)CC2)c1 ZINC000058505160 1074028652 /nfs/dbraw/zinc/02/86/52/1074028652.db2.gz JJFCQMBLRCPZKB-SFHVURJKSA-N 0 3 400.523 1.551 20 0 HDADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000543535332 1074035609 /nfs/dbraw/zinc/03/56/09/1074035609.db2.gz XGLSIYOXFNDSOD-HUUCEWRRSA-N 0 3 422.551 1.184 20 0 HDADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1CN1CCNC1=O ZINC000543535258 1074042427 /nfs/dbraw/zinc/04/24/27/1074042427.db2.gz TYGHVUSEXYHRSU-HOTGVXAUSA-N 0 3 401.511 1.387 20 0 HDADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1CN1CCNC1=O ZINC000543535260 1074042450 /nfs/dbraw/zinc/04/24/50/1074042450.db2.gz TYGHVUSEXYHRSU-JKSUJKDBSA-N 0 3 401.511 1.387 20 0 HDADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000466597674 1074060335 /nfs/dbraw/zinc/06/03/35/1074060335.db2.gz OYSNDKGBZVAZDG-MHTWAQMVSA-N 0 3 414.550 1.896 20 0 HDADHN C[C@@H](NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@H]1COc2ccccc21 ZINC000543557070 1074094486 /nfs/dbraw/zinc/09/44/86/1074094486.db2.gz IXNHKIFTXHPXMN-SJLPKXTDSA-N 0 3 402.539 1.200 20 0 HDADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccnc(O[C@H]2CCOC2)c1 ZINC000543578061 1074159964 /nfs/dbraw/zinc/15/99/64/1074159964.db2.gz TXBUUYUJFJOTNQ-PCCBWWKXSA-N 0 3 411.502 1.862 20 0 HDADHN CC[N@@H+]1CCC[C@@H](CNC(=O)C2([N-]S(=O)(=O)c3c(C)noc3C)CCCC2)C1 ZINC000543581478 1074166646 /nfs/dbraw/zinc/16/66/46/1074166646.db2.gz KUROLNUDKPKILQ-INIZCTEOSA-N 0 3 412.556 1.731 20 0 HDADHN CC[N@H+]1CCC[C@@H](CNC(=O)C2([N-]S(=O)(=O)c3c(C)noc3C)CCCC2)C1 ZINC000543581478 1074166651 /nfs/dbraw/zinc/16/66/51/1074166651.db2.gz KUROLNUDKPKILQ-INIZCTEOSA-N 0 3 412.556 1.731 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)c1ccncc1 ZINC000674231104 1074236424 /nfs/dbraw/zinc/23/64/24/1074236424.db2.gz WJRRADBGOVYABG-INIZCTEOSA-N 0 3 423.517 1.637 20 0 HDADHN O=C(CN[C@@H]1Cc2cccc(O)c2C1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000429224341 1074245300 /nfs/dbraw/zinc/24/53/00/1074245300.db2.gz BDVLYVIZKZOIEA-HXUWFJFHSA-N 0 3 407.514 1.728 20 0 HDADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCN(CC)C2)c1 ZINC000509223101 1074251547 /nfs/dbraw/zinc/25/15/47/1074251547.db2.gz JHSQRYPFRJLIAS-MRXNPFEDSA-N 0 3 417.597 1.727 20 0 HDADHN COC1CCN(CCNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000674310010 1074267358 /nfs/dbraw/zinc/26/73/58/1074267358.db2.gz QHBIIJZVSRRDRX-HNNXBMFYSA-N 0 3 403.479 1.038 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H](NS(=O)(=O)c2ccccc2F)C(C)C)CC1 ZINC000674311749 1074268876 /nfs/dbraw/zinc/26/88/76/1074268876.db2.gz PUSANRGOIIKFJF-SFHVURJKSA-N 0 3 415.531 1.356 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000674310622 1074269165 /nfs/dbraw/zinc/26/91/65/1074269165.db2.gz KHRZOLCBVLLNFN-HNNXBMFYSA-N 0 3 401.554 1.128 20 0 HDADHN COC1CCN(CCNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000674325090 1074273932 /nfs/dbraw/zinc/27/39/32/1074273932.db2.gz XKOKMBBPICPFNM-UHFFFAOYSA-N 0 3 423.579 1.461 20 0 HDADHN COCCN1CCC(NC(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)CC1 ZINC000140441076 1074275771 /nfs/dbraw/zinc/27/57/71/1074275771.db2.gz IKBWQQPCPIPTJT-QGZVFWFLSA-N 0 3 403.527 1.861 20 0 HDADHN COC1CCN(CCNC(=O)NCCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000674326379 1074276946 /nfs/dbraw/zinc/27/69/46/1074276946.db2.gz AFVZOYUJGSPPHS-UHFFFAOYSA-N 0 3 402.495 1.473 20 0 HDADHN COC1CCN(CCNC(=O)NCc2cccc(S(=O)(=O)NC(C)C)c2)CC1 ZINC000674328722 1074278623 /nfs/dbraw/zinc/27/86/23/1074278623.db2.gz NLNWFJRGQAKGTO-UHFFFAOYSA-N 0 3 412.556 1.283 20 0 HDADHN O=S(=O)(NCc1ccccc1CN1CCC[C@H]1CO)c1cccc2c1OCO2 ZINC000509223564 1074289140 /nfs/dbraw/zinc/28/91/40/1074289140.db2.gz KYKYXRUPOXZGBI-KRWDZBQOSA-N 0 3 404.488 1.851 20 0 HDADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN[C@H]1Cc2cccc(O)c2C1 ZINC000429229569 1074319438 /nfs/dbraw/zinc/31/94/38/1074319438.db2.gz WKFQNGQQYISKAH-DOMZBBRYSA-N 0 3 401.488 1.074 20 0 HDADHN CCN1C(=O)[C@H]2CN(CCC(=O)Nc3ccc(N4CCCC4=O)cc3)CCN2C1=O ZINC000674469096 1074366773 /nfs/dbraw/zinc/36/67/73/1074366773.db2.gz WKIZYVZWUYJJCV-QGZVFWFLSA-N 0 3 413.478 1.110 20 0 HDADHN CCn1nc2c(cc1=O)CN(C(=O)c1ccc(N3CCN(C(C)C)CC3)cc1)CC2 ZINC000674592782 1074471966 /nfs/dbraw/zinc/47/19/66/1074471966.db2.gz WSEXQTWWKHFAMK-UHFFFAOYSA-N 0 3 409.534 1.992 20 0 HDADHN CCN1C(=O)[C@@H]2CN(C(=O)CCCN3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000674594445 1074472343 /nfs/dbraw/zinc/47/23/43/1074472343.db2.gz AXXXBALXTKHVPL-IBGZPJMESA-N 0 3 413.522 1.084 20 0 HDADHN CN(CCN1CCCS1(=O)=O)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000674615285 1074484797 /nfs/dbraw/zinc/48/47/97/1074484797.db2.gz GLLDXSDXRMUPDM-HNNXBMFYSA-N 0 3 400.570 1.562 20 0 HDADHN CN(CCN1CCCS1(=O)=O)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000674631884 1074495990 /nfs/dbraw/zinc/49/59/90/1074495990.db2.gz VXMRWJWWZZGJEQ-IBGZPJMESA-N 0 3 408.568 1.891 20 0 HDADHN Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)o1 ZINC000674638280 1074497150 /nfs/dbraw/zinc/49/71/50/1074497150.db2.gz FHWRQXJEFKEHRL-MGPUTAFESA-N 0 3 405.499 1.382 20 0 HDADHN CC[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)C(=O)N1CCOCC1 ZINC000674647194 1074503940 /nfs/dbraw/zinc/50/39/40/1074503940.db2.gz HTJJMJMCMXRHAZ-AZUAARDMSA-N 0 3 402.539 1.930 20 0 HDADHN Cc1c(C(=O)Nc2nc3ccc(F)cn3n2)nnn1-c1cccc2c1CCN(C)C2 ZINC000674749292 1074551411 /nfs/dbraw/zinc/55/14/11/1074551411.db2.gz SBLALOODOUSGQO-UHFFFAOYSA-N 0 3 406.425 1.998 20 0 HDADHN CC(C)(C)n1nnnc1CON=C(N)CCN1CCN(Cc2ccccc2)CC1 ZINC000766068351 1074563943 /nfs/dbraw/zinc/56/39/43/1074563943.db2.gz DFFYGKWAMCWLCN-UHFFFAOYSA-N 0 3 400.531 1.634 20 0 HDADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000674790393 1074567680 /nfs/dbraw/zinc/56/76/80/1074567680.db2.gz GHOYYCLHNRVMIF-APWZRJJASA-N 0 3 419.551 1.430 20 0 HDADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000674808871 1074575526 /nfs/dbraw/zinc/57/55/26/1074575526.db2.gz KYIYUBAQZQOOBX-IRXDYDNUSA-N 0 3 419.551 1.210 20 0 HDADHN Cc1c(C(=O)Nc2ncnn2-c2ccccc2)nnn1-c1cccc2c1CCN(C)C2 ZINC000674890747 1074597834 /nfs/dbraw/zinc/59/78/34/1074597834.db2.gz BRJJXSAYANOWMK-UHFFFAOYSA-N 0 3 414.473 1.819 20 0 HDADHN COCCN(C)CCOc1cccc(CNC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000674922679 1074622303 /nfs/dbraw/zinc/62/23/03/1074622303.db2.gz PUDGCXXZQDEJMM-NHCUHLMSSA-N 0 3 421.538 1.733 20 0 HDADHN CCc1ccc([C@@H](CNC(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)N(C)C)cc1 ZINC000675084414 1074700834 /nfs/dbraw/zinc/70/08/34/1074700834.db2.gz WNJGCTNAOMEMIZ-QZTJIDSGSA-N 0 3 401.511 1.530 20 0 HDADHN CNc1nc(N2CCC[C@H](n3ccnc3)C2)nc(N2CCC[C@H](n3ccnc3)C2)n1 ZINC000675151135 1074738366 /nfs/dbraw/zinc/73/83/66/1074738366.db2.gz YWNNHDFXEXGUOT-IRXDYDNUSA-N 0 3 408.514 1.411 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCc2ccc(C(=O)OC)cc2)CC1 ZINC000509315732 1074766456 /nfs/dbraw/zinc/76/64/56/1074766456.db2.gz UEOWZYIOZARYSV-UHFFFAOYSA-N 0 3 404.511 1.211 20 0 HDADHN CN(C)Cc1ccc(S(=O)(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)cc1 ZINC000509317952 1074779876 /nfs/dbraw/zinc/77/98/76/1074779876.db2.gz ULQDTGPUPJKLKR-HKUYNNGSSA-N 0 3 423.558 1.715 20 0 HDADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCC[C@@H](C)C1 ZINC000675317762 1074797696 /nfs/dbraw/zinc/79/76/96/1074797696.db2.gz BAFHFANKJPBFAB-RKVPGOIHSA-N 0 3 420.941 1.798 20 0 HDADHN COc1ccccc1OCCNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000670507390 1075094508 /nfs/dbraw/zinc/09/45/08/1075094508.db2.gz DBKAZXYNBQKGKI-LJQANCHMSA-N 0 3 411.502 1.923 20 0 HDADHN Cc1cc(NC(=O)CCN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)no1 ZINC000501987359 1075094874 /nfs/dbraw/zinc/09/48/74/1075094874.db2.gz VRRROGKKQAYFRF-OAQYLSRUSA-N 0 3 411.462 1.898 20 0 HDADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000670512311 1075095881 /nfs/dbraw/zinc/09/58/81/1075095881.db2.gz IPJWUTMDUMTTRG-QGZVFWFLSA-N 0 3 415.456 1.933 20 0 HDADHN C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)n1 ZINC000675405478 1075131336 /nfs/dbraw/zinc/13/13/36/1075131336.db2.gz QBGJUEINEILHJJ-FOIQADDNSA-N 0 3 401.536 1.984 20 0 HDADHN C[C@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1cccc(-n2cccn2)c1 ZINC000466679474 1075157661 /nfs/dbraw/zinc/15/76/61/1075157661.db2.gz AHVNWVQRNRLPLQ-SFHVURJKSA-N 0 3 410.522 1.883 20 0 HDADHN CSC[C@@H](CCO)N[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766140698 1075163619 /nfs/dbraw/zinc/16/36/19/1075163619.db2.gz RXWCGEKAHCXNEF-GXTWGEPZSA-N 0 3 410.583 1.177 20 0 HDADHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)c2ccccc2O1 ZINC000675472594 1075166985 /nfs/dbraw/zinc/16/69/85/1075166985.db2.gz PRXDVKWYFUPJPB-GFCCVEGCSA-N 0 3 416.459 1.559 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)c2ccc(N3NC(=O)CCC3=O)cc2)c2ccccc2O1 ZINC000675491222 1075175254 /nfs/dbraw/zinc/17/52/54/1075175254.db2.gz GPMJPICGFSJHMH-KRWDZBQOSA-N 0 3 408.458 1.814 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)c2ccccc2O1 ZINC000675490875 1075175631 /nfs/dbraw/zinc/17/56/31/1075175631.db2.gz CJCARFNYXNAVPD-OAHLLOKOSA-N 0 3 408.458 1.848 20 0 HDADHN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1C[C@H](CN(C)C)Oc3ccccc31)C2=O ZINC000675491518 1075176112 /nfs/dbraw/zinc/17/61/12/1075176112.db2.gz KSYPWNJYZAKSID-ZMPRRUGASA-N 0 3 414.506 1.843 20 0 HDADHN CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)c1 ZINC000675511217 1075189857 /nfs/dbraw/zinc/18/98/57/1075189857.db2.gz CYNDGQXQHSDHIC-MRXNPFEDSA-N 0 3 403.504 1.954 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)c2ccccc2O1 ZINC000675512503 1075191472 /nfs/dbraw/zinc/19/14/72/1075191472.db2.gz PSGQADXMFFUTOW-HNNXBMFYSA-N 0 3 408.458 1.848 20 0 HDADHN CS(=O)(=O)N1CCCc2cc(C(=O)NC3CCN([C@H]4CCOC4)CC3)ccc21 ZINC000675537576 1075195228 /nfs/dbraw/zinc/19/52/28/1075195228.db2.gz GSKYXCQGQQZUSV-SFHVURJKSA-N 0 3 407.536 1.382 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000675539136 1075195580 /nfs/dbraw/zinc/19/55/80/1075195580.db2.gz WXDKTKBLUQHAMX-HZPDHXFCSA-N 0 3 413.565 1.271 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000675538990 1075195968 /nfs/dbraw/zinc/19/59/68/1075195968.db2.gz QDGBNHWEKSGVTE-UYAOXDASSA-N 0 3 421.563 1.599 20 0 HDADHN COc1ccc(CN2C[C@H](C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC2=O)cc1 ZINC000675538705 1075196006 /nfs/dbraw/zinc/19/60/06/1075196006.db2.gz MCACZQRSVDMKGM-IEBWSBKVSA-N 0 3 401.507 1.413 20 0 HDADHN O=C(N[C@H](Cc1ccccc1)C(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccco1 ZINC000675538806 1075196274 /nfs/dbraw/zinc/19/62/74/1075196274.db2.gz OXNSIDJOBOKCKH-VQTJNVASSA-N 0 3 411.502 1.990 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000675538724 1075196318 /nfs/dbraw/zinc/19/63/18/1075196318.db2.gz MYTDEGJTRGVSPA-LJQANCHMSA-N 0 3 421.563 1.891 20 0 HDADHN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000675540782 1075197212 /nfs/dbraw/zinc/19/72/12/1075197212.db2.gz ITBYUYPMAPUFPO-OALUTQOASA-N 0 3 402.474 1.274 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675558541 1075202641 /nfs/dbraw/zinc/20/26/41/1075202641.db2.gz LGFQNTQARSKTFJ-QZTJIDSGSA-N 0 3 407.559 1.019 20 0 HDADHN CN(C(=O)CCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000675579660 1075211458 /nfs/dbraw/zinc/21/14/58/1075211458.db2.gz QAWQMNLZNVPSHR-LJQANCHMSA-N 0 3 401.532 2.000 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)Nc3ccn(C(C)C)n3)cc2)CC1 ZINC000483556669 1075232542 /nfs/dbraw/zinc/23/25/42/1075232542.db2.gz FDZCRPQLQGTUAF-UHFFFAOYSA-N 0 3 412.538 1.856 20 0 HDADHN CN(C)C1(CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)Cc2ccccc2C1 ZINC000675595239 1075232679 /nfs/dbraw/zinc/23/26/79/1075232679.db2.gz LDKCCYYLBXZRTB-LJQANCHMSA-N 0 3 411.506 1.216 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000509358507 1075239518 /nfs/dbraw/zinc/23/95/18/1075239518.db2.gz PJIYGOQYXNVJQV-UHFFFAOYSA-N 0 3 423.602 1.217 20 0 HDADHN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000509359761 1075250709 /nfs/dbraw/zinc/25/07/09/1075250709.db2.gz YRNABDHGYXICAV-ZDUSSCGKSA-N 0 3 407.458 1.880 20 0 HDADHN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000675699206 1075260145 /nfs/dbraw/zinc/26/01/45/1075260145.db2.gz RKUPZHHAQRBPAZ-RHSMWYFYSA-N 0 3 422.551 1.302 20 0 HDADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3cccc(OCC(N)=O)c3)CC2)cc1 ZINC001129049620 1075261660 /nfs/dbraw/zinc/26/16/60/1075261660.db2.gz MAWHXPSNGAWRNN-UHFFFAOYSA-N 0 3 424.501 1.904 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000675826654 1075278947 /nfs/dbraw/zinc/27/89/47/1075278947.db2.gz PLNRNUONQRNORJ-QZTJIDSGSA-N 0 3 407.559 1.162 20 0 HDADHN COC(=O)[C@H]1CCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)[C@H]1C(C)C ZINC000429383075 1075296822 /nfs/dbraw/zinc/29/68/22/1075296822.db2.gz QGTMXRGBWRZRTH-YJBOKZPZSA-N 0 3 407.536 1.552 20 0 HDADHN Cc1ccc(NCCCNC(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)nc1 ZINC000548444917 1075304837 /nfs/dbraw/zinc/30/48/37/1075304837.db2.gz AUFFYMUNWMGOPK-NRFANRHFSA-N 0 3 410.566 2.480 20 0 HDADHN CN1CCC(NC(=S)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)CC1 ZINC000731320505 1075307332 /nfs/dbraw/zinc/30/73/32/1075307332.db2.gz KKSVCEFZDIWGAO-UHFFFAOYSA-N 0 3 415.607 1.552 20 0 HDADHN CCOC(=O)c1cn(C)nc1NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000544254722 1075317721 /nfs/dbraw/zinc/31/77/21/1075317721.db2.gz RCIBJKMPASMJAT-GASCZTMLSA-N 0 3 407.515 1.950 20 0 HDADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3c(C)c(C)nn(C)c3=O)CC2)cc1 ZINC001129159173 1075323400 /nfs/dbraw/zinc/32/34/00/1075323400.db2.gz WZQOVVMGOIOEHI-UHFFFAOYSA-N 0 3 411.506 1.750 20 0 HDADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCCC(=O)N1CCCCCC1 ZINC000804081073 1075346342 /nfs/dbraw/zinc/34/63/42/1075346342.db2.gz ZPCQXEUZCXYTQG-UHFFFAOYSA-N 0 3 416.566 1.528 20 0 HDADHN CN(C)[C@H]1Cc2ccccc2N(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)C1 ZINC000731467757 1075358154 /nfs/dbraw/zinc/35/81/54/1075358154.db2.gz AUNMXYSLMYNYJN-FDDCHVKYSA-N 0 3 406.486 1.973 20 0 HDADHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(CCNS(C)(=O)=O)s2)C1 ZINC000731467773 1075358185 /nfs/dbraw/zinc/35/81/85/1075358185.db2.gz BFOUQGDEBDUINE-HNNXBMFYSA-N 0 3 407.561 1.973 20 0 HDADHN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CN1Cc1ccccc1 ZINC000676099070 1075365846 /nfs/dbraw/zinc/36/58/46/1075365846.db2.gz BQFBNACBWMZXLW-AEFFLSMTSA-N 0 3 404.474 1.985 20 0 HDADHN CNS(=O)(=O)c1cc(NC(=O)CN[C@@H](CC(N)=O)C2CCCCC2)ccc1C ZINC000544456607 1075369341 /nfs/dbraw/zinc/36/93/41/1075369341.db2.gz KWKQLODHCQNRKR-INIZCTEOSA-N 0 3 410.540 1.256 20 0 HDADHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000804089695 1075381476 /nfs/dbraw/zinc/38/14/76/1075381476.db2.gz XXRYFMJXOBKKDW-GVDBMIGSSA-N 0 3 408.543 1.635 20 0 HDADHN C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1=CCN(C)CC1 ZINC000804093110 1075393885 /nfs/dbraw/zinc/39/38/85/1075393885.db2.gz XFCWSSIDKVPZRO-XIRDDKMYSA-N 0 3 408.543 1.705 20 0 HDADHN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000583122389 1075394310 /nfs/dbraw/zinc/39/43/10/1075394310.db2.gz YXHBTTHOVVKMMY-QGZVFWFLSA-N 0 3 401.898 2.469 20 0 HDADHN CNC(=O)Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000676124399 1075395557 /nfs/dbraw/zinc/39/55/57/1075395557.db2.gz HYYYXSUOSFLYSX-TZIWHRDSSA-N 0 3 410.518 1.980 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cnc3c(C)cc(F)cc3c2O)CC1 ZINC000676142146 1075397106 /nfs/dbraw/zinc/39/71/06/1075397106.db2.gz PFAPIFYWCLKCMM-UHFFFAOYSA-N 0 3 402.470 1.602 20 0 HDADHN Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000643605684 1075411411 /nfs/dbraw/zinc/41/14/11/1075411411.db2.gz QGOXDNMQEITSRD-FQEVSTJZSA-N 0 3 419.485 2.325 20 0 HDADHN CN1CCN(C(=O)CN[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC1 ZINC000429399089 1075411998 /nfs/dbraw/zinc/41/19/98/1075411998.db2.gz VZUZNMHEGAAUGG-KNQAVFIVSA-N 0 3 413.493 1.940 20 0 HDADHN Cc1ccc(N2CCC[C@H](NCc3cnn([C@]4(C)CCS(=O)(=O)C4)c3)C2)nn1 ZINC000676200193 1075435019 /nfs/dbraw/zinc/43/50/19/1075435019.db2.gz YUKKXLNKMWTDBS-PKOBYXMFSA-N 0 3 404.540 1.274 20 0 HDADHN Cc1cccc(N2CCN(CCCNC(=O)N[C@@H](C)[C@H]3CN(C)CCO3)CC2)c1 ZINC000676243651 1075445951 /nfs/dbraw/zinc/44/59/51/1075445951.db2.gz RGSVZQLRGCKOPZ-PZJWPPBQSA-N 0 3 403.571 1.525 20 0 HDADHN CCNS(=O)(=O)CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000731679531 1075461851 /nfs/dbraw/zinc/46/18/51/1075461851.db2.gz MQAFHKIIFNAPOB-HNNXBMFYSA-N 0 3 402.586 1.760 20 0 HDADHN CC[C@H](C)N[C@H](CNC(=O)Nc1ccn(CCN2CCOCC2)n1)c1ccco1 ZINC000563987841 1075486393 /nfs/dbraw/zinc/48/63/93/1075486393.db2.gz GXVBOQZTPHWXPN-DLBZAZTESA-N 0 3 404.515 2.059 20 0 HDADHN C[C@@H](NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1)[C@H]1CN(C)CCO1 ZINC000676307445 1075493220 /nfs/dbraw/zinc/49/32/20/1075493220.db2.gz PLJXRZFGZPFRJY-TZIWHRDSSA-N 0 3 403.571 1.165 20 0 HDADHN CCc1ccc([C@@H](CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)N(C)C)cc1 ZINC000731755418 1075511593 /nfs/dbraw/zinc/51/15/93/1075511593.db2.gz NRZPLNYVLVJLOH-HXUWFJFHSA-N 0 3 424.611 1.660 20 0 HDADHN Cc1c(C(=O)N2CCN([C@H]3CCOC3)CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000676341850 1075514734 /nfs/dbraw/zinc/51/47/34/1075514734.db2.gz VZEMAAOGJLVPRK-SFHVURJKSA-N 0 3 410.522 1.110 20 0 HDADHN CN(C)CCN(Cc1ccccc1)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000731760905 1075515694 /nfs/dbraw/zinc/51/56/94/1075515694.db2.gz GZTWQKPJSFCDQY-UHFFFAOYSA-N 0 3 410.584 1.269 20 0 HDADHN C[C@@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000676344626 1075518363 /nfs/dbraw/zinc/51/83/63/1075518363.db2.gz PYLGDJLWGVNIIR-CRAIPNDOSA-N 0 3 409.552 1.410 20 0 HDADHN O=C(Cn1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cn1)NC1CCCCC1 ZINC000676344484 1075518611 /nfs/dbraw/zinc/51/86/11/1075518611.db2.gz NUGFUWSMXCUWOI-IBGZPJMESA-N 0 3 403.527 1.315 20 0 HDADHN O=C(N[C@H](Cc1ccccc1)C(=O)NC1CCN([C@@H]2CCOC2)CC1)c1cccnc1 ZINC000676345934 1075519135 /nfs/dbraw/zinc/51/91/35/1075519135.db2.gz XZQYJTXZTOLGGR-FGZHOGPDSA-N 0 3 422.529 1.792 20 0 HDADHN Cn1c2ccc(S(=O)(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2oc1=O ZINC000731781730 1075523431 /nfs/dbraw/zinc/52/34/31/1075523431.db2.gz ZMAOAFJUDAQCGL-UHFFFAOYSA-N 0 3 402.476 1.684 20 0 HDADHN Cc1ccc(C2N=NC(=S)N2CC(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000731884835 1075555238 /nfs/dbraw/zinc/55/52/38/1075555238.db2.gz HAYKYEJYDFKJFF-UHFFFAOYSA-N 0 3 402.568 1.638 20 0 HDADHN Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(C)C2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000676451985 1075557524 /nfs/dbraw/zinc/55/75/24/1075557524.db2.gz LMVAOPPRUBCOHN-UXHICEINSA-N 0 3 424.549 1.787 20 0 HDADHN C[C@@H]1CN(CCC2CCN(C(=O)NCC3(CS(C)(=O)=O)CC3)CC2)C[C@@H](C)O1 ZINC000429437769 1075557771 /nfs/dbraw/zinc/55/77/71/1075557771.db2.gz ZPKKCXSYLYXNBB-IAGOWNOFSA-N 0 3 415.600 1.732 20 0 HDADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)C1 ZINC000676452520 1075558695 /nfs/dbraw/zinc/55/86/95/1075558695.db2.gz CKDIZXVNIMWXEF-PZJWPPBQSA-N 0 3 420.513 1.962 20 0 HDADHN C[C@H](CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000731897733 1075561491 /nfs/dbraw/zinc/56/14/91/1075561491.db2.gz ZMVXJODVLLOVOP-HUUCEWRRSA-N 0 3 414.959 1.879 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)c2cnn(CC(=O)NC3CCCC3)c2)c2ccccc2O1 ZINC000676476043 1075564468 /nfs/dbraw/zinc/56/44/68/1075564468.db2.gz MODMECKVYLRQBE-GOSISDBHSA-N 0 3 411.506 1.911 20 0 HDADHN CC(C)(C)NS(=O)(=O)CC(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000676478926 1075565829 /nfs/dbraw/zinc/56/58/29/1075565829.db2.gz NVFVRNFCMRLAES-KRWDZBQOSA-N 0 3 419.551 1.987 20 0 HDADHN C[NH+](C)CCC1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000543675361 1075568352 /nfs/dbraw/zinc/56/83/52/1075568352.db2.gz IOXGCOHQVMVJGC-UHFFFAOYSA-N 0 3 407.533 1.550 20 0 HDADHN C[C@H](CNC(=S)NCc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1 ZINC000731942129 1075572320 /nfs/dbraw/zinc/57/23/20/1075572320.db2.gz IEOVBWNTGMWVEJ-OAHLLOKOSA-N 0 3 406.577 1.819 20 0 HDADHN CN(C(=O)C(=O)Nc1ccn(CC(F)F)n1)C1CCN(CCc2ccccn2)CC1 ZINC000438872303 1075586452 /nfs/dbraw/zinc/58/64/52/1075586452.db2.gz DKOKRJDSHUOCKJ-UHFFFAOYSA-N 0 3 420.464 1.647 20 0 HDADHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCc2ccccc2CN2CCC(O)CC2)CC1=O ZINC000429452323 1075607952 /nfs/dbraw/zinc/60/79/52/1075607952.db2.gz YQTHWUCVZFBLEK-ZTNFWEORSA-N 0 3 400.523 1.452 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC3(OC)CCOCC3)c(C)c2)CC1 ZINC000676623240 1075621740 /nfs/dbraw/zinc/62/17/40/1075621740.db2.gz PQOVGFJZABNIOA-UHFFFAOYSA-N 0 3 418.538 1.387 20 0 HDADHN CN(Cc1ccc(C(=O)NC2CC2)cc1)C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000676634310 1075626141 /nfs/dbraw/zinc/62/61/41/1075626141.db2.gz XVKQHIHJSLLYHS-HXUWFJFHSA-N 0 3 422.485 1.888 20 0 HDADHN C[C@@H](CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O)N(C)Cc1ccccc1 ZINC000732133989 1075632731 /nfs/dbraw/zinc/63/27/31/1075632731.db2.gz KMHRPTWFTOPGAK-HNNXBMFYSA-N 0 3 401.488 1.468 20 0 HDADHN COC1(C(=O)N(C)CCCN2CCN(C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000732114411 1075636222 /nfs/dbraw/zinc/63/62/22/1075636222.db2.gz LCSQXIURECYAEE-UHFFFAOYSA-N 0 3 412.575 1.498 20 0 HDADHN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)[C@@H]3CN4CCC3CC4)C2=O)cc1 ZINC000732159522 1075641848 /nfs/dbraw/zinc/64/18/48/1075641848.db2.gz HYWCMOIHZQJXCV-DYESRHJHSA-N 0 3 400.479 1.015 20 0 HDADHN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)[C@H]3CN4CCC3CC4)C2=O)cc1 ZINC000732159525 1075641882 /nfs/dbraw/zinc/64/18/82/1075641882.db2.gz HYWCMOIHZQJXCV-UWJYYQICSA-N 0 3 400.479 1.015 20 0 HDADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000676660020 1075642146 /nfs/dbraw/zinc/64/21/46/1075642146.db2.gz WNBFSWZMAGQVRG-CQSZACIVSA-N 0 3 423.473 1.693 20 0 HDADHN CN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)[C@@H]1CCN(C2CC2)C1 ZINC000732165072 1075643803 /nfs/dbraw/zinc/64/38/03/1075643803.db2.gz CJSHPKPHJQXDFS-LLVKDONJSA-N 0 3 402.314 1.405 20 0 HDADHN CN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000732167004 1075644194 /nfs/dbraw/zinc/64/41/94/1075644194.db2.gz UMOCOKGNYBAUHK-MSOLQXFVSA-N 0 3 402.495 1.242 20 0 HDADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000676722391 1075667719 /nfs/dbraw/zinc/66/77/19/1075667719.db2.gz FHZKSWLRSLUZRL-CVEARBPZSA-N 0 3 414.597 1.854 20 0 HDADHN C[C@H]1C[C@H]1N1C[C@H](NC(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)CC1=O ZINC000429461316 1075672647 /nfs/dbraw/zinc/67/26/47/1075672647.db2.gz IYCKKAHMMNSTBD-AZNNDXHDSA-N 0 3 406.571 1.917 20 0 HDADHN CC(C)N1CC[C@H](N(C)CCC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1=O ZINC001036603421 1075673758 /nfs/dbraw/zinc/67/37/58/1075673758.db2.gz JWBSXRCMDAVTKZ-BCRJPVCJSA-N 0 3 403.567 1.980 20 0 HDADHN O=S(=O)(c1ccc(OCCN2CCC(c3cn[nH]c3)CC2)cc1)N1CCOCC1 ZINC000507208611 1075677087 /nfs/dbraw/zinc/67/70/87/1075677087.db2.gz IAWSGRZTHAYEEM-UHFFFAOYSA-N 0 3 420.535 1.689 20 0 HDADHN COc1cccc(-c2noc(SCC(=O)NC[C@@H](C)CN3CCN(C)CC3)n2)c1 ZINC000543586469 1075706613 /nfs/dbraw/zinc/70/66/13/1075706613.db2.gz CRXSNXUTKWRYPK-OAHLLOKOSA-N 0 3 419.551 1.837 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCNc1nc2ccccc2s1 ZINC000523209436 1075715217 /nfs/dbraw/zinc/71/52/17/1075715217.db2.gz KLZOJNJZYSMOQN-MRXNPFEDSA-N 0 3 418.567 1.950 20 0 HDADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000446793049 1075723604 /nfs/dbraw/zinc/72/36/04/1075723604.db2.gz BOSQGJOIKSUDBC-UHFFFAOYSA-N 0 3 403.430 2.036 20 0 HDADHN C[C@@H]1C[C@H]1c1cc(NC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)n[nH]1 ZINC000426269446 1075724266 /nfs/dbraw/zinc/72/42/66/1075724266.db2.gz WRWCBGQABPZWEJ-DGCLKSJQSA-N 0 3 412.450 1.580 20 0 HDADHN CN(CCN1CCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1)Cc1ccccc1 ZINC000429475906 1075739809 /nfs/dbraw/zinc/73/98/09/1075739809.db2.gz ZTIWRTXWLXXPQH-FQEVSTJZSA-N 0 3 415.582 1.845 20 0 HDADHN CN1CCN(CC2(C)CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 ZINC000543689330 1075747395 /nfs/dbraw/zinc/74/73/95/1075747395.db2.gz BEVMMNQMCRBFPY-UHFFFAOYSA-N 0 3 409.552 1.496 20 0 HDADHN CN(CCCN(C)C(=O)C(=O)Nc1ccn(Cc2ccncc2)n1)Cc1ccco1 ZINC000508558758 1075758949 /nfs/dbraw/zinc/75/89/49/1075758949.db2.gz UMERVJFCMWODED-UHFFFAOYSA-N 0 3 410.478 1.838 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCN2c3ccccc3C[C@@H]2C)CC1 ZINC000509446169 1075759024 /nfs/dbraw/zinc/75/90/24/1075759024.db2.gz FBESBHNUIFSPLN-SFHVURJKSA-N 0 3 401.555 1.633 20 0 HDADHN CN1CCC(Oc2ccc(NC(=O)C(=O)Nc3cc(C(C)(C)C)on3)cn2)CC1 ZINC000441913685 1075777780 /nfs/dbraw/zinc/77/77/80/1075777780.db2.gz WUOFXLLZBUIECW-UHFFFAOYSA-N 0 3 401.467 2.417 20 0 HDADHN CCOC(=O)CC[C@@H]1CCCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC000611036290 1075818394 /nfs/dbraw/zinc/81/83/94/1075818394.db2.gz JYEXORDXOCUMKQ-SFHVURJKSA-N 0 3 407.555 1.903 20 0 HDADHN COCc1c(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cnn1-c1ccccc1 ZINC000466653944 1075827212 /nfs/dbraw/zinc/82/72/12/1075827212.db2.gz KFQZPUWZIWPZPQ-LJQANCHMSA-N 0 3 411.506 1.397 20 0 HDADHN COC(=O)CCSc1cccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000611130235 1075847669 /nfs/dbraw/zinc/84/76/69/1075847669.db2.gz LHGBUALQRASWFR-INIZCTEOSA-N 0 3 405.520 1.881 20 0 HDADHN O=C(NCCCCN1CCN(CCO)CC1)c1csc(Cc2cccc(F)c2)n1 ZINC000509289882 1075850655 /nfs/dbraw/zinc/85/06/55/1075850655.db2.gz SOEYISDOECJMCS-UHFFFAOYSA-N 0 3 420.554 1.993 20 0 HDADHN C[NH+]1CCC(N2CC[C@@H](NC(=O)CCn3c(=O)c4ccccc4[n-]c3=S)C2)CC1 ZINC000732779572 1075852831 /nfs/dbraw/zinc/85/28/31/1075852831.db2.gz XIFDTBMCCQYZHH-OAHLLOKOSA-N 0 3 415.563 1.360 20 0 HDADHN NS(=O)(=O)c1cccc(NC(=O)CCN2CCC[C@H](N3CCCCC3=O)C2)c1 ZINC000732809829 1075872343 /nfs/dbraw/zinc/87/23/43/1075872343.db2.gz YXWYJNYBSSLFNP-INIZCTEOSA-N 0 3 408.524 1.140 20 0 HDADHN CCN1C[C@@H](C)N(CC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)C[C@@H]1C ZINC000611225412 1075880578 /nfs/dbraw/zinc/88/05/78/1075880578.db2.gz WIQIOKORADQSGB-NWDGAFQWSA-N 0 3 411.524 1.983 20 0 HDADHN COC(=O)C(C)(C)[C@H]1CCCN([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000611321385 1075899857 /nfs/dbraw/zinc/89/98/57/1075899857.db2.gz OHQRXCMKIGGIAC-SJORKVTESA-N 0 3 419.522 1.864 20 0 HDADHN CS[C@H]1CN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)C[C@H]1N(C)C ZINC000611331347 1075908842 /nfs/dbraw/zinc/90/88/42/1075908842.db2.gz IASZNLIQSWHCDN-BDAKNGLRSA-N 0 3 416.416 1.949 20 0 HDADHN CCCCCCN(C)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000732913848 1075911190 /nfs/dbraw/zinc/91/11/90/1075911190.db2.gz CZHCVVPXKRVOSO-LJQANCHMSA-N 0 3 418.586 1.910 20 0 HDADHN CCc1c(NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)cnn1CC(C)C ZINC000611367442 1075914118 /nfs/dbraw/zinc/91/41/18/1075914118.db2.gz CTIDMFULINUEDW-SFHVURJKSA-N 0 3 418.586 1.667 20 0 HDADHN COCCOc1ccccc1NC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000611367527 1075914636 /nfs/dbraw/zinc/91/46/36/1075914636.db2.gz QSJHGMZSFXJKOC-SFHVURJKSA-N 0 3 418.538 1.277 20 0 HDADHN C[C@H](NCC(=O)NC(=O)Nc1ccc2c(c1)OCO2)c1ccc(-n2cncn2)cc1 ZINC000611376867 1075923792 /nfs/dbraw/zinc/92/37/92/1075923792.db2.gz FVVHKWIZOFAPCD-ZDUSSCGKSA-N 0 3 408.418 1.995 20 0 HDADHN COC(=O)c1csc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccn2)c1C ZINC000611458669 1075940758 /nfs/dbraw/zinc/94/07/58/1075940758.db2.gz YVBPHWMJUHLQDJ-UHFFFAOYSA-N 0 3 404.492 1.767 20 0 HDADHN Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)ccc1N1C(=O)CCC1=O ZINC000733049139 1075955723 /nfs/dbraw/zinc/95/57/23/1075955723.db2.gz SFBBQWBKHNNHKE-INIZCTEOSA-N 0 3 414.506 1.824 20 0 HDADHN Cn1c2ncn(CCN3CCC4(CC3)OCCc3ccsc34)c2c(=O)n(C)c1=O ZINC000492812662 1075988992 /nfs/dbraw/zinc/98/89/92/1075988992.db2.gz ZIJPIHZSTNZQIB-UHFFFAOYSA-N 0 3 415.519 1.059 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)/C(=C/c2cccc(OC)c2)n2nnnc2C)CC1 ZINC000733159856 1075992485 /nfs/dbraw/zinc/99/24/85/1075992485.db2.gz YHGFYCKYFRXVRB-IEOAWGNMSA-N 0 3 413.526 1.130 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)CC1 ZINC000733161910 1075994278 /nfs/dbraw/zinc/99/42/78/1075994278.db2.gz MUWIAVJCRVSHTF-MOEXGYKKSA-N 0 3 400.527 1.461 20 0 HDADHN CCNS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](C)CN2CCN(CC)CC2)c1 ZINC000733171075 1076001530 /nfs/dbraw/zinc/00/15/30/1076001530.db2.gz VIMZEBMMWOCAKS-HNNXBMFYSA-N 0 3 414.547 1.127 20 0 HDADHN CNS(=O)(=O)[C@@H]1CCCN(C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000733210765 1076013312 /nfs/dbraw/zinc/01/33/12/1076013312.db2.gz DLBNQZBWIFZVIV-GOSISDBHSA-N 0 3 410.609 1.539 20 0 HDADHN COCCN(C)CCNC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000727033929 1076029885 /nfs/dbraw/zinc/02/98/85/1076029885.db2.gz ZDHLDEJPTSGZKH-UHFFFAOYSA-N 0 3 410.387 1.792 20 0 HDADHN COCCNC(=O)c1c2c(sc1NC(=O)CN[C@@H](C)Cn1cccn1)CCCC2 ZINC000733366134 1076054392 /nfs/dbraw/zinc/05/43/92/1076054392.db2.gz MMCDCNQPUQUMEX-AWEZNQCLSA-N 0 3 419.551 1.816 20 0 HDADHN O=C(CN1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1)NC1CC1 ZINC000053548460 1076058854 /nfs/dbraw/zinc/05/88/54/1076058854.db2.gz IYBCWVUZFLYMMC-KRWDZBQOSA-N 0 3 405.568 1.491 20 0 HDADHN COC(=O)CCc1nc(COC(=O)C2CCN(c3ccc(Cl)cc3)C2=O)no1 ZINC000733463102 1076074504 /nfs/dbraw/zinc/07/45/04/1076074504.db2.gz TUKMVLYLOQXSAR-CYBMUJFWSA-N 0 3 407.810 1.925 20 0 HDADHN COC(=O)CCCc1nc(COC(=O)C2CCN(c3ccc(F)c(F)c3)C2=O)no1 ZINC000733462623 1076081534 /nfs/dbraw/zinc/08/15/34/1076081534.db2.gz AKCIPFKJCOZNMA-LBPRGKRZSA-N 0 3 423.372 1.940 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H](CCC(N)=O)C3)cc2)CC1 ZINC000727231551 1076086328 /nfs/dbraw/zinc/08/63/28/1076086328.db2.gz QOMFSVVTIYSJJG-KRWDZBQOSA-N 0 3 415.538 1.271 20 0 HDADHN Cc1cc(NC[C@H](O)COc2ccc(I)cc2)nc(N)n1 ZINC000727432364 1076128270 /nfs/dbraw/zinc/12/82/70/1076128270.db2.gz JNXVINJBJJLCMX-NSHDSACASA-N 0 3 400.220 1.824 20 0 HDADHN COCCN(C)CCOc1cccc(CNC(=O)c2nn(C)c(=O)c3ccccc32)c1 ZINC000727745218 1076211705 /nfs/dbraw/zinc/21/17/05/1076211705.db2.gz SEYGYNGTIKGQKL-UHFFFAOYSA-N 0 3 424.501 1.821 20 0 HDADHN CC(C)N1CCCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)CC1 ZINC000727861350 1076275044 /nfs/dbraw/zinc/27/50/44/1076275044.db2.gz SJWBEBYXULYMFE-UHFFFAOYSA-N 0 3 408.549 1.854 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)CCN1C(=S)N=NC1c1ccc(OC)cc1 ZINC000727860096 1076275054 /nfs/dbraw/zinc/27/50/54/1076275054.db2.gz PSIXTEREIAFFAR-MRXNPFEDSA-N 0 3 419.551 1.860 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000727860284 1076275098 /nfs/dbraw/zinc/27/50/98/1076275098.db2.gz AXXVJXWFSKXIAU-ZDUSSCGKSA-N 0 3 403.932 1.431 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)N1CCCC[C@H]1C ZINC000728137414 1076340550 /nfs/dbraw/zinc/34/05/50/1076340550.db2.gz XSJJDJFHKSAIPW-CVEARBPZSA-N 0 3 406.502 1.980 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)N1CCCC[C@@H]1C ZINC000728137417 1076340859 /nfs/dbraw/zinc/34/08/59/1076340859.db2.gz XSJJDJFHKSAIPW-JKSUJKDBSA-N 0 3 406.502 1.980 20 0 HDADHN CC[C@H](CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCc2ccccc2C1 ZINC000728151762 1076348087 /nfs/dbraw/zinc/34/80/87/1076348087.db2.gz DTEJOEKANPANOE-YLJYHZDGSA-N 0 3 414.531 1.670 20 0 HDADHN CC(C)(C)OC(=O)N[C@@H]1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000730264904 1076506039 /nfs/dbraw/zinc/50/60/39/1076506039.db2.gz WYLJKRXGXLCYCP-QGZVFWFLSA-N 0 3 403.527 1.719 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCCN3CCCCC3=O)cc2)CC1 ZINC000730388867 1076568769 /nfs/dbraw/zinc/56/87/69/1076568769.db2.gz ZOYPGJHMNHFWIY-UHFFFAOYSA-N 0 3 415.538 1.286 20 0 HDADHN CN(C)CCN(Cc1ccccn1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000730547743 1076599022 /nfs/dbraw/zinc/59/90/22/1076599022.db2.gz CDEYNHXRAYFYEV-QFIPXVFZSA-N 0 3 409.490 1.439 20 0 HDADHN COCCN1CC[C@@H](NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC000730841934 1076671119 /nfs/dbraw/zinc/67/11/19/1076671119.db2.gz SBFQZIXIRPLYRP-AUSIDOKSSA-N 0 3 424.501 1.444 20 0 HDADHN CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000730917991 1076691522 /nfs/dbraw/zinc/69/15/22/1076691522.db2.gz BAQPQCLPLFTLBJ-KRWDZBQOSA-N 0 3 423.535 1.135 20 0 HDADHN COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000731039057 1076716645 /nfs/dbraw/zinc/71/66/45/1076716645.db2.gz PPADCFMAQMWDDO-MVGZEHJDSA-N 0 3 412.508 1.510 20 0 HDADHN O=C(c1cccnc1N1CC[C@@H]2NCCO[C@@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164390042 718823729 /nfs/dbraw/zinc/82/37/29/718823729.db2.gz LGYPANUCVBMCDK-FCHUYYIVSA-N 0 3 421.545 1.607 20 0 HDADHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1nc(Cl)ncc1C(=O)OCC1CC1 ZINC001164623945 719133355 /nfs/dbraw/zinc/13/33/55/719133355.db2.gz SMFJBNZNANGIQK-NSHDSACASA-N 0 3 404.801 1.193 20 0 HDADHN Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(c2cc(CN(C)C)ccn2)C3)nn1 ZINC001164635170 719266581 /nfs/dbraw/zinc/26/65/81/719266581.db2.gz HVRNXTGRVKTWCA-KNQAVFIVSA-N 0 3 412.538 1.966 20 0 HDADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)ncc1N1CCOCC1)CC2 ZINC001164687526 719720664 /nfs/dbraw/zinc/72/06/64/719720664.db2.gz YYYRCNZLIMTCCF-UHFFFAOYSA-N 0 3 408.934 1.147 20 0 HDADHN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(CN(C)C2CC2)cn1 ZINC001164705726 719871808 /nfs/dbraw/zinc/87/18/08/719871808.db2.gz OCWRWKKGYPETHG-KNQAVFIVSA-N 0 3 402.539 1.909 20 0 HDADHN CN(Cc1ccc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)nc1)C1CC1 ZINC001164709143 719926630 /nfs/dbraw/zinc/92/66/30/719926630.db2.gz ZKHNOTNWNVSQAT-UHFFFAOYSA-N 0 3 423.565 1.360 20 0 HDADHN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1ncccc1CN1CCCC1)CC2 ZINC001164709134 719937101 /nfs/dbraw/zinc/93/71/01/719937101.db2.gz YYFVFLRUHQQVCC-UHFFFAOYSA-N 0 3 423.565 1.361 20 0 HDADHN CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2c2ccc(CN(C)C3CC3)cn2)O1 ZINC001164723070 720323765 /nfs/dbraw/zinc/32/37/65/720323765.db2.gz GWKOYFPXKYGLJS-UFYCRDLUSA-N 0 3 402.539 1.907 20 0 HDADHN COC(=O)Cc1c(Cl)ncnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866865 721072977 /nfs/dbraw/zinc/07/29/77/721072977.db2.gz GJOSQVVIAXXTFC-JKSUJKDBSA-N 0 3 417.897 1.720 20 0 HDADHN C[C@@H]1C(=O)Nc2cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2N1C ZINC001164866657 721092516 /nfs/dbraw/zinc/09/25/16/721092516.db2.gz UNZNLTGTSQQPNA-PVAVHDDUSA-N 0 3 409.494 1.128 20 0 HDADHN CCc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(N2CCOCC2)n1 ZINC001164863321 721112160 /nfs/dbraw/zinc/11/21/60/721112160.db2.gz BVENSSUALDXAHV-LEWJYISDSA-N 0 3 424.549 1.750 20 0 HDADHN O=c1ccccn1-c1nccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164875488 721157884 /nfs/dbraw/zinc/15/78/84/721157884.db2.gz LRCDFYHCOHNCEO-RBUKOAKNSA-N 0 3 404.474 1.502 20 0 HDADHN CCc1cc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)nc(N2CCOCC2)n1 ZINC001164762684 721165190 /nfs/dbraw/zinc/16/51/90/721165190.db2.gz DDIJPCANVWQKMH-RTBURBONSA-N 0 3 411.554 1.567 20 0 HDADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc5c4NC(=O)CO5)C3)O2)CC1 ZINC001164883871 721413994 /nfs/dbraw/zinc/41/39/94/721413994.db2.gz CEBUCVMLHKAGRL-HRAATJIYSA-N 0 3 401.511 1.178 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164903134 721552829 /nfs/dbraw/zinc/55/28/29/721552829.db2.gz AVTNRZFURPHTEC-SJLPKXTDSA-N 0 3 420.510 1.813 20 0 HDADHN CNC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164904755 721566174 /nfs/dbraw/zinc/56/61/74/721566174.db2.gz FNPYLYFUHGJTOW-ZFWWWQNUSA-N 0 3 405.861 1.971 20 0 HDADHN Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4ncccc4CN4CCCC4)CC[C@@H]32)cn1 ZINC001164958732 722032407 /nfs/dbraw/zinc/03/24/07/722032407.db2.gz PQJIWFTYCDCCBE-HKBOAZHASA-N 0 3 424.549 1.682 20 0 HDADHN NC(=O)c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncc1Cl ZINC001164983416 722102934 /nfs/dbraw/zinc/10/29/34/722102934.db2.gz QAKOZIZJNWPUOO-QAPCUYQASA-N 0 3 401.898 1.956 20 0 HDADHN COC(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1OC ZINC001164975500 722103851 /nfs/dbraw/zinc/10/38/51/722103851.db2.gz CAOQNIBOGFQGNZ-PKOBYXMFSA-N 0 3 412.490 1.999 20 0 HDADHN NC(=O)c1ccc(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974936 722120143 /nfs/dbraw/zinc/12/01/43/722120143.db2.gz JCFZAYKNQDANOM-RDJZCZTQSA-N 0 3 401.898 1.956 20 0 HDADHN CCOC(=O)Cc1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164981471 722131651 /nfs/dbraw/zinc/13/16/51/722131651.db2.gz ORZZWLIGRSSTIY-UYAOXDASSA-N 0 3 411.506 1.705 20 0 HDADHN NC(=O)c1ccnc(Cl)c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972208 722152650 /nfs/dbraw/zinc/15/26/50/722152650.db2.gz GXOHXJZHALETCA-DOTOQJQBSA-N 0 3 401.898 1.956 20 0 HDADHN c1cnc(N2CCOC[C@]3(CN(c4ncccc4CN4CCCC4)CCO3)C2)nc1 ZINC001165002152 722247691 /nfs/dbraw/zinc/24/76/91/722247691.db2.gz XOYZHQNNGUXYPL-QFIPXVFZSA-N 0 3 410.522 1.580 20 0 HDADHN O=C(NC[C@@H]1CSCCN1Cc1ccccc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000429045242 1073460781 /nfs/dbraw/zinc/46/07/81/1073460781.db2.gz SMLRVVONRUBQRY-LEWJYISDSA-N 0 3 418.607 1.968 20 0 HDADHN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 ZINC000673658226 1073605182 /nfs/dbraw/zinc/60/51/82/1073605182.db2.gz GXYXRTXBMVGPEY-QZTJIDSGSA-N 0 3 401.555 1.708 20 0 HDADHN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000673672475 1073626791 /nfs/dbraw/zinc/62/67/91/1073626791.db2.gz ICOQYMUFYQWJDW-VXKWHMMOSA-N 0 3 400.567 1.564 20 0 HDADHN C[C@@H]1C[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C(=O)N1c1cnn(C)c1 ZINC000673684614 1073639745 /nfs/dbraw/zinc/63/97/45/1073639745.db2.gz BEILJMOPHFZHAS-YLJYHZDGSA-N 0 3 410.522 1.242 20 0 HDADHN Cc1ccc(OC[C@@H](O)CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c(C)c1 ZINC000642652252 1073694287 /nfs/dbraw/zinc/69/42/87/1073694287.db2.gz NTYRBPRJVUFKMB-FQEVSTJZSA-N 0 3 417.550 1.479 20 0 HDADHN COc1cc(C(=O)N(C)C)ccc1NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000429124749 1073696830 /nfs/dbraw/zinc/69/68/30/1073696830.db2.gz BNKHGNLVOORGQO-QGZVFWFLSA-N 0 3 419.526 1.461 20 0 HDADHN CNC(=O)CN1CCC(NC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)CC1 ZINC000673769145 1073713203 /nfs/dbraw/zinc/71/32/03/1073713203.db2.gz OXLONCHKKAEYDG-GOSISDBHSA-N 0 3 401.555 1.503 20 0 HDADHN O=C(NCCCN1CCN(c2ncccn2)CC1)Nc1cnn(-c2ccncc2)c1 ZINC000673809388 1073762265 /nfs/dbraw/zinc/76/22/65/1073762265.db2.gz BVEFTMYQLHNZGD-UHFFFAOYSA-N 0 3 407.482 1.391 20 0 HDADHN C[C@@H]1C[C@@H](NC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CN1Cc1ccccc1 ZINC000466541961 1073799139 /nfs/dbraw/zinc/79/91/39/1073799139.db2.gz SSZGIYJEKYGUOR-RHSMWYFYSA-N 0 3 422.489 1.417 20 0 HDADHN CN(C)c1nc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cs1 ZINC000673882199 1073854643 /nfs/dbraw/zinc/85/46/43/1073854643.db2.gz YAKPYAUCMZUSEY-WMZOPIPTSA-N 0 3 403.552 1.891 20 0 HDADHN COc1cc(OC)cc(N2CC[C@@H](N3CCCN(C[C@@H]4CCCO4)CC3)C2=O)c1 ZINC000673914958 1073886556 /nfs/dbraw/zinc/88/65/56/1073886556.db2.gz JKFCAKDQXKEYQO-GHTZIAJQSA-N 0 3 403.523 1.996 20 0 HDADHN CC(C)NS(=O)(=O)NCCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000429183680 1073993199 /nfs/dbraw/zinc/99/31/99/1073993199.db2.gz PCWYKQNSQARGDU-GOSISDBHSA-N 0 3 411.572 1.125 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCCC[C@@H]1C ZINC000543533366 1074029307 /nfs/dbraw/zinc/02/93/07/1074029307.db2.gz UBJWUWHHCLRYGK-LSDHHAIUSA-N 0 3 422.551 1.445 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CC[C@@H](NC(=O)NC)C2)CC1 ZINC000466584094 1074030864 /nfs/dbraw/zinc/03/08/64/1074030864.db2.gz JMQFCZIQSDDOQQ-LJQANCHMSA-N 0 3 402.543 1.037 20 0 HDADHN COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000543534218 1074033693 /nfs/dbraw/zinc/03/36/93/1074033693.db2.gz XEJZNWYFBSTMPU-INIZCTEOSA-N 0 3 416.522 1.397 20 0 HDADHN O=C(CNC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCC1)N(C1CC1)C1CCCC1 ZINC001273122410 1074037609 /nfs/dbraw/zinc/03/76/09/1074037609.db2.gz QOZURSFZJATGOS-IYWGDAJJSA-N 0 3 401.551 1.972 20 0 HDADHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000674002870 1074040231 /nfs/dbraw/zinc/04/02/31/1074040231.db2.gz WTSJOUAEAYIBIA-UHFFFAOYSA-N 0 3 407.492 1.923 20 0 HDADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000674039299 1074112484 /nfs/dbraw/zinc/11/24/84/1074112484.db2.gz NGNCSSANNSQXGV-UHFFFAOYSA-N 0 3 422.482 1.098 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@](C)(O)CSc1cccc(F)c1 ZINC000509210756 1074133595 /nfs/dbraw/zinc/13/35/95/1074133595.db2.gz LKNDFOIERPEAPV-XLIONFOSSA-N 0 3 411.543 1.728 20 0 HDADHN CNc1nc(NC[C@@]2(C)CCO[C@@H]2C2CC2)nc(NC[C@]2(C)CCO[C@@H]2C2CC2)n1 ZINC000466622123 1074143128 /nfs/dbraw/zinc/14/31/28/1074143128.db2.gz XGQYYHAKZQSQFG-ZYOFANERSA-N 0 3 416.570 1.413 20 0 HDADHN O=C(Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000674056643 1074157862 /nfs/dbraw/zinc/15/78/62/1074157862.db2.gz NRBWHGFOBZDISP-HZPDHXFCSA-N 0 3 405.524 1.598 20 0 HDADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000543578062 1074160507 /nfs/dbraw/zinc/16/05/07/1074160507.db2.gz TXBUUYUJFJOTNQ-PWRODBHTSA-N 0 3 411.502 1.862 20 0 HDADHN CC(C)N(CCCNC(=O)CN1CC[C@@H](N(C)Cc2ccccc2)C1)S(C)(=O)=O ZINC000674251749 1074243780 /nfs/dbraw/zinc/24/37/80/1074243780.db2.gz PKDCJULAYXEZLP-HXUWFJFHSA-N 0 3 424.611 1.369 20 0 HDADHN COCCN1CCC(NC(=O)N2CCN(C(=O)c3ccccc3OC)CC2)CC1 ZINC000140307661 1074256048 /nfs/dbraw/zinc/25/60/48/1074256048.db2.gz FKOLIOWBHKJUNK-UHFFFAOYSA-N 0 3 404.511 1.273 20 0 HDADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000674315630 1074265651 /nfs/dbraw/zinc/26/56/51/1074265651.db2.gz KZRUUQOQQWJUGY-MRXNPFEDSA-N 0 3 420.535 1.286 20 0 HDADHN COC1CCN(CCNC(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000674316697 1074265967 /nfs/dbraw/zinc/26/59/67/1074265967.db2.gz HGZDVHVXYYVLMR-LJQANCHMSA-N 0 3 403.527 1.369 20 0 HDADHN COC1CCN(CCNC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000674323348 1074273911 /nfs/dbraw/zinc/27/39/11/1074273911.db2.gz BGCWIBCGFCMNGQ-OTWHNJEPSA-N 0 3 405.539 1.579 20 0 HDADHN COC1CCN(CCNC(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000674326516 1074276407 /nfs/dbraw/zinc/27/64/07/1074276407.db2.gz FTZJREQSAITFRP-UHFFFAOYSA-N 0 3 417.554 1.135 20 0 HDADHN COC1CCN(CCNC(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000674328173 1074276784 /nfs/dbraw/zinc/27/67/84/1074276784.db2.gz KMZJIMASCCJJSJ-HNNXBMFYSA-N 0 3 412.556 1.408 20 0 HDADHN COC1CCN(CCNC(=O)NC[C@@H](c2cccc(C)c2)N2CCOCC2)CC1 ZINC000674327802 1074277445 /nfs/dbraw/zinc/27/74/45/1074277445.db2.gz AUNUXDWMNYCDCV-NRFANRHFSA-N 0 3 404.555 1.778 20 0 HDADHN COC1CCN(CCNC(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)CC1 ZINC000674329920 1074279167 /nfs/dbraw/zinc/27/91/67/1074279167.db2.gz UTOJMRWPCWMGOE-SFHVURJKSA-N 0 3 404.559 1.002 20 0 HDADHN CCS(=O)(=O)Nc1ccc(NC(=O)NCCN2CCC(OC)CC2)cc1OC ZINC000674317580 1074279636 /nfs/dbraw/zinc/27/96/36/1074279636.db2.gz TUPLHXPPFHRLNY-UHFFFAOYSA-N 0 3 414.528 1.689 20 0 HDADHN COc1cc(OC)cc(N2CC[C@@H](NC(=O)NCCN3CCC(OC)CC3)C2=O)c1 ZINC000674332997 1074286743 /nfs/dbraw/zinc/28/67/43/1074286743.db2.gz RNMSFZICTWNROL-LJQANCHMSA-N 0 3 420.510 1.219 20 0 HDADHN CS(=O)(=O)CC1CCN(CCCCCN2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000429229535 1074319476 /nfs/dbraw/zinc/31/94/76/1074319476.db2.gz HWPOFKRACSFPTB-UHFFFAOYSA-N 0 3 422.657 1.670 20 0 HDADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN[C@@H]1Cc2cccc(O)c2C1 ZINC000429229571 1074319583 /nfs/dbraw/zinc/31/95/83/1074319583.db2.gz WKFQNGQQYISKAH-IUODEOHRSA-N 0 3 401.488 1.074 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1=O ZINC000674433617 1074332462 /nfs/dbraw/zinc/33/24/62/1074332462.db2.gz OOWNNBBYECCFBN-SPEDKVCISA-N 0 3 413.522 1.671 20 0 HDADHN COC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000674479739 1074379341 /nfs/dbraw/zinc/37/93/41/1074379341.db2.gz VDLFUDUBIXHINF-MOPGFXCFSA-N 0 3 416.522 1.429 20 0 HDADHN CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)CCN2CCN(c3ccccc3)CC2)C1=O ZINC000674583906 1074464582 /nfs/dbraw/zinc/46/45/82/1074464582.db2.gz NCVPCRWCTCYABJ-HTAPYJJXSA-N 0 3 413.522 1.035 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(COC(C)(C)C)cc1)CN1CCN(C)CC1 ZINC000674585359 1074465090 /nfs/dbraw/zinc/46/50/90/1074465090.db2.gz BYTHSBRIJWEXNN-KRWDZBQOSA-N 0 3 404.555 1.940 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1ccc(COC(C)(C)C)cc1)CN1CCN(C)CC1 ZINC000674585360 1074465565 /nfs/dbraw/zinc/46/55/65/1074465565.db2.gz BYTHSBRIJWEXNN-QGZVFWFLSA-N 0 3 404.555 1.940 20 0 HDADHN Cc1ccc([C@@H](CNC(=O)N(C)CCN2CCCS2(=O)=O)N2CCCC2)cc1 ZINC000674624081 1074483323 /nfs/dbraw/zinc/48/33/23/1074483323.db2.gz QXSLWVRMEBWHMP-LJQANCHMSA-N 0 3 408.568 1.809 20 0 HDADHN CN(CCN1CCCS1(=O)=O)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000674615734 1074486488 /nfs/dbraw/zinc/48/64/88/1074486488.db2.gz SYWVYJOYWLYXID-UHFFFAOYSA-N 0 3 404.602 1.025 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1=O ZINC000674617478 1074487145 /nfs/dbraw/zinc/48/71/45/1074487145.db2.gz ZBPFZYUEVGSWMT-MDOVXXIYSA-N 0 3 419.551 1.905 20 0 HDADHN Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 ZINC000674638016 1074497664 /nfs/dbraw/zinc/49/76/64/1074497664.db2.gz BPXRTDGNDKXXMR-GCJKJVERSA-N 0 3 415.538 1.789 20 0 HDADHN CC[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)C(=O)N1CCOCC1 ZINC000674647197 1074503889 /nfs/dbraw/zinc/50/38/89/1074503889.db2.gz HTJJMJMCMXRHAZ-UYAOXDASSA-N 0 3 402.539 1.930 20 0 HDADHN NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(CN3CCC(O)CC3)c2)cc1 ZINC000674756425 1074549154 /nfs/dbraw/zinc/54/91/54/1074549154.db2.gz BIBTYDKBQFDCMB-UHFFFAOYSA-N 0 3 417.531 1.862 20 0 HDADHN Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000674757114 1074549950 /nfs/dbraw/zinc/54/99/50/1074549950.db2.gz WLRLHOSUOFHWOX-UHFFFAOYSA-N 0 3 403.504 1.851 20 0 HDADHN C[C@@H]1CN(c2ccc(NC(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)cc2)CCO1 ZINC000766068451 1074561460 /nfs/dbraw/zinc/56/14/60/1074561460.db2.gz CBMQPLLTSKGBEI-XLIONFOSSA-N 0 3 415.538 1.682 20 0 HDADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000674790395 1074567809 /nfs/dbraw/zinc/56/78/09/1074567809.db2.gz GHOYYCLHNRVMIF-LPHOPBHVSA-N 0 3 419.551 1.430 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000674917454 1074614690 /nfs/dbraw/zinc/61/46/90/1074614690.db2.gz JTQZAWZDSLLPTD-FGZHOGPDSA-N 0 3 416.566 1.914 20 0 HDADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000766086140 1074659131 /nfs/dbraw/zinc/65/91/31/1074659131.db2.gz ZCOGNTRXBMRLKN-GOSISDBHSA-N 0 3 415.494 1.722 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)N1CCCC1 ZINC000142545911 1074696903 /nfs/dbraw/zinc/69/69/03/1074696903.db2.gz SAGXCDSIVXNLDK-KRWDZBQOSA-N 0 3 400.523 1.781 20 0 HDADHN CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CCN2C1=O ZINC000675084167 1074700641 /nfs/dbraw/zinc/70/06/41/1074700641.db2.gz MRFYEBJZQLQEKA-GJZGRUSLSA-N 0 3 405.524 1.563 20 0 HDADHN O=C(CN[C@H]1Cc2cccc(O)c2C1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000429317776 1074713085 /nfs/dbraw/zinc/71/30/85/1074713085.db2.gz PGGCYCXASQROTO-WMZOPIPTSA-N 0 3 406.548 1.797 20 0 HDADHN C[C@@H](NC(=O)[C@H](C)N[C@H]1Cc2cccc(O)c2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000429321978 1074756192 /nfs/dbraw/zinc/75/61/92/1074756192.db2.gz GUIWZOQSWMOGDF-WWGRRREGSA-N 0 3 403.504 1.362 20 0 HDADHN CN(C)S(=O)(=O)c1cc(NC(=O)CN[C@@H]2Cc3cccc(O)c3C2)ccc1Cl ZINC000429322861 1074763328 /nfs/dbraw/zinc/76/33/28/1074763328.db2.gz PKEDUFGZQQAQSH-CQSZACIVSA-N 0 3 423.922 1.991 20 0 HDADHN Cc1cc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)nn1-c1ccccc1Cl ZINC000442344787 1074763702 /nfs/dbraw/zinc/76/37/02/1074763702.db2.gz QMEVUWQJIGXGNN-AWEZNQCLSA-N 0 3 401.898 2.539 20 0 HDADHN O=C(NCCCn1cncn1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000143053496 1075090681 /nfs/dbraw/zinc/09/06/81/1075090681.db2.gz HZJYEGJTTVTZDT-UHFFFAOYSA-N 0 3 402.524 1.014 20 0 HDADHN O=C(CNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)NC1CCCC1 ZINC000143203607 1075094544 /nfs/dbraw/zinc/09/45/44/1075094544.db2.gz CLXNRZJPNYHUHH-UHFFFAOYSA-N 0 3 418.563 1.391 20 0 HDADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000675403211 1075127124 /nfs/dbraw/zinc/12/71/24/1075127124.db2.gz CARYXPFQRNGJNC-GUYCJALGSA-N 0 3 424.904 1.691 20 0 HDADHN COc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CCCN(C)C2)N2CCCCC2)cc1 ZINC000670527675 1075152407 /nfs/dbraw/zinc/15/24/07/1075152407.db2.gz WBRROWLNDZZMAA-QUCCMNQESA-N 0 3 402.539 1.549 20 0 HDADHN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000429349557 1075162788 /nfs/dbraw/zinc/16/27/88/1075162788.db2.gz NJBODGPAXZOQOJ-QGZVFWFLSA-N 0 3 405.543 1.367 20 0 HDADHN Cc1ccc([C@H](O)CN[C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)o1 ZINC000766140870 1075163665 /nfs/dbraw/zinc/16/36/65/1075163665.db2.gz LNZJKQLLHJAIIO-XJKSGUPXSA-N 0 3 416.521 1.698 20 0 HDADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000144182069 1075164572 /nfs/dbraw/zinc/16/45/72/1075164572.db2.gz JRCNHHWKHMBLIW-IAGOWNOFSA-N 0 3 412.534 1.916 20 0 HDADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1nn([C@@H](C)c2ccccc2)cc1C ZINC000472432171 1075166222 /nfs/dbraw/zinc/16/62/22/1075166222.db2.gz XEEHVHBVFLODHQ-KRWDZBQOSA-N 0 3 401.511 1.776 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2O1 ZINC000675491314 1075175211 /nfs/dbraw/zinc/17/52/11/1075175211.db2.gz IUGSADLMIFLCTL-MRXNPFEDSA-N 0 3 403.504 1.906 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)C2CCN(c3ccc4nncn4n3)CC2)c2ccccc2O1 ZINC000675490475 1075175295 /nfs/dbraw/zinc/17/52/95/1075175295.db2.gz CXJQLNCVOYZDEM-QGZVFWFLSA-N 0 3 421.505 1.697 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)c2ccccc2O1 ZINC000675491460 1075175623 /nfs/dbraw/zinc/17/56/23/1075175623.db2.gz NBUYSWSRRWPYLJ-SFHVURJKSA-N 0 3 417.531 1.748 20 0 HDADHN CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)c1 ZINC000675511216 1075189713 /nfs/dbraw/zinc/18/97/13/1075189713.db2.gz CYNDGQXQHSDHIC-INIZCTEOSA-N 0 3 403.504 1.954 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000675537465 1075194536 /nfs/dbraw/zinc/19/45/36/1075194536.db2.gz AWNVHDQUDGUSIO-CRAIPNDOSA-N 0 3 415.490 1.180 20 0 HDADHN C[C@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000675538038 1075194911 /nfs/dbraw/zinc/19/49/11/1075194911.db2.gz PZQUUNUASKNUOH-DYESRHJHSA-N 0 3 404.530 1.706 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675558554 1075202937 /nfs/dbraw/zinc/20/29/37/1075202937.db2.gz LGFQNTQARSKTFJ-ZWKOTPCHSA-N 0 3 407.559 1.019 20 0 HDADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)Nc3cnn(CC4CC4)c3)c2)CC1 ZINC000675601617 1075218189 /nfs/dbraw/zinc/21/81/89/1075218189.db2.gz KJKBIGLKCMCZBF-UHFFFAOYSA-N 0 3 424.505 1.568 20 0 HDADHN CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)c2)n1 ZINC000675607717 1075225057 /nfs/dbraw/zinc/22/50/57/1075225057.db2.gz ONTDXCBKAFPFPA-UHFFFAOYSA-N 0 3 423.477 1.747 20 0 HDADHN C[C@@H](NCCN1CCN(S(C)(=O)=O)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000675820251 1075277297 /nfs/dbraw/zinc/27/72/97/1075277297.db2.gz YNKOJTDSQVLQHD-CQSZACIVSA-N 0 3 412.947 1.149 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cccc(CN3CCCC3=O)c2)CC1 ZINC000675837898 1075280687 /nfs/dbraw/zinc/28/06/87/1075280687.db2.gz XTGQHZLTYWJHPT-IBGZPJMESA-N 0 3 413.522 1.579 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)COCc2nc3ccccc3s2)CC1 ZINC000675916341 1075290822 /nfs/dbraw/zinc/29/08/22/1075290822.db2.gz GYDIZQNKGGULNM-INIZCTEOSA-N 0 3 402.520 1.578 20 0 HDADHN CCOc1ccc(NC(=O)CN2CCN(C(=O)N[C@H]3CCCN(C)C3)CC2)cc1 ZINC000675963922 1075310503 /nfs/dbraw/zinc/31/05/03/1075310503.db2.gz VNISPVKQZUXYNB-SFHVURJKSA-N 0 3 403.527 1.445 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2noc(-c3cccs3)n2)CC1 ZINC000675967247 1075311498 /nfs/dbraw/zinc/31/14/98/1075311498.db2.gz CZKAIFYIALNFTH-CYBMUJFWSA-N 0 3 404.496 1.246 20 0 HDADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000443841561 1075313120 /nfs/dbraw/zinc/31/31/20/1075313120.db2.gz LBEWADOWPZOSRH-WMLDXEAASA-N 0 3 415.494 1.651 20 0 HDADHN CCOC(=O)c1cn(C)nc1NC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000541447721 1075320748 /nfs/dbraw/zinc/32/07/48/1075320748.db2.gz AEFFMONLDAXGFA-UHFFFAOYSA-N 0 3 414.510 1.666 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@]1(O)CCCc2ccccc21 ZINC000731404347 1075331174 /nfs/dbraw/zinc/33/11/74/1075331174.db2.gz ARYNTAZETRDGIN-SIKLNZKXSA-N 0 3 402.539 1.452 20 0 HDADHN CN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)CCOC(C)(C)C ZINC000676041799 1075338374 /nfs/dbraw/zinc/33/83/74/1075338374.db2.gz OCUXBOKHLDFVLM-UHFFFAOYSA-N 0 3 400.541 1.833 20 0 HDADHN CN(C)[C@H]1Cc2ccccc2N(C(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C1 ZINC000731468294 1075357734 /nfs/dbraw/zinc/35/77/34/1075357734.db2.gz FINAWOUJJVCJTP-FXAWDEMLSA-N 0 3 409.465 1.765 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NC2CCN(c3nccs3)CC2)CC1 ZINC000466712814 1075363019 /nfs/dbraw/zinc/36/30/19/1075363019.db2.gz ZJOVZRZKABIWIH-UHFFFAOYSA-N 0 3 408.572 1.308 20 0 HDADHN CN(C)[C@@H]1Cc2ccccc2N(C(=S)NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000731490759 1075367209 /nfs/dbraw/zinc/36/72/09/1075367209.db2.gz SQOZMUQAAVCRHF-MRXNPFEDSA-N 0 3 404.561 1.701 20 0 HDADHN COCCOCC(=O)NC1CCC(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)CC1 ZINC000731479011 1075371054 /nfs/dbraw/zinc/37/10/54/1075371054.db2.gz MWKIAKKTNUZIGC-LYBXBRPPSA-N 0 3 417.550 1.844 20 0 HDADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCNc1ccc2ccccc2n1 ZINC000583231561 1075372491 /nfs/dbraw/zinc/37/24/91/1075372491.db2.gz NGXOVNZWHVHOTG-UHFFFAOYSA-N 0 3 421.501 2.472 20 0 HDADHN O=C(Nc1cnn(-c2ccncc2)c1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000676090327 1075375201 /nfs/dbraw/zinc/37/52/01/1075375201.db2.gz XWTQAHFLJPPFNV-GOSISDBHSA-N 0 3 404.474 1.987 20 0 HDADHN CNC(=O)Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000676124394 1075395518 /nfs/dbraw/zinc/39/55/18/1075395518.db2.gz HYYYXSUOSFLYSX-FPOVZHCZSA-N 0 3 410.518 1.980 20 0 HDADHN COc1ccc(Cn2ccc(NC(=O)C(=O)N[C@@H](C)CN3CCC[C@@H](C)C3)n2)cc1 ZINC000426674504 1075403921 /nfs/dbraw/zinc/40/39/21/1075403921.db2.gz KDHFDWXSXOVCJR-SJORKVTESA-N 0 3 413.522 2.115 20 0 HDADHN Cc1ccc(N2CCC[C@@H](NCc3cnn([C@@]4(C)CCS(=O)(=O)C4)c3)C2)nn1 ZINC000676200192 1075434993 /nfs/dbraw/zinc/43/49/93/1075434993.db2.gz YUKKXLNKMWTDBS-MJGOQNOKSA-N 0 3 404.540 1.274 20 0 HDADHN CN(C(=O)CCNCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000676238791 1075442598 /nfs/dbraw/zinc/44/25/98/1075442598.db2.gz XXGYCEBPTLPQRZ-UHFFFAOYSA-N 0 3 417.531 1.850 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)N[C@H](C)[C@@H]3CN(C)CCO3)cc2)CC1 ZINC000676243098 1075443991 /nfs/dbraw/zinc/44/39/91/1075443991.db2.gz IKHMWYKDJSYDNX-NQIIRXRSSA-N 0 3 403.571 1.342 20 0 HDADHN Cc1cccc(N2CCN(CCCCNC(=O)N[C@H](C)[C@H]3CN(C)CCO3)CC2)c1 ZINC000676243162 1075444012 /nfs/dbraw/zinc/44/40/12/1075444012.db2.gz JVKFDXUZKQNUCC-IFMALSPDSA-N 0 3 417.598 1.916 20 0 HDADHN Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000473479768 1075449259 /nfs/dbraw/zinc/44/92/59/1075449259.db2.gz JPSPLQMUQWADPS-KRWDZBQOSA-N 0 3 404.559 1.777 20 0 HDADHN COc1ccc([C@@H](CN(C)C)NC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)cc1 ZINC000551510103 1075453785 /nfs/dbraw/zinc/45/37/85/1075453785.db2.gz RLWWJTHTTRKTIR-GOSISDBHSA-N 0 3 408.462 1.634 20 0 HDADHN CCn1nc2c(cc1=O)CN(CC[C@H](C)N1CCc3nn(CC)c(=O)cc3C1)CC2 ZINC000676252487 1075470627 /nfs/dbraw/zinc/47/06/27/1075470627.db2.gz OQSSNEMZPHPVGJ-INIZCTEOSA-N 0 3 412.538 1.035 20 0 HDADHN COc1cccc(Cc2nnc(NC(=O)N(C)C[C@@H]3C[C@H](OC)CN3C)s2)c1 ZINC000436857593 1075474363 /nfs/dbraw/zinc/47/43/63/1075474363.db2.gz BCMPAVDYMKDCJU-HOCLYGCPSA-N 0 3 405.524 2.320 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000543669886 1075510554 /nfs/dbraw/zinc/51/05/54/1075510554.db2.gz LMFKADVDVGZZRN-VAMGGRTRSA-N 0 3 418.513 1.994 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000731754704 1075511844 /nfs/dbraw/zinc/51/18/44/1075511844.db2.gz AHUBOKSWIZLKOA-HUUCEWRRSA-N 0 3 412.487 1.350 20 0 HDADHN COc1ccc([C@@H]2[C@@H](C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC(=O)N2C)cc1 ZINC000676344171 1075516771 /nfs/dbraw/zinc/51/67/71/1075516771.db2.gz IJSIJZMGMBWNMV-SLYNCCJLSA-N 0 3 401.507 1.584 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000676343482 1075517417 /nfs/dbraw/zinc/51/74/17/1075517417.db2.gz QYQXOQKUAAQYNV-QZTJIDSGSA-N 0 3 415.490 1.389 20 0 HDADHN CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NC1CCN([C@H]3CCOC3)CC1)C2=O ZINC000676345121 1075517896 /nfs/dbraw/zinc/51/78/96/1075517896.db2.gz WMQHCFOUNNPIBG-KKSFZXQISA-N 0 3 406.527 1.247 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000676344575 1075518668 /nfs/dbraw/zinc/51/86/68/1075518668.db2.gz PLKXGYPEIJUWDV-IBGZPJMESA-N 0 3 421.563 1.457 20 0 HDADHN CCOc1ccc(-n2ncc(C(=O)NC3CCN([C@H]4CCOC4)CC3)c2C)nn1 ZINC000676344328 1075518688 /nfs/dbraw/zinc/51/86/88/1075518688.db2.gz AMBUJOKDIGJTGP-INIZCTEOSA-N 0 3 400.483 1.353 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000676344576 1075518713 /nfs/dbraw/zinc/51/87/13/1075518713.db2.gz PLKXGYPEIJUWDV-LJQANCHMSA-N 0 3 421.563 1.457 20 0 HDADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC2CCN([C@@H]3CCOC3)CC2)C(C)C)cc1 ZINC000676345490 1075519583 /nfs/dbraw/zinc/51/95/83/1075519583.db2.gz ORZZENSITFHCMI-QUCCMNQESA-N 0 3 423.579 1.667 20 0 HDADHN CCN1CCN(c2ccc(NS(=O)(=O)c3cccc(-n4cnnn4)c3)cc2)CC1 ZINC000731780943 1075522450 /nfs/dbraw/zinc/52/24/50/1075522450.db2.gz MZOAJCSBUYTWCA-UHFFFAOYSA-N 0 3 413.507 1.605 20 0 HDADHN COc1cc(CN[C@@H]2CC(=O)N3CCCC[C@@H]23)ccc1OCC(=O)N1CCCC1 ZINC000509408809 1075528743 /nfs/dbraw/zinc/52/87/43/1075528743.db2.gz BMFWWSMUMWKZIB-MSOLQXFVSA-N 0 3 401.507 1.939 20 0 HDADHN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](N(C)C)C2)ccc1Br ZINC000731851116 1075533387 /nfs/dbraw/zinc/53/33/87/1075533387.db2.gz HPJFRRDVECAEIV-NSHDSACASA-N 0 3 405.314 1.950 20 0 HDADHN Cc1c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)sc2nc3n(c(=O)c12)CCC3 ZINC000676392358 1075541479 /nfs/dbraw/zinc/54/14/79/1075541479.db2.gz FKZDHKJJCVZXNV-CQSZACIVSA-N 0 3 402.520 1.696 20 0 HDADHN CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000676393575 1075541787 /nfs/dbraw/zinc/54/17/87/1075541787.db2.gz QDVSKPWHQWOREZ-PMACEKPBSA-N 0 3 402.539 1.880 20 0 HDADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H](O)Cc3ccccc3)cc2)CC1 ZINC000509413461 1075555279 /nfs/dbraw/zinc/55/52/79/1075555279.db2.gz CPUGBCWHKMHYIM-QFIPXVFZSA-N 0 3 424.545 1.482 20 0 HDADHN C[C@@H](c1cc(F)ccc1N1CCN(C)CC1)N1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O ZINC000804154302 1075555567 /nfs/dbraw/zinc/55/55/67/1075555567.db2.gz RIOJBMQDMXFTPN-GUYCJALGSA-N 0 3 400.458 1.525 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)c2cnn(CC(=O)NC3CCCC3)c2)c2ccccc2O1 ZINC000676476044 1075564489 /nfs/dbraw/zinc/56/44/89/1075564489.db2.gz MODMECKVYLRQBE-SFHVURJKSA-N 0 3 411.506 1.911 20 0 HDADHN CCn1c(=O)c2ccccc2n(CC(=O)NC[C@H](C)N(C)Cc2ccccc2)c1=O ZINC000732002540 1075584461 /nfs/dbraw/zinc/58/44/61/1075584461.db2.gz UQCBZLKNEYIQDT-KRWDZBQOSA-N 0 3 408.502 1.820 20 0 HDADHN C[C@@H](NC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1)[C@@H](c1ccccc1)N(C)C ZINC000441710308 1075585679 /nfs/dbraw/zinc/58/56/79/1075585679.db2.gz YWUHPJSDQNMWFF-UZLBHIALSA-N 0 3 406.490 2.073 20 0 HDADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c1 ZINC000509423111 1075589642 /nfs/dbraw/zinc/58/96/42/1075589642.db2.gz DSCGPQOCNYWABP-OAHLLOKOSA-N 0 3 415.581 1.480 20 0 HDADHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C1 ZINC000484150327 1075603640 /nfs/dbraw/zinc/60/36/40/1075603640.db2.gz YAKBFINFFJJABW-CQSZACIVSA-N 0 3 404.902 1.766 20 0 HDADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ncccc3F)n2)CCN(C2CCC2)C1 ZINC000645675208 1075609015 /nfs/dbraw/zinc/60/90/15/1075609015.db2.gz SYBRTULEGOCQGA-AWEZNQCLSA-N 0 3 400.458 1.678 20 0 HDADHN CN1CCC(Oc2ccc(NC(=O)C(=O)NC[C@@H](O)Cc3ccccc3)cn2)CC1 ZINC000509427700 1075635041 /nfs/dbraw/zinc/63/50/41/1075635041.db2.gz ZWJTWTDWVQHZJY-SFHVURJKSA-N 0 3 412.490 1.213 20 0 HDADHN O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 ZINC000732112849 1075635112 /nfs/dbraw/zinc/63/51/12/1075635112.db2.gz HLSSWMZOLJNNSU-OAQYLSRUSA-N 0 3 421.497 1.910 20 0 HDADHN CNC(=O)Cc1ccc(NC(=O)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000676659012 1075641410 /nfs/dbraw/zinc/64/14/10/1075641410.db2.gz IFCDHDCWARXZLY-INIZCTEOSA-N 0 3 423.517 1.650 20 0 HDADHN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)Nc1ccc(C)cc1CN(C)C ZINC000676730963 1075664283 /nfs/dbraw/zinc/66/42/83/1075664283.db2.gz YYCQCIGWGDVTEO-UHFFFAOYSA-N 0 3 419.493 1.873 20 0 HDADHN CN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)[C@H]1CCN(C2CC2)C1 ZINC000732214746 1075669911 /nfs/dbraw/zinc/66/99/11/1075669911.db2.gz VKJGAGJTZXBOMR-PGRDOPGGSA-N 0 3 413.522 1.129 20 0 HDADHN CC(C)N1CC[C@@H](N(C)CCC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1=O ZINC001036603422 1075673784 /nfs/dbraw/zinc/67/37/84/1075673784.db2.gz JWBSXRCMDAVTKZ-ZPLOVTKXSA-N 0 3 403.567 1.980 20 0 HDADHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)C1 ZINC000425996168 1075686173 /nfs/dbraw/zinc/68/61/73/1075686173.db2.gz OJAWWVAHBJFTCT-GOEBONIOSA-N 0 3 401.540 1.787 20 0 HDADHN Cn1nnc2cc(CN3CC[C@@H]4CCN(C(=O)[C@@H]5C[C@@H]6O[C@H]5[C@H]5C[C@H]56)C[C@@H]43)ccc21 ZINC001084992707 1075697869 /nfs/dbraw/zinc/69/78/69/1075697869.db2.gz OLBSYISINCKSFJ-JNYIRXQFSA-N 0 3 407.518 1.815 20 0 HDADHN C[C@@H]1C[C@@H](NC(=O)Nc2ccn(CCN3CCOCC3)n2)CN1Cc1ccccc1 ZINC000467478466 1075715146 /nfs/dbraw/zinc/71/51/46/1075715146.db2.gz ORSPFCINYPKCBE-UYAOXDASSA-N 0 3 412.538 2.000 20 0 HDADHN CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000446894400 1075723727 /nfs/dbraw/zinc/72/37/27/1075723727.db2.gz MHHZFJMSBLARTL-UHFFFAOYSA-N 0 3 407.515 2.504 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccccc2CN2CCOCC2)CC1 ZINC000509263572 1075753993 /nfs/dbraw/zinc/75/39/93/1075753993.db2.gz MFZVADICXCHHBJ-UHFFFAOYSA-N 0 3 417.554 1.537 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)N(C)C ZINC000732478160 1075757590 /nfs/dbraw/zinc/75/75/90/1075757590.db2.gz CJBALAZSTZOCQK-CQSZACIVSA-N 0 3 404.511 1.985 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)N(C)Cc1ccccc1 ZINC000732479971 1075758457 /nfs/dbraw/zinc/75/84/57/1075758457.db2.gz CIRVQVKFUKZGDG-QGZVFWFLSA-N 0 3 423.517 1.198 20 0 HDADHN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462185958 1075764461 /nfs/dbraw/zinc/76/44/61/1075764461.db2.gz IRTXQVXPTOKTNM-IFXJQAMLSA-N 0 3 407.522 1.893 20 0 HDADHN Nc1nsc(N2CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)CC2)n1 ZINC000494425150 1075768815 /nfs/dbraw/zinc/76/88/15/1075768815.db2.gz KEQCOUTYRQYAEM-INIZCTEOSA-N 0 3 401.540 1.617 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(N3CCCCC3)c2)CC1 ZINC000142581110 1075783153 /nfs/dbraw/zinc/78/31/53/1075783153.db2.gz NHTVWZMYIRHFMY-GOSISDBHSA-N 0 3 401.555 1.758 20 0 HDADHN O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)[C@H]1CN2CCN1CCC2 ZINC000486824598 1075790323 /nfs/dbraw/zinc/79/03/23/1075790323.db2.gz GWCRBLSAKPLDCT-JKSUJKDBSA-N 0 3 412.412 1.197 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2nnc(-c3ccccc3)s2)CC1 ZINC000479953880 1075790364 /nfs/dbraw/zinc/79/03/64/1075790364.db2.gz DYRVVZPUJDXKHZ-HNNXBMFYSA-N 0 3 400.508 1.975 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)C(=O)Nc3ccccc3)cc2)CC1 ZINC000732594342 1075791620 /nfs/dbraw/zinc/79/16/20/1075791620.db2.gz WGVFHNWWOGEJJZ-KRWDZBQOSA-N 0 3 423.517 1.910 20 0 HDADHN CC(C)[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1nncn1C ZINC000509274683 1075792994 /nfs/dbraw/zinc/79/29/94/1075792994.db2.gz RUYTXIZNZUJXEW-OTWHNJEPSA-N 0 3 400.527 1.694 20 0 HDADHN CCc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1CC ZINC000487783598 1075804041 /nfs/dbraw/zinc/80/40/41/1075804041.db2.gz LFZXKGFVMZCACE-LJQANCHMSA-N 0 3 400.523 1.515 20 0 HDADHN C[C@@H]1CN(C[C@@H](O)CN(CCO)Cc2cccc(Br)c2)C[C@@H](C)O1 ZINC000488195576 1075806503 /nfs/dbraw/zinc/80/65/03/1075806503.db2.gz FPFLMTHFBIHHRQ-RKVPGOIHSA-N 0 3 401.345 1.714 20 0 HDADHN COC(=O)c1ccccc1CS(=O)(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000611025980 1075813199 /nfs/dbraw/zinc/81/31/99/1075813199.db2.gz YMLQBVTVLKHFJO-GOSISDBHSA-N 0 3 409.552 1.403 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000732703801 1075837967 /nfs/dbraw/zinc/83/79/67/1075837967.db2.gz LAQMNAFFMKXLOD-XUVXKRRUSA-N 0 3 422.957 1.564 20 0 HDADHN CCOC(=O)Cn1cccc(NC(=O)NCC2(N3CCSCC3)CCCC2)c1=O ZINC000611097220 1075842002 /nfs/dbraw/zinc/84/20/02/1075842002.db2.gz OLFJPOQIQBUJTD-UHFFFAOYSA-N 0 3 422.551 1.895 20 0 HDADHN COC(=O)c1cc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc(C(=O)OC)c1 ZINC000611115231 1075844830 /nfs/dbraw/zinc/84/48/30/1075844830.db2.gz ZTBPEWIASGKXNF-QGZVFWFLSA-N 0 3 405.451 1.635 20 0 HDADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)Nc3cc(C4(C)CCCC4)on3)C2)CC1 ZINC000555833935 1075847623 /nfs/dbraw/zinc/84/76/23/1075847623.db2.gz DEQXKGMFINNQDB-KRWDZBQOSA-N 0 3 417.554 2.072 20 0 HDADHN COC(=O)c1ccc(S(=O)(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)c(C)c1 ZINC000611167719 1075865973 /nfs/dbraw/zinc/86/59/73/1075865973.db2.gz HIJQCKXGTZYEQJ-UHFFFAOYSA-N 0 3 423.579 1.961 20 0 HDADHN COC(=O)c1cc(S(=O)(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)cs1 ZINC000611167767 1075866284 /nfs/dbraw/zinc/86/62/84/1075866284.db2.gz UCNBCLJDKITTMW-UHFFFAOYSA-N 0 3 415.581 1.714 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](O)c3ccccc3C)cc2)CC1 ZINC000732896397 1075897474 /nfs/dbraw/zinc/89/74/74/1075897474.db2.gz MOLIBRFVKIHBJZ-OAQYLSRUSA-N 0 3 410.518 1.925 20 0 HDADHN CS[C@H]1CN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)C[C@@H]1N(C)C ZINC000611331349 1075909132 /nfs/dbraw/zinc/90/91/32/1075909132.db2.gz IASZNLIQSWHCDN-IUCAKERBSA-N 0 3 416.416 1.949 20 0 HDADHN COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)ccc1Br ZINC000611380835 1075922184 /nfs/dbraw/zinc/92/21/84/1075922184.db2.gz GAVKROAUFGUKGQ-CYBMUJFWSA-N 0 3 424.295 1.775 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2scc(C(=O)OC)c2C)CC1 ZINC000611456669 1075938930 /nfs/dbraw/zinc/93/89/30/1075938930.db2.gz LFCDWUVNDQNCBS-ZDUSSCGKSA-N 0 3 410.540 1.171 20 0 HDADHN Cc1cc(NC(=O)C(=O)NCCN2CCC(C)CC2)ccc1N1C(=O)CCC1=O ZINC000733046523 1075952506 /nfs/dbraw/zinc/95/25/06/1075952506.db2.gz WSCMXGOIAILZGN-UHFFFAOYSA-N 0 3 400.479 1.435 20 0 HDADHN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)ccc1N1C(=O)CCC1=O ZINC000733046198 1075953120 /nfs/dbraw/zinc/95/31/20/1075953120.db2.gz KGXQAQCHPJNMMT-OAHLLOKOSA-N 0 3 400.479 1.578 20 0 HDADHN Cc1csc([C@](O)(CC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)C(F)(F)F)n1 ZINC000733155299 1075989250 /nfs/dbraw/zinc/98/92/50/1075989250.db2.gz AKUJHCIKWILTID-RHSMWYFYSA-N 0 3 422.517 1.980 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000733159309 1075993155 /nfs/dbraw/zinc/99/31/55/1075993155.db2.gz OHXAFWXUOMHWOF-OSEFQUDUSA-N 0 3 421.545 1.995 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000733170040 1076000630 /nfs/dbraw/zinc/00/06/30/1076000630.db2.gz JAMFAPAZUOOMJK-CQSZACIVSA-N 0 3 421.485 1.984 20 0 HDADHN C[C@H]1C[C@H](c2ccccc2)N(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000513261358 1076004845 /nfs/dbraw/zinc/00/48/45/1076004845.db2.gz MZDXGVQHDMUHMS-PZJWPPBQSA-N 0 3 414.550 1.073 20 0 HDADHN Cc1ccccc1[C@H](NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C(C)C ZINC000514397232 1076022400 /nfs/dbraw/zinc/02/24/00/1076022400.db2.gz DXDFIBSRHLFXOM-HSZRJFAPSA-N 0 3 416.566 1.285 20 0 HDADHN CC1CCN([C@@H](CNC(=S)NCCNS(C)(=O)=O)c2cccs2)CC1 ZINC000727066177 1076037456 /nfs/dbraw/zinc/03/74/56/1076037456.db2.gz HXFOZFDAYDSNEP-AWEZNQCLSA-N 0 3 404.627 1.534 20 0 HDADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cc([C@H]3CCCO3)nn2C)C1 ZINC000684015127 1076063232 /nfs/dbraw/zinc/06/32/32/1076063232.db2.gz ZSMMAMJIDGZFQD-PKOBYXMFSA-N 0 3 411.506 1.943 20 0 HDADHN O=C(OCCCN1C(=O)CNC1=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000733459961 1076074254 /nfs/dbraw/zinc/07/42/54/1076074254.db2.gz AMHKKPYUJTUGOM-LLVKDONJSA-N 0 3 414.245 1.831 20 0 HDADHN C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)cc2)C[C@H](C)O1 ZINC000727231688 1076086029 /nfs/dbraw/zinc/08/60/29/1076086029.db2.gz SEZXGGMUXJXWAM-FUHIMQAGSA-N 0 3 400.523 1.935 20 0 HDADHN C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CC[C@H](N4CCCC4)C3)cc2)C[C@H](C)O1 ZINC000727231691 1076086047 /nfs/dbraw/zinc/08/60/47/1076086047.db2.gz SEZXGGMUXJXWAM-QKLQHJQFSA-N 0 3 400.523 1.935 20 0 HDADHN Cc1cc(NC[C@@H](O)COc2ccc(I)cc2)nc(N)n1 ZINC000727432363 1076128252 /nfs/dbraw/zinc/12/82/52/1076128252.db2.gz JNXVINJBJJLCMX-LLVKDONJSA-N 0 3 400.220 1.824 20 0 HDADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000733650371 1076141299 /nfs/dbraw/zinc/14/12/99/1076141299.db2.gz ZGOGSEAQCMARMX-MJGOQNOKSA-N 0 3 402.495 1.766 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000727702928 1076210300 /nfs/dbraw/zinc/21/03/00/1076210300.db2.gz GJDQEKXNWSDCSS-OAHLLOKOSA-N 0 3 400.570 1.334 20 0 HDADHN C[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)CN1CCN(C)CC1 ZINC000733882523 1076237942 /nfs/dbraw/zinc/23/79/42/1076237942.db2.gz QTFUQQFQDMEOMW-AWEZNQCLSA-N 0 3 416.975 1.204 20 0 HDADHN CC(C)N1CCCN(C(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 ZINC000727805982 1076259317 /nfs/dbraw/zinc/25/93/17/1076259317.db2.gz HIUSJOXIAUHWSC-OJLWIZQOSA-N 0 3 412.534 1.732 20 0 HDADHN O=C(CN1CCC(CN2CCOCC2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000727833122 1076264606 /nfs/dbraw/zinc/26/46/06/1076264606.db2.gz NLQKKPZQFUTMKO-UHFFFAOYSA-N 0 3 400.523 1.562 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O)N1CCCCC1 ZINC000727947468 1076293393 /nfs/dbraw/zinc/29/33/93/1076293393.db2.gz MJHZJXMJWDBIGA-CQSZACIVSA-N 0 3 412.490 1.622 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H](O)C3CCCCC3)cc2)CC1 ZINC000727949688 1076294343 /nfs/dbraw/zinc/29/43/43/1076294343.db2.gz WKKBLNWMOMFFTM-FQEVSTJZSA-N 0 3 402.539 1.824 20 0 HDADHN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000728024014 1076309083 /nfs/dbraw/zinc/30/90/83/1076309083.db2.gz MHHXTIPWZSDYBX-GFGNLIMNSA-N 0 3 411.568 1.636 20 0 HDADHN O=C(CN1CCC[C@@H](C2OCCO2)C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000728053420 1076320665 /nfs/dbraw/zinc/32/06/65/1076320665.db2.gz JWMFOTYEOZUVMX-GOSISDBHSA-N 0 3 401.507 1.492 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN3CCC[C@H](C4OCCO4)C3)cc2)CC1 ZINC000728055585 1076322545 /nfs/dbraw/zinc/32/25/45/1076322545.db2.gz VVUZSNGZKZFRGZ-SFHVURJKSA-N 0 3 402.539 1.852 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000728072241 1076332971 /nfs/dbraw/zinc/33/29/71/1076332971.db2.gz AUMMJCVPZNNXEW-NRFANRHFSA-N 0 3 409.530 1.981 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCC(=O)NC(C)(C)C)cc2)CC1 ZINC000728144784 1076343956 /nfs/dbraw/zinc/34/39/56/1076343956.db2.gz JCVWBXMJNYXDIK-UHFFFAOYSA-N 0 3 403.527 1.188 20 0 HDADHN CNS(=O)(=O)Cc1ccc(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000027357428 1076359130 /nfs/dbraw/zinc/35/91/30/1076359130.db2.gz YHCJSOYXWGUENH-IBGZPJMESA-N 0 3 404.536 1.838 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000730127291 1076459061 /nfs/dbraw/zinc/45/90/61/1076459061.db2.gz NRGFDCGEKPONPL-CVEARBPZSA-N 0 3 411.547 1.238 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc(CN3CCCCC3=O)cc2)CC1 ZINC000730219043 1076479969 /nfs/dbraw/zinc/47/99/69/1076479969.db2.gz UOIGZENVNYHDIT-FQEVSTJZSA-N 0 3 412.534 1.753 20 0 HDADHN CC(C)(C)OC(=O)N[C@H]1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000730263892 1076504176 /nfs/dbraw/zinc/50/41/76/1076504176.db2.gz KBSNDUGUKBDRDS-INIZCTEOSA-N 0 3 404.515 1.114 20 0 HDADHN CC(C)[C@H](C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)N(C)C ZINC000730279682 1076520849 /nfs/dbraw/zinc/52/08/49/1076520849.db2.gz QGQLTQWDQUNLOO-ZWKOTPCHSA-N 0 3 424.586 1.891 20 0 HDADHN CCN1CCN(CCCNC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)CC1 ZINC000730384964 1076565781 /nfs/dbraw/zinc/56/57/81/1076565781.db2.gz JSSREAMVHSRYPP-UHFFFAOYSA-N 0 3 402.474 1.094 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC3CCC(C(=O)OC)CC3)cc2)CC1 ZINC000730388975 1076568667 /nfs/dbraw/zinc/56/86/67/1076568667.db2.gz DCRXGLWLWHYJPS-UHFFFAOYSA-N 0 3 416.522 1.615 20 0 HDADHN COC1CCN(C(C)(C)CNC(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)CC1 ZINC000730789210 1076658811 /nfs/dbraw/zinc/65/88/11/1076658811.db2.gz IKWCXDAASMJFML-UHFFFAOYSA-N 0 3 413.540 1.488 20 0 HDADHN CCNS(=O)(=O)c1ccc(F)c(C(=O)NCC(C)(C)N2CCC(OC)CC2)c1 ZINC000730791093 1076659994 /nfs/dbraw/zinc/65/99/94/1076659994.db2.gz PIWIPBJXCZDZQK-UHFFFAOYSA-N 0 3 415.531 1.743 20 0 HDADHN CN(CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C[C@@H]1CCCOC1 ZINC000730808617 1076665038 /nfs/dbraw/zinc/66/50/38/1076665038.db2.gz PHZQRGMNFAQXJC-ULXKQSRTSA-N 0 3 421.563 1.490 20 0 HDADHN NS(=O)(=O)c1cc(C(=O)N2CC[C@H](N3CCCCC3)C2)ccc1Br ZINC000730843787 1076671967 /nfs/dbraw/zinc/67/19/67/1076671967.db2.gz MIRSEOFPZFWXIK-ZDUSSCGKSA-N 0 3 416.341 1.797 20 0 HDADHN O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000730920064 1076693834 /nfs/dbraw/zinc/69/38/34/1076693834.db2.gz MIFUJYWHZKHFPT-HXUWFJFHSA-N 0 3 408.502 1.922 20 0 HDADHN COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NC[C@@H]2CCCN(C)C2)c1 ZINC000731039055 1076716941 /nfs/dbraw/zinc/71/69/41/1076716941.db2.gz PPADCFMAQMWDDO-KIUWMYQTSA-N 0 3 412.508 1.510 20 0 HDADHN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NC[C@@H](C)N2CCN(CC)CC2)C1 ZINC000731232714 1076761255 /nfs/dbraw/zinc/76/12/55/1076761255.db2.gz HFUGKQOMQWFELC-XLIONFOSSA-N 0 3 415.538 1.327 20 0 HDADHN Cn1cc(CN[C@H](CO)Cc2ccccc2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC001178510274 1126151131 /nfs/dbraw/zinc/15/11/31/1126151131.db2.gz WKXHNHWOYOTHGY-SFHVURJKSA-N 0 3 404.470 1.910 20 0 HDADHN CNC(=O)CN1CCOC[C@]2(CCCN(c3cc(Cl)nc4c3CCNC4)C2)C1 ZINC001164720683 720276957 /nfs/dbraw/zinc/27/69/57/720276957.db2.gz CETAEKRKMKPMAO-HXUWFJFHSA-N 0 3 407.946 1.046 20 0 HDADHN O=C(NC[C@@H]1OC[C@@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@@H]21)c1ccno1 ZINC001164855618 720911907 /nfs/dbraw/zinc/91/19/07/720911907.db2.gz IXOAWYWJRBEBRS-BJLQDIEVSA-N 0 3 411.506 1.937 20 0 HDADHN COC(=O)c1nc2cnccc2c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164773931 721152904 /nfs/dbraw/zinc/15/29/04/721152904.db2.gz ZIDWQZQZYPCESR-HOTGVXAUSA-N 0 3 407.478 1.503 20 0 HDADHN COCCOC(=O)c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164869775 721181152 /nfs/dbraw/zinc/18/11/52/721181152.db2.gz BINPRFFOTGMMLS-UXHICEINSA-N 0 3 412.490 1.760 20 0 HDADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(S(=O)(=O)NC5CC5)cn4)C[C@H]3C2)cn1 ZINC001164767547 721203983 /nfs/dbraw/zinc/20/39/83/721203983.db2.gz JZLULYFLXSZXRS-DLBZAZTESA-N 0 3 416.551 1.214 20 0 HDADHN CNC(=O)[C@@]12CN(c3ccc(CN4CCCC4)cn3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164866488 721206551 /nfs/dbraw/zinc/20/65/51/721206551.db2.gz BJMYAYIOAJLGFM-CVDCTZTESA-N 0 3 421.549 1.689 20 0 HDADHN O=C(COC[C@]12COC[C@H]1CN(c1ncccc1CN1CCCC1)C2)N1CCCC1 ZINC001164886368 721338894 /nfs/dbraw/zinc/33/88/94/721338894.db2.gz RRBXGOZANVRZAJ-OFNKIYASSA-N 0 3 414.550 1.769 20 0 HDADHN CC(C)c1nc(N(C)C)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164888292 721420537 /nfs/dbraw/zinc/42/05/37/721420537.db2.gz NYVVZDODTONKHZ-AVRDEDQJSA-N 0 3 417.602 1.826 20 0 HDADHN Cn1cc(C(=O)N[C@@H]2CN(c3ccc(CN4CCCC4)cn3)[C@H]3CCCO[C@@H]23)cn1 ZINC001165014352 721757681 /nfs/dbraw/zinc/75/76/81/721757681.db2.gz YVAGAXDIJABWRO-DYXWJJEUSA-N 0 3 410.522 1.577 20 0 HDADHN O=C1COc2ccnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2N1 ZINC001164963156 722056195 /nfs/dbraw/zinc/05/61/95/722056195.db2.gz HSOJCBMAKQDBFY-UHFFFAOYSA-N 0 3 409.490 1.927 20 0 HDADHN CN1CCN(c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1 ZINC001164978364 722102099 /nfs/dbraw/zinc/10/20/99/722102099.db2.gz GTATXHBIQMTXIR-NHCUHLMSSA-N 0 3 423.565 1.351 20 0 HDADHN NC(=O)c1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164980832 722103358 /nfs/dbraw/zinc/10/33/58/722103358.db2.gz KOJJHSXZYBTEBN-WBVHZDCISA-N 0 3 401.898 1.956 20 0 HDADHN CN(C)Cc1ccnc(N2CCC[C@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)c1 ZINC001165000780 722218995 /nfs/dbraw/zinc/21/89/95/722218995.db2.gz YRFICRKISLQOAI-QFIPXVFZSA-N 0 3 408.506 1.970 20 0 HDADHN CN1CCN(c2ncnc3c2CCN(c2cccc(N4CCOCC4)n2)CC3)CC1 ZINC001164997761 722235995 /nfs/dbraw/zinc/23/59/95/722235995.db2.gz VTSIUXDCWHBAMY-UHFFFAOYSA-N 0 3 409.538 1.065 20 0 HDADHN COC(=O)C[C@@H]1CN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000429046401 1073462449 /nfs/dbraw/zinc/46/24/49/1073462449.db2.gz NJCJXIBVQAOVHM-MOPGFXCFSA-N 0 3 405.495 1.251 20 0 HDADHN COC(=O)Cn1cc(CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)nn1 ZINC000429077957 1073518466 /nfs/dbraw/zinc/51/84/66/1073518466.db2.gz WODBKBNMMBQILA-INIZCTEOSA-N 0 3 420.539 1.785 20 0 HDADHN C[C@H](NCCOC[C@@H]1CCCO1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766015924 1073599456 /nfs/dbraw/zinc/59/94/56/1073599456.db2.gz WIYILTMYRNQEIM-YOEHRIQHSA-N 0 3 420.553 1.258 20 0 HDADHN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000673665117 1073618796 /nfs/dbraw/zinc/61/87/96/1073618796.db2.gz CFGXUMRYBMBPTG-VQTJNVASSA-N 0 3 406.571 1.426 20 0 HDADHN NS(=O)(=O)c1ccc(F)c(CNC(=O)CCN2CCN(c3ccccc3)CC2)c1 ZINC000673672990 1073628065 /nfs/dbraw/zinc/62/80/65/1073628065.db2.gz OMYMARXODXYIHO-UHFFFAOYSA-N 0 3 420.510 1.302 20 0 HDADHN C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000673713585 1073652651 /nfs/dbraw/zinc/65/26/51/1073652651.db2.gz DZQPQDDOUPSJIP-VQIMIIECSA-N 0 3 416.547 1.867 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)COCC(=O)NCc1cccnc1 ZINC000673749060 1073672578 /nfs/dbraw/zinc/67/25/78/1073672578.db2.gz DBENWQFRGHJEAY-IBGZPJMESA-N 0 3 410.518 1.837 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000673773673 1073705818 /nfs/dbraw/zinc/70/58/18/1073705818.db2.gz UTBYHLUGHMIVNU-SFHVURJKSA-N 0 3 422.595 1.964 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCCN1CCCS1(=O)=O ZINC000673773960 1073708567 /nfs/dbraw/zinc/70/85/67/1073708567.db2.gz YVWUEWZGAUPKJD-SFHVURJKSA-N 0 3 408.568 1.718 20 0 HDADHN CC[C@@H](NCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)[C@@H]1CCCO1 ZINC000543494954 1073831147 /nfs/dbraw/zinc/83/11/47/1073831147.db2.gz SLSLPNURWLYUSB-MJGOQNOKSA-N 0 3 409.552 1.763 20 0 HDADHN O=C(NCc1nnnn1-c1ccccc1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000673879193 1073851642 /nfs/dbraw/zinc/85/16/42/1073851642.db2.gz WQSOQRSHVMLFKS-ICSRJNTNSA-N 0 3 421.505 1.345 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000509176823 1073929813 /nfs/dbraw/zinc/92/98/13/1073929813.db2.gz CPPOGCTWRJSZDJ-LBPRGKRZSA-N 0 3 409.405 1.170 20 0 HDADHN Cn1cc(N2CCN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC2=O)cn1 ZINC000429179605 1073960731 /nfs/dbraw/zinc/96/07/31/1073960731.db2.gz FZEYFBSBFGVEHE-INIZCTEOSA-N 0 3 402.524 1.677 20 0 HDADHN CN1CCN([C@H](C(=O)N2CCC[C@H](N3CCOCC3)CC2)c2ccccc2)CC1 ZINC000670443958 1073990255 /nfs/dbraw/zinc/99/02/55/1073990255.db2.gz YJCJXTPOICXKBO-VXKWHMMOSA-N 0 3 400.567 1.688 20 0 HDADHN Cc1nn(Cc2ccccc2)c(N)c1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000509188414 1074002911 /nfs/dbraw/zinc/00/29/11/1074002911.db2.gz ZUQDOVPPTQHMJD-SFHVURJKSA-N 0 3 412.538 1.495 20 0 HDADHN CNC(=O)N[C@H]1CCN(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000466594053 1074049216 /nfs/dbraw/zinc/04/92/16/1074049216.db2.gz WPNLUMKVDHYFCM-OALUTQOASA-N 0 3 402.543 1.078 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cccnc2N2CCCCC2)CC1 ZINC000509214847 1074149696 /nfs/dbraw/zinc/14/96/96/1074149696.db2.gz AWJGFZWHMHOPKB-SFHVURJKSA-N 0 3 416.570 1.400 20 0 HDADHN O=C(Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000674056642 1074157905 /nfs/dbraw/zinc/15/79/05/1074157905.db2.gz NRBWHGFOBZDISP-HOTGVXAUSA-N 0 3 405.524 1.598 20 0 HDADHN CC(C)N(CCCNC(=O)CN1CC[C@H](N(C)Cc2ccccc2)C1)S(C)(=O)=O ZINC000674251748 1074243364 /nfs/dbraw/zinc/24/33/64/1074243364.db2.gz PKDCJULAYXEZLP-FQEVSTJZSA-N 0 3 424.611 1.369 20 0 HDADHN COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCCN2CCC(OC)CC2)CC1=O ZINC000674310313 1074268987 /nfs/dbraw/zinc/26/89/87/1074268987.db2.gz AFMBWJPVGCKGMR-AWEZNQCLSA-N 0 3 409.914 1.929 20 0 HDADHN COC1CCN(CCNC(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC1 ZINC000674317736 1074269055 /nfs/dbraw/zinc/26/90/55/1074269055.db2.gz NSCNZMGNGBFDAE-UHFFFAOYSA-N 0 3 420.510 1.157 20 0 HDADHN COC1CCN(CCNC(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)CC1 ZINC000674310262 1074269102 /nfs/dbraw/zinc/26/91/02/1074269102.db2.gz ZOESOFHMHXOHPF-UHFFFAOYSA-N 0 3 422.469 1.792 20 0 HDADHN COC1CCN(CCNC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 ZINC000674323350 1074273677 /nfs/dbraw/zinc/27/36/77/1074273677.db2.gz BGCWIBCGFCMNGQ-QRVBRYPASA-N 0 3 405.539 1.579 20 0 HDADHN COC1CCN(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000674325018 1074273761 /nfs/dbraw/zinc/27/37/61/1074273761.db2.gz VNIOXLTZGKTWQC-KRWDZBQOSA-N 0 3 409.552 1.314 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000674325019 1074273860 /nfs/dbraw/zinc/27/38/60/1074273860.db2.gz VNIOXLTZGKTWQC-QGZVFWFLSA-N 0 3 409.552 1.314 20 0 HDADHN COC1CCN(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 ZINC000674324430 1074274715 /nfs/dbraw/zinc/27/47/15/1074274715.db2.gz OGQJOFYTGKNKIX-NRFANRHFSA-N 0 3 410.518 1.650 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 ZINC000674324435 1074274960 /nfs/dbraw/zinc/27/49/60/1074274960.db2.gz OGQJOFYTGKNKIX-OAQYLSRUSA-N 0 3 410.518 1.650 20 0 HDADHN COC1CCN(CCNC(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)CC1 ZINC000674327584 1074277410 /nfs/dbraw/zinc/27/74/10/1074277410.db2.gz WKLXVARXKRCGIE-OAQYLSRUSA-N 0 3 404.555 1.778 20 0 HDADHN COC1CCN(CCNC(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC000674328811 1074277860 /nfs/dbraw/zinc/27/78/60/1074277860.db2.gz ZVWALPSQPPQBAN-FQEVSTJZSA-N 0 3 418.538 1.505 20 0 HDADHN COC1CCN(CCNC(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)CC1 ZINC000674318282 1074280508 /nfs/dbraw/zinc/28/05/08/1074280508.db2.gz YRHYADHXSVSKOS-UHFFFAOYSA-N 0 3 414.503 1.598 20 0 HDADHN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000674335837 1074283486 /nfs/dbraw/zinc/28/34/86/1074283486.db2.gz YOZBSDOAAUXYLS-MGPUTAFESA-N 0 3 417.531 1.975 20 0 HDADHN COC1CCN(CCNC(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)CC1 ZINC000674330890 1074285885 /nfs/dbraw/zinc/28/58/85/1074285885.db2.gz AODQXPYXRROCES-HXUWFJFHSA-N 0 3 402.539 1.630 20 0 HDADHN COC1CCN(CCNC(=O)NCC2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000674329460 1074285913 /nfs/dbraw/zinc/28/59/13/1074285913.db2.gz BKYMKTMWYYCDHL-UHFFFAOYSA-N 0 3 402.539 1.949 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1=O ZINC000674427694 1074331128 /nfs/dbraw/zinc/33/11/28/1074331128.db2.gz QWZZPYVPVOOCMM-SVMVAKDDSA-N 0 3 413.522 1.671 20 0 HDADHN CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1=O ZINC000674437912 1074335726 /nfs/dbraw/zinc/33/57/26/1074335726.db2.gz FKPMTGJBOVXVLR-PGRDOPGGSA-N 0 3 413.522 1.624 20 0 HDADHN CC[C@@H](CNS(C)(=O)=O)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001273134446 1074418984 /nfs/dbraw/zinc/41/89/84/1074418984.db2.gz RGKULZKDZZULCN-DOTOQJQBSA-N 0 3 421.485 1.885 20 0 HDADHN CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1=O ZINC000674641265 1074500585 /nfs/dbraw/zinc/50/05/85/1074500585.db2.gz GYKJZMGNLSOYIX-QVKFZJNVSA-N 0 3 417.510 1.606 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1=O ZINC000674641264 1074500748 /nfs/dbraw/zinc/50/07/48/1074500748.db2.gz GYKJZMGNLSOYIX-BTYIYWSLSA-N 0 3 417.510 1.606 20 0 HDADHN Cc1cc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)ccc1S(N)(=O)=O ZINC000674756411 1074549058 /nfs/dbraw/zinc/54/90/58/1074549058.db2.gz AFKLXQFSQBMNDZ-UHFFFAOYSA-N 0 3 403.504 1.851 20 0 HDADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000674764247 1074558153 /nfs/dbraw/zinc/55/81/53/1074558153.db2.gz SPJREUNKHOMPAL-SFHVURJKSA-N 0 3 405.462 1.334 20 0 HDADHN CN1CCN(Cc2ccc(CNC(=O)N3CCO[C@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000674917483 1074614121 /nfs/dbraw/zinc/61/41/21/1074614121.db2.gz KTKPFSOCSRRZBC-RTWAWAEBSA-N 0 3 402.539 1.523 20 0 HDADHN Cc1c(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cccc1N1CCOC1=O ZINC000766086361 1074659081 /nfs/dbraw/zinc/65/90/81/1074659081.db2.gz JWWQGOVJQGVFKF-SFHVURJKSA-N 0 3 415.494 1.722 20 0 HDADHN CCN(CC)[C@H](CNC(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)c1ccsc1 ZINC000675087885 1074702679 /nfs/dbraw/zinc/70/26/79/1074702679.db2.gz MSPLNDLZXNSJIZ-HZPDHXFCSA-N 0 3 407.540 1.809 20 0 HDADHN Cc1c(C(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)nnn1-c1cccc2c1CCN(C)C2 ZINC000675134251 1074727804 /nfs/dbraw/zinc/72/78/04/1074727804.db2.gz DYTXDFINRSKKDB-QZTJIDSGSA-N 0 3 410.522 1.728 20 0 HDADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CC[C@@H](CO)CC3)cc2)CC1 ZINC000675127543 1074733740 /nfs/dbraw/zinc/73/37/40/1074733740.db2.gz WACFWPZWYBBDMX-PUZFROQSSA-N 0 3 402.539 1.430 20 0 HDADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000675128067 1074734147 /nfs/dbraw/zinc/73/41/47/1074734147.db2.gz WFHXFCJKASYKBV-IZAXUBKRSA-N 0 3 405.564 1.884 20 0 HDADHN C[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000766096817 1074754031 /nfs/dbraw/zinc/75/40/31/1074754031.db2.gz IFSJRTVCNLDYDM-QLFBSQMISA-N 0 3 414.959 1.735 20 0 HDADHN C[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000766096817 1074754038 /nfs/dbraw/zinc/75/40/38/1074754038.db2.gz IFSJRTVCNLDYDM-QLFBSQMISA-N 0 3 414.959 1.735 20 0 HDADHN Cc1cc(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)nn1C ZINC000555294259 1074772661 /nfs/dbraw/zinc/77/26/61/1074772661.db2.gz TVAIDMNKZZRELC-LEWJYISDSA-N 0 3 417.513 2.451 20 0 HDADHN CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC3(CC2)OCc2ccccc23)C1 ZINC000675325848 1074807017 /nfs/dbraw/zinc/80/70/17/1074807017.db2.gz SHYVUNXCKHVXGS-FQEVSTJZSA-N 0 3 401.551 1.981 20 0 HDADHN CN1CCN(CCNC(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000670513308 1075116430 /nfs/dbraw/zinc/11/64/30/1075116430.db2.gz NGGNZUGWIMBOIR-UHFFFAOYSA-N 0 3 414.472 1.506 20 0 HDADHN CCCn1ccnc1CCCN(C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000429249635 1075118442 /nfs/dbraw/zinc/11/84/42/1075118442.db2.gz SQIFOQHJGPENAF-HNNXBMFYSA-N 0 3 407.540 1.832 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)CC1 ZINC000675396747 1075125965 /nfs/dbraw/zinc/12/59/65/1075125965.db2.gz KZBDZKZOVDZVMR-MSOLQXFVSA-N 0 3 412.538 1.573 20 0 HDADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cc(N2CCNC(=O)C2)ccn1 ZINC000429341952 1075130163 /nfs/dbraw/zinc/13/01/63/1075130163.db2.gz UDNIRHQUYGODQC-FQEVSTJZSA-N 0 3 423.517 1.039 20 0 HDADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1nn([C@H](C)c2ccccc2)cc1C ZINC000472432184 1075166282 /nfs/dbraw/zinc/16/62/82/1075166282.db2.gz XEEHVHBVFLODHQ-QGZVFWFLSA-N 0 3 401.511 1.776 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccnc2)c2ccccc2O1 ZINC000675511677 1075191146 /nfs/dbraw/zinc/19/11/46/1075191146.db2.gz REVGENJXVCGTJL-OAHLLOKOSA-N 0 3 404.492 1.106 20 0 HDADHN Cc1c(C(=O)NC2CCN([C@H]3CCOC3)CC2)nnn1-c1ccc2c(c1)OCCO2 ZINC000675536800 1075194115 /nfs/dbraw/zinc/19/41/15/1075194115.db2.gz IZRQZRFYJFUBRW-KRWDZBQOSA-N 0 3 413.478 1.330 20 0 HDADHN Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000675536774 1075194590 /nfs/dbraw/zinc/19/45/90/1075194590.db2.gz HPUSDRRYZDKIMB-KRWDZBQOSA-N 0 3 424.567 1.183 20 0 HDADHN CCN(CC)S(=O)(=O)c1cccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000675538496 1075195584 /nfs/dbraw/zinc/19/55/84/1075195584.db2.gz HQCQLPRPVKMLSV-SFHVURJKSA-N 0 3 409.552 1.700 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000675538988 1075195882 /nfs/dbraw/zinc/19/58/82/1075195882.db2.gz QDGBNHWEKSGVTE-QUCCMNQESA-N 0 3 421.563 1.599 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000675538983 1075195976 /nfs/dbraw/zinc/19/59/76/1075195976.db2.gz QDGBNHWEKSGVTE-AZUAARDMSA-N 0 3 421.563 1.599 20 0 HDADHN CCCCS(=O)(=O)N1CCC(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000675540596 1075197310 /nfs/dbraw/zinc/19/73/10/1075197310.db2.gz CFBWCRCZEPRYRH-GOSISDBHSA-N 0 3 401.573 1.198 20 0 HDADHN Cc1c(C(=O)N[C@@H](C)CCS(C)(=O)=O)nnn1-c1cccc2c1CCN(C)C2 ZINC000675572962 1075208877 /nfs/dbraw/zinc/20/88/77/1075208877.db2.gz FCGDAQFOHBKYTM-ZDUSSCGKSA-N 0 3 405.524 1.117 20 0 HDADHN CN(C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000675576857 1075210373 /nfs/dbraw/zinc/21/03/73/1075210373.db2.gz TUFVSCLZOFCBMS-SPEDKVCISA-N 0 3 413.522 1.623 20 0 HDADHN CCN1C(=O)N=NC1C1CCN(CCOc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000675583856 1075213462 /nfs/dbraw/zinc/21/34/62/1075213462.db2.gz UGDFGWROTRGJTQ-UHFFFAOYSA-N 0 3 423.539 1.512 20 0 HDADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000490443542 1075228913 /nfs/dbraw/zinc/22/89/13/1075228913.db2.gz KAUXYUYTAFRIMQ-GFCCVEGCSA-N 0 3 410.400 1.825 20 0 HDADHN O=C(Nc1ncn(C2CCCCC2)n1)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000463965600 1075231044 /nfs/dbraw/zinc/23/10/44/1075231044.db2.gz RJSOKQYWGWSMJB-SFHVURJKSA-N 0 3 412.494 1.927 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)Nc3ccc(C(=O)OC)nn3)cc2)CC1 ZINC000619633029 1075232404 /nfs/dbraw/zinc/23/24/04/1075232404.db2.gz ZFQSKORQNQVSEU-UHFFFAOYSA-N 0 3 412.494 1.722 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1 ZINC000490382980 1075233292 /nfs/dbraw/zinc/23/32/92/1075233292.db2.gz XLFJAXMBPVGVJR-HNNXBMFYSA-N 0 3 418.929 1.606 20 0 HDADHN O=C(NCc1ccccc1CN1CCC(O)CC1)C(=O)Nc1cnn(CC2CC2)c1 ZINC000675597513 1075234424 /nfs/dbraw/zinc/23/44/24/1075234424.db2.gz LOQMYGONENDWRT-UHFFFAOYSA-N 0 3 411.506 1.505 20 0 HDADHN CS(=O)(=O)c1cccc(CNC[C@H]2CCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC001034996855 1075252565 /nfs/dbraw/zinc/25/25/65/1075252565.db2.gz MGZYZIWYTRQUKQ-AZQPHWPRSA-N 0 3 404.532 1.594 20 0 HDADHN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000675699207 1075260071 /nfs/dbraw/zinc/26/00/71/1075260071.db2.gz RKUPZHHAQRBPAZ-WMLDXEAASA-N 0 3 422.551 1.302 20 0 HDADHN COCCNS(=O)(=O)c1ccc(CN[C@@H](C)c2cccc(-n3cnnn3)c2)cc1 ZINC000675784307 1075270999 /nfs/dbraw/zinc/27/09/99/1075270999.db2.gz XSJVVJIZLOHRPU-HNNXBMFYSA-N 0 3 416.507 1.438 20 0 HDADHN C[C@H](CNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)CN1CCN(C)CC1 ZINC000429381809 1075275812 /nfs/dbraw/zinc/27/58/12/1075275812.db2.gz BICJXCCFMJLYMO-QAPCUYQASA-N 0 3 407.946 1.628 20 0 HDADHN Cc1cc(C)c(NC(=O)CCCN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C)c1 ZINC000675965066 1075310814 /nfs/dbraw/zinc/31/08/14/1075310814.db2.gz LXIHDQCQLFNHJC-OALUTQOASA-N 0 3 423.579 1.418 20 0 HDADHN COc1ccc2c(c1)OCC[C@H]2NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000675996754 1075320205 /nfs/dbraw/zinc/32/02/05/1075320205.db2.gz VBBZWBAMXMGPHV-QZTJIDSGSA-N 0 3 402.495 1.467 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000731401003 1075330121 /nfs/dbraw/zinc/33/01/21/1075330121.db2.gz IUJLQAOWHSFRMX-KZNAEPCWSA-N 0 3 423.535 1.624 20 0 HDADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCCOc1cccnc1 ZINC000804076673 1075336301 /nfs/dbraw/zinc/33/63/01/1075336301.db2.gz JWAYOBMWHMWRFC-UHFFFAOYSA-N 0 3 406.433 1.445 20 0 HDADHN COC(=O)[C@@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)[C@H](C(=O)OC)C1 ZINC000509379220 1075340058 /nfs/dbraw/zinc/34/00/58/1075340058.db2.gz GZAYAALPMDLGOK-MJGOQNOKSA-N 0 3 417.506 1.152 20 0 HDADHN O=C(Nc1cnn(-c2ccncc2)c1)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000676092037 1075352827 /nfs/dbraw/zinc/35/28/27/1075352827.db2.gz TZGSLUOQGYLSFZ-UHFFFAOYSA-N 0 3 405.462 1.382 20 0 HDADHN CC[C@@H](NCC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)[C@H]1CCCO1 ZINC000544456714 1075354969 /nfs/dbraw/zinc/35/49/69/1075354969.db2.gz ORPPXEHANNXZHZ-HZPDHXFCSA-N 0 3 423.558 1.723 20 0 HDADHN Cc1c(C(=O)NCCNC(=O)OC(C)(C)C)nnn1-c1cccc2c1CCN(C)C2 ZINC000731473640 1075359995 /nfs/dbraw/zinc/35/99/95/1075359995.db2.gz YGMMCUIAJDAWRH-UHFFFAOYSA-N 0 3 414.510 1.818 20 0 HDADHN CCOC(=O)N1CCN(C(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)CC1 ZINC000731456888 1075364225 /nfs/dbraw/zinc/36/42/25/1075364225.db2.gz BAAUMYOLCMXYKS-UHFFFAOYSA-N 0 3 412.494 1.478 20 0 HDADHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000804089694 1075381366 /nfs/dbraw/zinc/38/13/66/1075381366.db2.gz XXRYFMJXOBKKDW-BRWVUGGUSA-N 0 3 408.543 1.635 20 0 HDADHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000804089696 1075381432 /nfs/dbraw/zinc/38/14/32/1075381432.db2.gz XXRYFMJXOBKKDW-ZACQAIPSSA-N 0 3 408.543 1.635 20 0 HDADHN COc1ccc(Br)c(CC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000676134185 1075393267 /nfs/dbraw/zinc/39/32/67/1075393267.db2.gz KJZXRFVVRWGACU-QGZVFWFLSA-N 0 3 424.339 1.941 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000509390779 1075437015 /nfs/dbraw/zinc/43/70/15/1075437015.db2.gz BIPKLBFAZCJUFL-INIZCTEOSA-N 0 3 406.527 1.960 20 0 HDADHN CC[C@@H](C)n1nc(NC(=O)C(=O)N2CCN(c3ccncc3OC)CC2)cc1C ZINC000485056416 1075440605 /nfs/dbraw/zinc/44/06/05/1075440605.db2.gz KRVXTXMAYBKFCM-CQSZACIVSA-N 0 3 400.483 1.853 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)CCC(=O)N2CCOc3ccccc32)CC1 ZINC000731687448 1075449360 /nfs/dbraw/zinc/44/93/60/1075449360.db2.gz OYHIXGOIAPMBBH-GOSISDBHSA-N 0 3 402.539 1.582 20 0 HDADHN CC(C)[C@H](CNC(=O)CCC(=O)N1CCOc2ccccc21)N1CCN(C)CC1 ZINC000731687876 1075451020 /nfs/dbraw/zinc/45/10/20/1075451020.db2.gz UHQMZOOZKKCHCR-IBGZPJMESA-N 0 3 402.539 1.580 20 0 HDADHN CN(C)C(=O)CN1CCC(NC(=O)Nc2ccccc2N2CCN(C)CC2)CC1 ZINC000731679594 1075461807 /nfs/dbraw/zinc/46/18/07/1075461807.db2.gz HQVLIOPCPBEBID-UHFFFAOYSA-N 0 3 402.543 1.113 20 0 HDADHN CN1CCN(c2cccc(C(=O)N3CCC(CCCN4CCOCC4)CC3)n2)CC1 ZINC000509396778 1075473887 /nfs/dbraw/zinc/47/38/87/1075473887.db2.gz MOMHJGBLXAVEEW-UHFFFAOYSA-N 0 3 415.582 1.798 20 0 HDADHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1c(Br)nnn1C ZINC000711781062 1075516202 /nfs/dbraw/zinc/51/62/02/1075516202.db2.gz WUMZSSLMUVUYOK-KRWDZBQOSA-N 0 3 408.300 1.287 20 0 HDADHN COc1ccc([C@@H]2[C@H](C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC(=O)N2C)cc1 ZINC000676344173 1075516746 /nfs/dbraw/zinc/51/67/46/1075516746.db2.gz IJSIJZMGMBWNMV-YFVAEKQCSA-N 0 3 401.507 1.584 20 0 HDADHN COc1nn(C)c2nc(C)c(CCC(=O)NC3CCN([C@H]4CCOC4)CC3)c(C)c12 ZINC000676344220 1075516851 /nfs/dbraw/zinc/51/68/51/1075516851.db2.gz JLNRRBZIRKZCAR-KRWDZBQOSA-N 0 3 415.538 1.896 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000676343713 1075517470 /nfs/dbraw/zinc/51/74/70/1075517470.db2.gz WBICTRNLIFNXAI-ROUUACIJSA-N 0 3 415.490 1.180 20 0 HDADHN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000676345107 1075517840 /nfs/dbraw/zinc/51/78/40/1075517840.db2.gz WJADZYXAGGCXNR-RXVVDRJESA-N 0 3 416.497 1.724 20 0 HDADHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676344464 1075518414 /nfs/dbraw/zinc/51/84/14/1075518414.db2.gz MZQRJKQZBMDWAH-GFCCVEGCSA-N 0 3 407.945 1.049 20 0 HDADHN COc1cc(OC)cc(N2C[C@@H](C(=O)NC3CCN([C@H]4CCOC4)CC3)CC2=O)c1 ZINC000676344570 1075518619 /nfs/dbraw/zinc/51/86/19/1075518619.db2.gz PJANQMHOTFCZKW-RDJZCZTQSA-N 0 3 417.506 1.426 20 0 HDADHN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NC3CCN([C@@H]4CCOC4)CC3)cc12 ZINC000676345627 1075519491 /nfs/dbraw/zinc/51/94/91/1075519491.db2.gz VPLYNSWUKBUSSV-UKRRQHHQSA-N 0 3 419.551 1.431 20 0 HDADHN COc1nnc(NC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)s1 ZINC000558812615 1075531177 /nfs/dbraw/zinc/53/11/77/1075531177.db2.gz UFYOTRJZKFZEBO-HNNXBMFYSA-N 0 3 417.539 2.008 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000676393104 1075541117 /nfs/dbraw/zinc/54/11/17/1075541117.db2.gz LOVBUYQGUKAVOY-QRQLOZEOSA-N 0 3 421.538 1.338 20 0 HDADHN CS(=O)(=O)c1ccc(NCCCCN2CCN(Cc3ccccc3)CC2)nc1 ZINC000582863067 1075544561 /nfs/dbraw/zinc/54/45/61/1075544561.db2.gz PGXNGZGPRSZTJM-UHFFFAOYSA-N 0 3 402.564 2.495 20 0 HDADHN CCCCCCN(C)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000731864042 1075558668 /nfs/dbraw/zinc/55/86/68/1075558668.db2.gz JPVHQVSZOYTLFR-UHFFFAOYSA-N 0 3 411.568 1.836 20 0 HDADHN COC1(CNC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)CCOCC1 ZINC000676564623 1075602560 /nfs/dbraw/zinc/60/25/60/1075602560.db2.gz BZFAIAZBCFTYBU-FQEVSTJZSA-N 0 3 404.555 1.860 20 0 HDADHN CN(CCCN1CCN(C)CC1)C(=O)/C=C/c1ccc(I)o1 ZINC000732114094 1075628271 /nfs/dbraw/zinc/62/82/71/1075628271.db2.gz FUOHKRQXRFNELF-FNORWQNLSA-N 0 3 417.291 1.993 20 0 HDADHN CN(C(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000732165447 1075643667 /nfs/dbraw/zinc/64/36/67/1075643667.db2.gz GNLZNRXYAOLSLL-IDTFUJSHSA-N 0 3 410.518 1.485 20 0 HDADHN CN(C(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)[C@H]1CCN(C2CC2)C1 ZINC000732165450 1075643710 /nfs/dbraw/zinc/64/37/10/1075643710.db2.gz GNLZNRXYAOLSLL-MELMLQDISA-N 0 3 410.518 1.485 20 0 HDADHN CN(Cc1cc(=O)[n-]c(N)n1)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000443519204 1075667926 /nfs/dbraw/zinc/66/79/26/1075667926.db2.gz FCLHSUDVWZIQGV-FUHWJXTLSA-N 0 3 417.558 1.245 20 0 HDADHN CN(Cc1cc(=O)[n-]c(N)n1)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000443519204 1075667928 /nfs/dbraw/zinc/66/79/28/1075667928.db2.gz FCLHSUDVWZIQGV-FUHWJXTLSA-N 0 3 417.558 1.245 20 0 HDADHN CN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)[C@@H]1CCN(C2CC2)C1 ZINC000732214770 1075669921 /nfs/dbraw/zinc/66/99/21/1075669921.db2.gz WGXRHCWEDPIZOT-QGZVFWFLSA-N 0 3 419.551 1.264 20 0 HDADHN CN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)[C@H]1CCN(C2CC2)C1 ZINC000732214769 1075669938 /nfs/dbraw/zinc/66/99/38/1075669938.db2.gz WGXRHCWEDPIZOT-KRWDZBQOSA-N 0 3 419.551 1.264 20 0 HDADHN COCCN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000141464607 1075684107 /nfs/dbraw/zinc/68/41/07/1075684107.db2.gz NDMIILHKELWNSH-UHFFFAOYSA-N 0 3 403.932 1.431 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000732232270 1075685211 /nfs/dbraw/zinc/68/52/11/1075685211.db2.gz HSVRSFJTVRFFRX-BFYDXBDKSA-N 0 3 411.572 1.985 20 0 HDADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@@H](C)C3)CC2)c1 ZINC000028903874 1075689187 /nfs/dbraw/zinc/68/91/87/1075689187.db2.gz LDUADIWQZLUOQR-MRXNPFEDSA-N 0 3 407.536 1.454 20 0 HDADHN CCCCCCN(C)CC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000732286260 1075698509 /nfs/dbraw/zinc/69/85/09/1075698509.db2.gz DEDBPRGRPSZDON-UHFFFAOYSA-N 0 3 402.586 1.797 20 0 HDADHN NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3nnc4ccccc4c3[O-])c2)C1 ZINC000732289442 1075700420 /nfs/dbraw/zinc/70/04/20/1075700420.db2.gz GPFKLJUVQPPOMI-KRWDZBQOSA-N 0 3 419.485 1.963 20 0 HDADHN NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3nnc4ccccc4c3[O-])c2)C1 ZINC000732289442 1075700425 /nfs/dbraw/zinc/70/04/25/1075700425.db2.gz GPFKLJUVQPPOMI-KRWDZBQOSA-N 0 3 419.485 1.963 20 0 HDADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)CN1C1CC1 ZINC000486216733 1075703675 /nfs/dbraw/zinc/70/36/75/1075703675.db2.gz BZTGPDKSILGTJG-HZPDHXFCSA-N 0 3 409.538 1.664 20 0 HDADHN C[C@H](OC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000732339648 1075709906 /nfs/dbraw/zinc/70/99/06/1075709906.db2.gz QSDLLHDPUVHMTN-WMLDXEAASA-N 0 3 421.453 1.506 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCNc1ccc2ccccc2n1 ZINC000521060434 1075714136 /nfs/dbraw/zinc/71/41/36/1075714136.db2.gz PGYSWBITCWXZAR-IBGZPJMESA-N 0 3 412.538 1.889 20 0 HDADHN CN(C)C1(CNC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)Cc2ccccc2C1 ZINC000441924082 1075718057 /nfs/dbraw/zinc/71/80/57/1075718057.db2.gz DEXITHWRWJYTTC-UHFFFAOYSA-N 0 3 401.536 1.990 20 0 HDADHN CN(C)CCN1C[C@@H](C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1=O ZINC000498854917 1075724028 /nfs/dbraw/zinc/72/40/28/1075724028.db2.gz MYHNZDAGAHBCET-ZDUSSCGKSA-N 0 3 420.311 1.983 20 0 HDADHN CN(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000732465996 1075753547 /nfs/dbraw/zinc/75/35/47/1075753547.db2.gz PBUWFUADNUUERO-DAYGRLMNSA-N 0 3 406.914 1.950 20 0 HDADHN CC(C)(C)c1cc(NC(=O)C(=O)Nc2cccc(CN3CCC(O)CC3)c2)no1 ZINC000437024079 1075770662 /nfs/dbraw/zinc/77/06/62/1075770662.db2.gz YXFBDPDRCVTICU-UHFFFAOYSA-N 0 3 400.479 2.506 20 0 HDADHN CC(C)(C)c1nnc(NC(=O)C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)s1 ZINC000464121801 1075778015 /nfs/dbraw/zinc/77/80/15/1075778015.db2.gz KXGLHKTZPQLXET-CQSZACIVSA-N 0 3 403.508 1.979 20 0 HDADHN COCCN1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000142453103 1075780004 /nfs/dbraw/zinc/78/00/04/1075780004.db2.gz CMNYTTRFRMSRAX-UHFFFAOYSA-N 0 3 413.515 1.451 20 0 HDADHN CN(C)CCN(CCc1ccccc1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732589502 1075795804 /nfs/dbraw/zinc/79/58/04/1075795804.db2.gz BAOVFEIWXOTXHW-INIZCTEOSA-N 0 3 400.445 1.966 20 0 HDADHN N[C@@H]1C[C@H]2CN(C(=O)c3cc(NCc4ccccc4)nc4ccccc43)CCN2C1=O ZINC000568267914 1075855411 /nfs/dbraw/zinc/85/54/11/1075855411.db2.gz OILGFQPTHANKKV-FXAWDEMLSA-N 0 3 415.497 2.231 20 0 HDADHN COC(=O)c1sccc1S(=O)(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000611167773 1075866243 /nfs/dbraw/zinc/86/62/43/1075866243.db2.gz WNEDISJBTRLERA-UHFFFAOYSA-N 0 3 415.581 1.714 20 0 HDADHN CS[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)=O)cc2)C[C@@H]1N(C)C ZINC000611217255 1075878070 /nfs/dbraw/zinc/87/80/70/1075878070.db2.gz ZYQGYFAQBWFHOB-AFAVFJNCSA-N 0 3 413.565 1.060 20 0 HDADHN CS[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)=O)cc2)C[C@H]1N(C)C ZINC000611217256 1075878281 /nfs/dbraw/zinc/87/82/81/1075878281.db2.gz ZYQGYFAQBWFHOB-JCURWCKSSA-N 0 3 413.565 1.060 20 0 HDADHN CN(C)[C@H](CNC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)Cc1ccccc1 ZINC000732883532 1075890944 /nfs/dbraw/zinc/89/09/44/1075890944.db2.gz VVDOVFOQYYOBSL-HOTGVXAUSA-N 0 3 400.445 1.964 20 0 HDADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H](O)c3ccccc3C)cc2)CC1 ZINC000732896400 1075897721 /nfs/dbraw/zinc/89/77/21/1075897721.db2.gz FXXVMBAHMYQFAN-JOCHJYFZSA-N 0 3 424.545 1.921 20 0 HDADHN Cc1cc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)ccc1N1C(=O)CCC1=O ZINC000733048839 1075954485 /nfs/dbraw/zinc/95/44/85/1075954485.db2.gz PQLQEBYNUIQPJR-GOEBONIOSA-N 0 3 414.506 1.824 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000733171542 1076001513 /nfs/dbraw/zinc/00/15/13/1076001513.db2.gz YKJJGNCYKKLIMO-GUYCJALGSA-N 0 3 422.517 1.981 20 0 HDADHN Cc1c(C(=O)NCCS(=O)(=O)C(C)(C)C)nnn1-c1cccc2c1CCN(C)C2 ZINC000733179882 1076009616 /nfs/dbraw/zinc/00/96/16/1076009616.db2.gz VFBLJTOQOSYXQH-UHFFFAOYSA-N 0 3 419.551 1.507 20 0 HDADHN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H]3C[C@H](C)N(C4CC4)C3)C2)no1 ZINC000514025273 1076016271 /nfs/dbraw/zinc/01/62/71/1076016271.db2.gz UYVFWTYSCBHPDV-JLJPHGGASA-N 0 3 404.515 1.390 20 0 HDADHN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H]3C[C@@H](C)N(C4CC4)C3)C2)no1 ZINC000514025272 1076016386 /nfs/dbraw/zinc/01/63/86/1076016386.db2.gz UYVFWTYSCBHPDV-FRFSOERESA-N 0 3 404.515 1.390 20 0 HDADHN Cc1cccc(CCNC(=O)C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)n1 ZINC000515007498 1076023534 /nfs/dbraw/zinc/02/35/34/1076023534.db2.gz LTYRESIUTIQYNJ-UHFFFAOYSA-N 0 3 412.456 1.970 20 0 HDADHN CC[C@@H](CO)NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C ZINC000727058167 1076035164 /nfs/dbraw/zinc/03/51/64/1076035164.db2.gz NHGUKRROASGBEE-HNNXBMFYSA-N 0 3 412.556 1.226 20 0 HDADHN CCN(CC)CCN(C(=S)NCC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000727071820 1076038294 /nfs/dbraw/zinc/03/82/94/1076038294.db2.gz GVGDPEAMPVCHRJ-INIZCTEOSA-N 0 3 406.662 1.280 20 0 HDADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000053547781 1076058340 /nfs/dbraw/zinc/05/83/40/1076058340.db2.gz WCOOWWVJANKFNI-IBGZPJMESA-N 0 3 415.538 1.202 20 0 HDADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000053547784 1076058552 /nfs/dbraw/zinc/05/85/52/1076058552.db2.gz WCOOWWVJANKFNI-LJQANCHMSA-N 0 3 415.538 1.202 20 0 HDADHN CN1CCN(CCCNC(=O)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000727608266 1076178626 /nfs/dbraw/zinc/17/86/26/1076178626.db2.gz GKVXLPZZOJYOTB-UHFFFAOYSA-N 0 3 420.514 1.121 20 0 HDADHN COc1cc(NS(C)(=O)=O)ccc1NC(=O)NCCCCN1CCN(C)CC1 ZINC000533181724 1076242674 /nfs/dbraw/zinc/24/26/74/1076242674.db2.gz JMNSRSBCOOPTNH-UHFFFAOYSA-N 0 3 413.544 1.216 20 0 HDADHN C[NH+](C)C1(CNC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)CCOCC1 ZINC000733980595 1076281501 /nfs/dbraw/zinc/28/15/01/1076281501.db2.gz GVOOVILVFWSRGL-UHFFFAOYSA-N 0 3 417.478 1.246 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O)N1CCCCC1 ZINC000727947319 1076293384 /nfs/dbraw/zinc/29/33/84/1076293384.db2.gz MJHZJXMJWDBIGA-AWEZNQCLSA-N 0 3 412.490 1.622 20 0 HDADHN O=C(CN1CCC[C@@H](C2OCCO2)C1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000728052649 1076320162 /nfs/dbraw/zinc/32/01/62/1076320162.db2.gz ABZKGSPDQBVQOW-LJQANCHMSA-N 0 3 407.555 1.713 20 0 HDADHN COCC(C)(C)NCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000728115433 1076337513 /nfs/dbraw/zinc/33/75/13/1076337513.db2.gz NEQBIHQGNOJNEY-UHFFFAOYSA-N 0 3 410.540 1.891 20 0 HDADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000728140703 1076341632 /nfs/dbraw/zinc/34/16/32/1076341632.db2.gz DPFUYBJCLKZWND-HZPDHXFCSA-N 0 3 406.502 1.837 20 0 HDADHN CC[C@@H](CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCc2ccccc2C1 ZINC000728151760 1076347990 /nfs/dbraw/zinc/34/79/90/1076347990.db2.gz DTEJOEKANPANOE-PXNSSMCTSA-N 0 3 414.531 1.670 20 0 HDADHN CC[C@@H](CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCc2ccccc2C1 ZINC000728151759 1076348124 /nfs/dbraw/zinc/34/81/24/1076348124.db2.gz DTEJOEKANPANOE-FXAWDEMLSA-N 0 3 414.531 1.670 20 0 HDADHN O=C(Nc1ccccc1)NC1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000730125436 1076465425 /nfs/dbraw/zinc/46/54/25/1076465425.db2.gz HUFJXEYXFUSHGL-MOPGFXCFSA-N 0 3 401.511 1.845 20 0 HDADHN CC(C)(C)OC(=O)N[C@H]1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000730263441 1076505302 /nfs/dbraw/zinc/50/53/02/1076505302.db2.gz UDWSVLABYISFSM-AWEZNQCLSA-N 0 3 412.512 1.262 20 0 HDADHN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000730277666 1076519887 /nfs/dbraw/zinc/51/98/87/1076519887.db2.gz UZJCIYYLMHWCIW-INIZCTEOSA-N 0 3 401.511 1.134 20 0 HDADHN CCCN(C)CC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000730279205 1076520371 /nfs/dbraw/zinc/52/03/71/1076520371.db2.gz LECCBMRDSJUSHM-KRWDZBQOSA-N 0 3 410.559 1.646 20 0 HDADHN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000730309432 1076525523 /nfs/dbraw/zinc/52/55/23/1076525523.db2.gz HUJLQLGXXLAMFZ-IBGZPJMESA-N 0 3 419.547 1.494 20 0 HDADHN Cc1cccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C2=O)c1 ZINC000730774132 1076650547 /nfs/dbraw/zinc/65/05/47/1076650547.db2.gz VBAGBIMTXILYSV-KZNAEPCWSA-N 0 3 400.479 1.179 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN3CCc4ccccc4[C@H]3C(N)=O)cc2)CC1 ZINC000730809394 1076666182 /nfs/dbraw/zinc/66/61/82/1076666182.db2.gz WQQFQNJFVBWUTQ-QHCPKHFHSA-N 0 3 421.545 1.852 20 0 HDADHN O=C(Nc1ccc(CN2CCOC2=O)cc1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000730920886 1076694359 /nfs/dbraw/zinc/69/43/59/1076694359.db2.gz PQDOWDRFYQUFFE-GOSISDBHSA-N 0 3 400.479 1.664 20 0 HDADHN O=C(Nc1cc2c(cc1Br)OCCO2)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000731133728 1076736545 /nfs/dbraw/zinc/73/65/45/1076736545.db2.gz BDOUYRJDQMLNKW-GFCCVEGCSA-N 0 3 424.295 1.759 20 0 HDADHN C[C@@H]1CN(c2ccc(NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)cc2)C[C@@H](C)O1 ZINC000731134617 1076737004 /nfs/dbraw/zinc/73/70/04/1076737004.db2.gz JYIIXOOEMHTCDV-MDZRGWNJSA-N 0 3 400.523 1.839 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)COC(=O)C3(NC(C)=O)CCCC3)cc2)CC1 ZINC000731253151 1076770017 /nfs/dbraw/zinc/77/00/17/1076770017.db2.gz WTDXZRCCRKEREM-UHFFFAOYSA-N 0 3 416.522 1.759 20 0 HDADHN Cc1ccc(C[C@@H](CO)NCc2ccccc2S(=O)(=O)N2CCOCC2)cc1 ZINC000466892024 1126093511 /nfs/dbraw/zinc/09/35/11/1126093511.db2.gz NNWBNVYVLYBHKF-FQEVSTJZSA-N 0 3 404.532 1.709 20 0 HDADHN Cc1cccc(C[C@H](CO)NCc2ccccc2S(=O)(=O)N2CCOCC2)c1 ZINC000466917890 1126094408 /nfs/dbraw/zinc/09/44/08/1126094408.db2.gz GXOVYRPSMPKQAX-HXUWFJFHSA-N 0 3 404.532 1.709 20 0 HDADHN O=C1c2ccccc2C(=O)N1Cc1n[nH]cc1CN[C@@H](CO)Cc1ccc(O)cc1 ZINC001180837012 1126152858 /nfs/dbraw/zinc/15/28/58/1126152858.db2.gz PNQMWGPZGNULBS-MRXNPFEDSA-N 0 3 406.442 1.605 20 0 HDADHN C(c1nc2sc3c(c2c(N2CC[C@@H]4NCCO[C@@H]4C2)n1)CCC3)N1CCOCC1 ZINC001164391742 718824415 /nfs/dbraw/zinc/82/44/15/718824415.db2.gz WVAHAJMPLRKTEU-JKSUJKDBSA-N 0 3 415.563 1.579 20 0 HDADHN O=C(N[C@@H]1CN(c2ncccc2CN2CCCC2)C[C@@H]2CCCO[C@@H]12)c1cnccn1 ZINC001164717925 720056139 /nfs/dbraw/zinc/05/61/39/720056139.db2.gz ZGYOVBKTFMIRFX-IOMROCGXSA-N 0 3 422.533 1.881 20 0 HDADHN CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2c2ncccc2CN2CCCC2)O1 ZINC001164721644 720324748 /nfs/dbraw/zinc/32/47/48/720324748.db2.gz CSLAIVLGPURRAU-UFYCRDLUSA-N 0 3 402.539 1.909 20 0 HDADHN CCOC(=O)c1ccc2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164736668 720697562 /nfs/dbraw/zinc/69/75/62/720697562.db2.gz AHNHTPDVGVVWDA-SJORKVTESA-N 0 3 420.473 1.938 20 0 HDADHN CCOC(=O)c1nc2ccn(C)c2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164738910 720743202 /nfs/dbraw/zinc/74/32/02/720743202.db2.gz GZCWQWRRJJCSPE-GJZGRUSLSA-N 0 3 423.477 1.277 20 0 HDADHN CCOC(=O)c1cnc2cc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)[nH]cc1-2 ZINC001164739008 720749074 /nfs/dbraw/zinc/74/90/74/720749074.db2.gz HKQABBQDSIDCAJ-HUUCEWRRSA-N 0 3 408.462 1.872 20 0 HDADHN O=c1ccccn1Cc1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164737176 720771141 /nfs/dbraw/zinc/77/11/41/720771141.db2.gz AJETZLHWFADKPD-RBUKOAKNSA-N 0 3 404.474 1.424 20 0 HDADHN COC(=O)c1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164871423 721048183 /nfs/dbraw/zinc/04/81/83/721048183.db2.gz YQOMOAZKHASDKU-LSDHHAIUSA-N 0 3 403.870 1.791 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164876536 721140844 /nfs/dbraw/zinc/14/08/44/721140844.db2.gz NBEPHDWQZBVTPB-QZTJIDSGSA-N 0 3 417.535 1.207 20 0 HDADHN CN1CCN(c2nccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164879869 721167028 /nfs/dbraw/zinc/16/70/28/721167028.db2.gz UWKHPQNFOYOQCE-PMACEKPBSA-N 0 3 409.538 1.103 20 0 HDADHN c1cncc(CO[C@@H]2C[C@@H]3CN(c4cc(N5CCSCC5)ncn4)CCN3C2)c1 ZINC001164880986 721168852 /nfs/dbraw/zinc/16/88/52/721168852.db2.gz YOQQMWAOYIXYFW-RTBURBONSA-N 0 3 412.563 1.905 20 0 HDADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(Cn5ccccc5=O)cn4)C[C@H]3C2)cn1 ZINC001164773314 721207634 /nfs/dbraw/zinc/20/76/34/721207634.db2.gz WEMAMKSMRPBBGP-LEWJYISDSA-N 0 3 404.518 1.983 20 0 HDADHN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc4c(nn3)CCNC4)C2)C1 ZINC001164780103 721358890 /nfs/dbraw/zinc/35/88/90/721358890.db2.gz DHISHJPUKLYMRI-JOCHJYFZSA-N 0 3 412.538 1.846 20 0 HDADHN CN(Cc1cccnc1)[C@H]1CN(c2ccnc(N3CCN(C)CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164802620 721585449 /nfs/dbraw/zinc/58/54/49/721585449.db2.gz HHHACGHNZBVYCQ-JAXLGGSGSA-N 0 3 423.565 1.492 20 0 HDADHN CN(Cc1ccc(N2CCC[C@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)nc1)C1CC1 ZINC001165023736 721777769 /nfs/dbraw/zinc/77/77/69/721777769.db2.gz UNHANGASDHNGIB-NFBKMPQASA-N 0 3 414.550 1.910 20 0 HDADHN CN(Cc1ccc(N2CC[C@@H]3[C@@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)nc1)C1CC1 ZINC001164958370 722032147 /nfs/dbraw/zinc/03/21/47/722032147.db2.gz OQUXEUZJXUNYJE-HMXCVIKNSA-N 0 3 424.549 1.681 20 0 HDADHN NC(=O)c1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164986094 722102265 /nfs/dbraw/zinc/10/22/65/722102265.db2.gz XYUPVCGRKIBSCU-DOTOQJQBSA-N 0 3 401.898 1.956 20 0 HDADHN c1cncc(CN2CCO[C@H]3CN(c4cc(N5CCOCC5)ncn4)CC[C@@H]3C2)c1 ZINC001164982802 722103109 /nfs/dbraw/zinc/10/31/09/722103109.db2.gz PDBYXZDMJJFLCC-UXHICEINSA-N 0 3 410.522 1.436 20 0 HDADHN CS(=O)(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164983826 722136218 /nfs/dbraw/zinc/13/62/18/722136218.db2.gz VKDLUISAJWZZTM-PKOBYXMFSA-N 0 3 402.520 1.607 20 0 HDADHN CN1CCN(c2nccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164978903 722149308 /nfs/dbraw/zinc/14/93/08/722149308.db2.gz KRHGRMNBNJXEOD-NHCUHLMSSA-N 0 3 423.565 1.351 20 0 HDADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000429044443 1073456919 /nfs/dbraw/zinc/45/69/19/1073456919.db2.gz UIZMCLQOOJSHKV-DENIHFKCSA-N 0 3 400.523 1.589 20 0 HDADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000429047557 1073467592 /nfs/dbraw/zinc/46/75/92/1073467592.db2.gz XKEQEDLZMNUOMD-NHCUHLMSSA-N 0 3 412.538 1.991 20 0 HDADHN COCCS(=O)(=O)c1ccc(CNC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000429058764 1073487707 /nfs/dbraw/zinc/48/77/07/1073487707.db2.gz ISPXWSOJRPBDII-UHFFFAOYSA-N 0 3 409.552 1.877 20 0 HDADHN Cc1sc2ncn(CC(=O)N3CCCN(C[C@H]4CCCO4)CC3)c(=O)c2c1C ZINC000625189505 1073556904 /nfs/dbraw/zinc/55/69/04/1073556904.db2.gz MHVGEXZKFJPKSI-MRXNPFEDSA-N 0 3 404.536 1.788 20 0 HDADHN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000625185622 1073564036 /nfs/dbraw/zinc/56/40/36/1073564036.db2.gz SPVGADLYAZPLGR-ZDUSSCGKSA-N 0 3 421.972 1.393 20 0 HDADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000055407336 1073582539 /nfs/dbraw/zinc/58/25/39/1073582539.db2.gz KUZPMQOSPXJSIS-HOTGVXAUSA-N 0 3 405.543 1.084 20 0 HDADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000055407336 1073582544 /nfs/dbraw/zinc/58/25/44/1073582544.db2.gz KUZPMQOSPXJSIS-HOTGVXAUSA-N 0 3 405.543 1.084 20 0 HDADHN Cc1cccc(N2CCN(CCC(=O)N3CCN([C@@H]4CCC[C@H]4O)CC3)CC2)c1 ZINC000673661571 1073615405 /nfs/dbraw/zinc/61/54/05/1073615405.db2.gz INFFSGPLSRTXRW-FGZHOGPDSA-N 0 3 400.567 1.565 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000673748962 1073672383 /nfs/dbraw/zinc/67/23/83/1073672383.db2.gz JCGQUSMTUFABNN-KRWDZBQOSA-N 0 3 401.532 2.000 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000673748963 1073672537 /nfs/dbraw/zinc/67/25/37/1073672537.db2.gz JCGQUSMTUFABNN-QGZVFWFLSA-N 0 3 401.532 2.000 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000673749646 1073684357 /nfs/dbraw/zinc/68/43/57/1073684357.db2.gz DWFCNCAVUUHJQZ-SFHVURJKSA-N 0 3 416.547 1.873 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000673757099 1073692460 /nfs/dbraw/zinc/69/24/60/1073692460.db2.gz IQLCIKDFIXTRNC-KRWDZBQOSA-N 0 3 416.547 1.869 20 0 HDADHN CCN1CCN(CCNC(=O)COc2cccc(I)c2)CC1 ZINC000509152673 1073768363 /nfs/dbraw/zinc/76/83/63/1073768363.db2.gz LCOUXTXMSSOJJH-UHFFFAOYSA-N 0 3 417.291 1.424 20 0 HDADHN Cc1c(C(=O)N2CCN(C3CCOCC3)CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000673828612 1073786148 /nfs/dbraw/zinc/78/61/48/1073786148.db2.gz IAQVFLRXQCKQKE-UHFFFAOYSA-N 0 3 424.549 1.500 20 0 HDADHN NC(=O)C1CCN(Cc2cccc(NC(=O)[C@@H]3CCCN3c3ncccn3)c2)CC1 ZINC000673831869 1073801427 /nfs/dbraw/zinc/80/14/27/1073801427.db2.gz DINXAOLILRLDBB-IBGZPJMESA-N 0 3 408.506 1.781 20 0 HDADHN CNC(=O)N[C@H]1CCN(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000466593033 1074054493 /nfs/dbraw/zinc/05/44/93/1074054493.db2.gz LOVVDYPJKIOKNS-FQEVSTJZSA-N 0 3 416.570 1.297 20 0 HDADHN CCNC(=O)COc1ccc(NC(=O)N2CCN(C(=O)CN(CC)CC)CC2)cc1 ZINC000509198973 1074060699 /nfs/dbraw/zinc/06/06/99/1074060699.db2.gz WMZMMHBVJUONSN-UHFFFAOYSA-N 0 3 419.526 1.219 20 0 HDADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000674040033 1074123682 /nfs/dbraw/zinc/12/36/82/1074123682.db2.gz XIEBVODYZCTJDX-KRWDZBQOSA-N 0 3 423.517 1.489 20 0 HDADHN CC(C)N1CCN(c2ccc(C(=O)N[C@H](CC(N)=O)C3CCOCC3)cc2)CC1 ZINC000466629235 1074164181 /nfs/dbraw/zinc/16/41/81/1074164181.db2.gz XEXCPDACQVENJR-HXUWFJFHSA-N 0 3 402.539 1.617 20 0 HDADHN CC[C@H](C)N(C)CCn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001545674893 1074237750 /nfs/dbraw/zinc/23/77/50/1074237750.db2.gz MYXXCGAPSUXWGB-WMZOPIPTSA-N 0 3 420.583 1.618 20 0 HDADHN COC1CCN(CCNC(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 ZINC000674315908 1074264992 /nfs/dbraw/zinc/26/49/92/1074264992.db2.gz PQBKKLCLUACGRW-UHFFFAOYSA-N 0 3 404.511 1.320 20 0 HDADHN CCN1CCN(C(=O)c2ccc(NC(=O)NCCN3CCC(OC)CC3)cc2)CC1 ZINC000674317007 1074265620 /nfs/dbraw/zinc/26/56/20/1074265620.db2.gz OSBPBBQGQQAEJV-UHFFFAOYSA-N 0 3 417.554 1.697 20 0 HDADHN COC1CCN(CCNC(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)CC1 ZINC000674316696 1074266031 /nfs/dbraw/zinc/26/60/31/1074266031.db2.gz HGZDVHVXYYVLMR-IBGZPJMESA-N 0 3 403.527 1.369 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 ZINC000674310909 1074268490 /nfs/dbraw/zinc/26/84/90/1074268490.db2.gz UUSVMUGFEPWVGB-GHTZIAJQSA-N 0 3 421.538 1.943 20 0 HDADHN COC1CCN(CCNC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)CC1 ZINC000674325480 1074275791 /nfs/dbraw/zinc/27/57/91/1074275791.db2.gz SKUJUGYWWNIAIH-UHFFFAOYSA-N 0 3 418.563 1.954 20 0 HDADHN COC1CCN(CCNC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000674329959 1074279098 /nfs/dbraw/zinc/27/90/98/1074279098.db2.gz WIKSZDNUKAMPNR-QGZVFWFLSA-N 0 3 404.511 1.076 20 0 HDADHN COC1CCN(CCNC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000674333003 1074286699 /nfs/dbraw/zinc/28/66/99/1074286699.db2.gz RQMAHPYOSURXCZ-HOJAQTOUSA-N 0 3 400.523 1.553 20 0 HDADHN O=C(NCC1(CN2CCOCC2)CCCCC1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000674404447 1074315887 /nfs/dbraw/zinc/31/58/87/1074315887.db2.gz PGXRURSFFKGGEV-WOJBJXKFSA-N 0 3 408.587 1.510 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1=O ZINC000674423666 1074326751 /nfs/dbraw/zinc/32/67/51/1074326751.db2.gz ADGIDEOCYTYNEX-FGSXEWAUSA-N 0 3 413.522 1.843 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1=O ZINC000674427693 1074331110 /nfs/dbraw/zinc/33/11/10/1074331110.db2.gz QWZZPYVPVOOCMM-SPEDKVCISA-N 0 3 413.522 1.671 20 0 HDADHN COc1cc(OC)cc(N2C[C@H](C(=O)NCCN3CCC(OC)CC3)CC2=O)c1 ZINC000674543592 1074425461 /nfs/dbraw/zinc/42/54/61/1074425461.db2.gz AEKOYWHXLALXEQ-OAHLLOKOSA-N 0 3 405.495 1.284 20 0 HDADHN C[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)c1nc(C(F)(F)F)cs1 ZINC000674577077 1074453179 /nfs/dbraw/zinc/45/31/79/1074453179.db2.gz PAODUHHSTNNWOM-VXGBXAGGSA-N 0 3 422.473 1.908 20 0 HDADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000674639360 1074498261 /nfs/dbraw/zinc/49/82/61/1074498261.db2.gz SYYTVIOCBAKPPK-IERDGZPVSA-N 0 3 419.501 1.619 20 0 HDADHN CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1=O ZINC000674641267 1074500690 /nfs/dbraw/zinc/50/06/90/1074500690.db2.gz GYKJZMGNLSOYIX-YCRPNKLZSA-N 0 3 417.510 1.606 20 0 HDADHN CC[C@H](NC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)C(=O)N1CCOCC1 ZINC000674647195 1074503838 /nfs/dbraw/zinc/50/38/38/1074503838.db2.gz HTJJMJMCMXRHAZ-ICSRJNTNSA-N 0 3 402.539 1.930 20 0 HDADHN C[C@@H](C(=O)Nc1cnccc1N1CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674657483 1074504766 /nfs/dbraw/zinc/50/47/66/1074504766.db2.gz OSTYFQWVEWCKDT-OAHLLOKOSA-N 0 3 402.520 1.979 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccc(OCCOC)c(F)c2)CC1 ZINC000509235829 1074528722 /nfs/dbraw/zinc/52/87/22/1074528722.db2.gz MYIWNPYJGVVHHT-UHFFFAOYSA-N 0 3 410.490 1.869 20 0 HDADHN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000674756422 1074549140 /nfs/dbraw/zinc/54/91/40/1074549140.db2.gz BBIQQDOCLOUWMJ-UHFFFAOYSA-N 0 3 407.492 1.753 20 0 HDADHN C[C@H]1CN(c2ccc(NC(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)cc2)CCO1 ZINC000766068445 1074561502 /nfs/dbraw/zinc/56/15/02/1074561502.db2.gz CBMQPLLTSKGBEI-PXNSSMCTSA-N 0 3 415.538 1.682 20 0 HDADHN CN(C)CCN(Cc1ccco1)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000674871301 1074592784 /nfs/dbraw/zinc/59/27/84/1074592784.db2.gz SEJFFNFFCOPOMZ-UHFFFAOYSA-N 0 3 408.524 1.949 20 0 HDADHN C[NH+]1CCC(OCC(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC001128861717 1074597107 /nfs/dbraw/zinc/59/71/07/1074597107.db2.gz ZJBJRZPCSKNVSB-UHFFFAOYSA-N 0 3 424.350 1.499 20 0 HDADHN CCc1ccc([C@H](CNC(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)N(C)C)cc1 ZINC000675084416 1074700713 /nfs/dbraw/zinc/70/07/13/1074700713.db2.gz WNJGCTNAOMEMIZ-ZWKOTPCHSA-N 0 3 401.511 1.530 20 0 HDADHN COC(=O)CCCc1nnc(NC(=O)N2CCN(c3ccncc3OC)CC2)s1 ZINC000432136736 1074704264 /nfs/dbraw/zinc/70/42/64/1074704264.db2.gz QUIPTVDYIGZNFU-UHFFFAOYSA-N 0 3 420.495 1.792 20 0 HDADHN Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nn1[C@H](C)C1CC1 ZINC000542347138 1074724170 /nfs/dbraw/zinc/72/41/70/1074724170.db2.gz HTYLMDZNGIVDQN-IEBWSBKVSA-N 0 3 416.570 1.728 20 0 HDADHN O=C(NCCCN1CCc2ccccc2C1)Nc1ccn(CCN2CCOCC2)n1 ZINC000438318834 1074726126 /nfs/dbraw/zinc/72/61/26/1074726126.db2.gz DXWVXJOGVNIISL-UHFFFAOYSA-N 0 3 412.538 1.785 20 0 HDADHN Cc1c(C(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)nnn1-c1cccc2c1CCN(C)C2 ZINC000675134254 1074727724 /nfs/dbraw/zinc/72/77/24/1074727724.db2.gz DYTXDFINRSKKDB-ZWKOTPCHSA-N 0 3 410.522 1.728 20 0 HDADHN Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)nn1[C@@H](C)C1CC1 ZINC000542347130 1074727653 /nfs/dbraw/zinc/72/76/53/1074727653.db2.gz HTYLMDZNGIVDQN-HKUYNNGSSA-N 0 3 416.570 1.728 20 0 HDADHN c1cnc2nc(NCCN3CCSCC3)c(NCCN3CCSCC3)nc2c1 ZINC000675151113 1074738414 /nfs/dbraw/zinc/73/84/14/1074738414.db2.gz HKRCOWNPCWHRNN-UHFFFAOYSA-N 0 3 419.624 1.946 20 0 HDADHN C[C@@H](NC(=O)[C@H](C)N[C@@H]1Cc2cccc(O)c2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000429321976 1074755913 /nfs/dbraw/zinc/75/59/13/1074755913.db2.gz GUIWZOQSWMOGDF-DVOMOZLQSA-N 0 3 403.504 1.362 20 0 HDADHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001128961221 1074766966 /nfs/dbraw/zinc/76/69/66/1074766966.db2.gz REXWDRWPEQLIQQ-NNWRFLSQSA-N 0 3 401.551 1.847 20 0 HDADHN CC1CCN([C@H](CNC(=O)Nc2ncn(CC(=O)N(C)C)n2)c2ccccc2)CC1 ZINC000475829995 1074768728 /nfs/dbraw/zinc/76/87/28/1074768728.db2.gz MNOOWGXOKAWRKT-GOSISDBHSA-N 0 3 413.526 1.961 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCNC(=O)c2ccc(Cl)cc2)CC1 ZINC000509326008 1075099709 /nfs/dbraw/zinc/09/97/09/1075099709.db2.gz DXWCCDWVRYLQCX-UHFFFAOYSA-N 0 3 423.945 1.265 20 0 HDADHN O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000675379839 1075118770 /nfs/dbraw/zinc/11/87/70/1075118770.db2.gz QYNRHHAUYUTYDW-SUMWQHHRSA-N 0 3 422.888 1.301 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)CC1 ZINC000675396749 1075125969 /nfs/dbraw/zinc/12/59/69/1075125969.db2.gz KZBDZKZOVDZVMR-ROUUACIJSA-N 0 3 412.538 1.573 20 0 HDADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000675451504 1075152478 /nfs/dbraw/zinc/15/24/78/1075152478.db2.gz FTRMANOYDUVCRQ-GUYCJALGSA-N 0 3 424.904 1.691 20 0 HDADHN CC(=O)NCc1ccc(S(=O)(=O)N2C[C@H](CN(C)C)Oc3ccccc32)s1 ZINC000675469144 1075163656 /nfs/dbraw/zinc/16/36/56/1075163656.db2.gz FYJJYDRGTMEVGR-AWEZNQCLSA-N 0 3 409.533 1.902 20 0 HDADHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2O1 ZINC000675472749 1075167906 /nfs/dbraw/zinc/16/79/06/1075167906.db2.gz RSLNLFBNDYIRAB-AWEZNQCLSA-N 0 3 410.517 1.608 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)c2ccc(N3NC(=O)CCC3=O)cc2)c2ccccc2O1 ZINC000675491227 1075175158 /nfs/dbraw/zinc/17/51/58/1075175158.db2.gz GPMJPICGFSJHMH-QGZVFWFLSA-N 0 3 408.458 1.814 20 0 HDADHN CNC(=O)COc1ccc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1OC ZINC000675490955 1075175276 /nfs/dbraw/zinc/17/52/76/1075175276.db2.gz FVHVQCXGYMMYPC-INIZCTEOSA-N 0 3 413.474 1.789 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)CCc2ccc(S(N)(=O)=O)cc2)c2ccccc2O1 ZINC000675490640 1075175578 /nfs/dbraw/zinc/17/55/78/1075175578.db2.gz LCXLPGJQSYKTNN-INIZCTEOSA-N 0 3 403.504 1.622 20 0 HDADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCC(S(C)(=O)=O)CC2)CC1 ZINC000675504174 1075186282 /nfs/dbraw/zinc/18/62/82/1075186282.db2.gz ZVWAJQTYCUPZNA-UHFFFAOYSA-N 0 3 407.580 1.538 20 0 HDADHN CSc1nc2nc(C)c(CC(=O)NC3CCN([C@H]4CCOC4)CC3)c(C)n2n1 ZINC000675536692 1075194556 /nfs/dbraw/zinc/19/45/56/1075194556.db2.gz CFRKKFRADJBCPP-HNNXBMFYSA-N 0 3 404.540 1.375 20 0 HDADHN COc1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc(Cl)c1OCC(N)=O ZINC000675538436 1075195018 /nfs/dbraw/zinc/19/50/18/1075195018.db2.gz YUMPJAVVTQECBL-AWEZNQCLSA-N 0 3 411.886 1.196 20 0 HDADHN CCOc1ccc(C(=O)NCC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1OCC ZINC000675538509 1075195677 /nfs/dbraw/zinc/19/56/77/1075195677.db2.gz IPLXYJNZVIOUNW-SFHVURJKSA-N 0 3 419.522 1.583 20 0 HDADHN COc1cccc(C[C@H](C(=O)NC2CCN([C@@H]3CCOC3)CC2)n2nnnc2C)c1 ZINC000675541236 1075196965 /nfs/dbraw/zinc/19/69/65/1075196965.db2.gz MDGCFZRDXGRJLT-UYAOXDASSA-N 0 3 414.510 1.143 20 0 HDADHN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000675540779 1075197348 /nfs/dbraw/zinc/19/73/48/1075197348.db2.gz ITBYUYPMAPUFPO-MOPGFXCFSA-N 0 3 402.474 1.274 20 0 HDADHN Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)no1 ZINC000557023542 1075226277 /nfs/dbraw/zinc/22/62/77/1075226277.db2.gz RQPIPSYHGGKDLZ-YOEHRIQHSA-N 0 3 418.519 2.249 20 0 HDADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675591265 1075228765 /nfs/dbraw/zinc/22/87/65/1075228765.db2.gz XWZNYRQTNUMIOR-IBGZPJMESA-N 0 3 417.485 1.730 20 0 HDADHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)c1 ZINC000675592604 1075231199 /nfs/dbraw/zinc/23/11/99/1075231199.db2.gz MBDOEXMIMLTGBE-HXUWFJFHSA-N 0 3 413.522 1.899 20 0 HDADHN O=C(Nc1cnn(CC2CC2)c1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000675598447 1075235280 /nfs/dbraw/zinc/23/52/80/1075235280.db2.gz UYBLSBRZEDUXFH-UYAOXDASSA-N 0 3 411.506 1.231 20 0 HDADHN CCNC(=O)C1(CNc2cc(NCC3(C(=O)NCC)CCC3)nc(C)n2)CCC1 ZINC000580809471 1075238836 /nfs/dbraw/zinc/23/88/36/1075238836.db2.gz DCEQLWLKRSNYPM-UHFFFAOYSA-N 0 3 402.543 2.222 20 0 HDADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3CCC(F)(F)C3)c2)CC1 ZINC000675704573 1075257489 /nfs/dbraw/zinc/25/74/89/1075257489.db2.gz NMFWAXGJTDMUFP-INIZCTEOSA-N 0 3 408.449 1.626 20 0 HDADHN COc1cc(Cl)ccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000675760227 1075265731 /nfs/dbraw/zinc/26/57/31/1075265731.db2.gz PVCYILOOKOBESG-AWEZNQCLSA-N 0 3 401.916 1.276 20 0 HDADHN COc1cc(Cl)ccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000675760228 1075265858 /nfs/dbraw/zinc/26/58/58/1075265858.db2.gz PVCYILOOKOBESG-CQSZACIVSA-N 0 3 401.916 1.276 20 0 HDADHN CNS(=O)(=O)Cc1ccc(CN[C@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000675764978 1075268641 /nfs/dbraw/zinc/26/86/41/1075268641.db2.gz YTKNZNNNLTVBLL-CQSZACIVSA-N 0 3 411.549 1.495 20 0 HDADHN COCC(=O)N1CCc2c1cccc2NC(=O)NCCCCN1CCN(C)CC1 ZINC000543652145 1075296755 /nfs/dbraw/zinc/29/67/55/1075296755.db2.gz MCOKCUVVQBDAFP-UHFFFAOYSA-N 0 3 403.527 1.371 20 0 HDADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000675937540 1075298842 /nfs/dbraw/zinc/29/88/42/1075298842.db2.gz YYJLDZDVYKMKAN-QGZVFWFLSA-N 0 3 416.522 1.745 20 0 HDADHN COc1cccc2c1OCC[C@@H]2NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000675976000 1075317793 /nfs/dbraw/zinc/31/77/93/1075317793.db2.gz CNSBWOQMTUMQAL-IRXDYDNUSA-N 0 3 402.495 1.467 20 0 HDADHN COc1ccccc1OCCCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000675978542 1075317880 /nfs/dbraw/zinc/31/78/80/1075317880.db2.gz JDQGZPJEBNFXGV-QGZVFWFLSA-N 0 3 404.511 1.412 20 0 HDADHN CCOC(=O)c1cn(C)nc1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000469930136 1075319909 /nfs/dbraw/zinc/31/99/09/1075319909.db2.gz QWXSZVRSLHPGJY-UHFFFAOYSA-N 0 3 417.432 2.524 20 0 HDADHN Cn1ccnc1C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1 ZINC000675996169 1075320171 /nfs/dbraw/zinc/32/01/71/1075320171.db2.gz GRKQKMVLJZVGKW-UXHICEINSA-N 0 3 424.549 1.652 20 0 HDADHN CO[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1Cl ZINC000676004187 1075322354 /nfs/dbraw/zinc/32/23/54/1075322354.db2.gz RMAZOKXARBQCKD-ROUUACIJSA-N 0 3 408.930 1.976 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000731401004 1075330106 /nfs/dbraw/zinc/33/01/06/1075330106.db2.gz IUJLQAOWHSFRMX-OKZBNKHCSA-N 0 3 423.535 1.624 20 0 HDADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCCOc1cccnc1 ZINC000804078923 1075333491 /nfs/dbraw/zinc/33/34/91/1075333491.db2.gz SPLQIDKZAKVDOS-UHFFFAOYSA-N 0 3 406.433 1.445 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccccc2COC2CCOCC2)CC1 ZINC000676044600 1075339407 /nfs/dbraw/zinc/33/94/07/1075339407.db2.gz DHWJQAVWUNHRBI-NRFANRHFSA-N 0 3 415.534 1.937 20 0 HDADHN Cc1c(C(=O)N2CCCC[C@@H]2C2OCCO2)nnn1-c1cccc2c1CCN(C)C2 ZINC000731460765 1075356048 /nfs/dbraw/zinc/35/60/48/1075356048.db2.gz BACBIVJQUBUELM-LJQANCHMSA-N 0 3 411.506 1.931 20 0 HDADHN NC(=O)c1ccc(N2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)nc1 ZINC000509383054 1075370557 /nfs/dbraw/zinc/37/05/57/1075370557.db2.gz CRFVCNOZTQOFRT-UHFFFAOYSA-N 0 3 408.550 1.515 20 0 HDADHN O=C(NCC1(N2CCSCC2)CCCC1)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000676088483 1075371477 /nfs/dbraw/zinc/37/14/77/1075371477.db2.gz AKTGCIOKTAZMOU-UHFFFAOYSA-N 0 3 414.535 1.684 20 0 HDADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000804089287 1075384525 /nfs/dbraw/zinc/38/45/25/1075384525.db2.gz VQJXTVJZINSFRJ-IRXDYDNUSA-N 0 3 412.575 1.985 20 0 HDADHN CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N1CCCN(C[C@H]3CCCO3)CC1)C2=O ZINC000676113487 1075387083 /nfs/dbraw/zinc/38/70/83/1075387083.db2.gz SFTJFGWEROMSIA-VGSWGCGISA-N 0 3 420.554 1.591 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1)CN1CCN(C)CC1 ZINC000429400871 1075390325 /nfs/dbraw/zinc/39/03/25/1075390325.db2.gz LJHRJVGJIOQZEW-KRWDZBQOSA-N 0 3 411.506 1.812 20 0 HDADHN CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000804093765 1075393279 /nfs/dbraw/zinc/39/32/79/1075393279.db2.gz POEGQTHADIKTLL-SJORKVTESA-N 0 3 410.559 1.881 20 0 HDADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000676195160 1075431787 /nfs/dbraw/zinc/43/17/87/1075431787.db2.gz YAFKCXXLKJQHCQ-UHFFFAOYSA-N 0 3 409.483 1.442 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)COC(=O)CNC(=O)C(C)(C)C)cc2)CC1 ZINC000804122033 1075434985 /nfs/dbraw/zinc/43/49/85/1075434985.db2.gz VFPYMTYVNLQHRY-UHFFFAOYSA-N 0 3 404.511 1.473 20 0 HDADHN C[C@H](NC(=O)NCCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CN(C)CCO1 ZINC000676243052 1075444256 /nfs/dbraw/zinc/44/42/56/1075444256.db2.gz GVVAWQQKJJTSNI-UNMCSNQZSA-N 0 3 417.598 1.603 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC(n2cc(Br)cn2)CC1 ZINC000731684194 1075467464 /nfs/dbraw/zinc/46/74/64/1075467464.db2.gz RGPAVGQMHSRPLJ-JKSUJKDBSA-N 0 3 412.332 1.855 20 0 HDADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CCC(n2cc(Br)cn2)CC1 ZINC000731684192 1075467557 /nfs/dbraw/zinc/46/75/57/1075467557.db2.gz RGPAVGQMHSRPLJ-HOTGVXAUSA-N 0 3 412.332 1.855 20 0 HDADHN COC(=O)c1ccsc1N1CC[C@@H](N2CCC(N3CCO[C@@H](C)C3)CC2)C1=O ZINC000466726078 1075493939 /nfs/dbraw/zinc/49/39/39/1075493939.db2.gz DMBSZIQIWCCHAU-WMLDXEAASA-N 0 3 407.536 1.825 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2cc(OC)c(OC)cc2OC)CC1 ZINC000509404977 1075505891 /nfs/dbraw/zinc/50/58/91/1075505891.db2.gz UBQXWJLNBKQORV-UHFFFAOYSA-N 0 3 422.526 1.408 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000543669881 1075510515 /nfs/dbraw/zinc/51/05/15/1075510515.db2.gz LMFKADVDVGZZRN-AQNXPRMDSA-N 0 3 418.513 1.994 20 0 HDADHN CCOc1ccccc1C(=O)NCCCC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676341454 1075515199 /nfs/dbraw/zinc/51/51/99/1075515199.db2.gz QPULMFHBXJWAQG-GOSISDBHSA-N 0 3 403.523 1.965 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000676343711 1075517077 /nfs/dbraw/zinc/51/70/77/1075517077.db2.gz WBICTRNLIFNXAI-MSOLQXFVSA-N 0 3 415.490 1.180 20 0 HDADHN C[C@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000676344628 1075518387 /nfs/dbraw/zinc/51/83/87/1075518387.db2.gz PYLGDJLWGVNIIR-MAUKXSAKSA-N 0 3 409.552 1.410 20 0 HDADHN COc1ccc([C@@H]2[C@H](C(=O)NC3CCN([C@H]4CCOC4)CC3)CCC(=O)N2C)cc1 ZINC000676345879 1075519104 /nfs/dbraw/zinc/51/91/04/1075519104.db2.gz WESJRVXOHPCERK-CZTZKLFOSA-N 0 3 415.534 1.974 20 0 HDADHN Cc1sc2ncn(CCC(=O)NC3CCN([C@H]4CCOC4)CC3)c(=O)c2c1C ZINC000676345717 1075519569 /nfs/dbraw/zinc/51/95/69/1075519569.db2.gz SJAAAYIQNOIWJM-INIZCTEOSA-N 0 3 404.536 1.834 20 0 HDADHN CCN1CCN(c2ccc(NS(=O)(=O)c3ccc(OC)c(C(N)=O)c3)cc2)CC1 ZINC000731780447 1075522356 /nfs/dbraw/zinc/52/23/56/1075522356.db2.gz CIEVZULHMFWLPV-UHFFFAOYSA-N 0 3 418.519 1.737 20 0 HDADHN C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCC(=O)NCC(=O)N1CCCC1 ZINC000731847568 1075530741 /nfs/dbraw/zinc/53/07/41/1075530741.db2.gz WKLTXRBYNYBFQJ-KKSFZXQISA-N 0 3 410.559 1.788 20 0 HDADHN Cc1nccc(NCc2cccc(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)c2)n1 ZINC000544488800 1075536543 /nfs/dbraw/zinc/53/65/43/1075536543.db2.gz STRHKSDMFPZQOC-UHFFFAOYSA-N 0 3 422.533 1.777 20 0 HDADHN COc1ccc(C(=O)CNC(=O)CCC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000676392776 1075541232 /nfs/dbraw/zinc/54/12/32/1075541232.db2.gz IUPMYSINMLLCJI-SFHVURJKSA-N 0 3 417.506 1.144 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccccc1S(=O)(=O)N1CCCCC1 ZINC000676392354 1075541532 /nfs/dbraw/zinc/54/15/32/1075541532.db2.gz FJUOBHWMGWHNNK-SFHVURJKSA-N 0 3 421.563 1.844 20 0 HDADHN CCC[NH+]1CCC(NC(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)CC1 ZINC000731892147 1075557831 /nfs/dbraw/zinc/55/78/31/1075557831.db2.gz VJGDXCJWVUJONH-CYBMUJFWSA-N 0 3 402.948 1.783 20 0 HDADHN CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)CCO2 ZINC000676523257 1075573951 /nfs/dbraw/zinc/57/39/51/1075573951.db2.gz WRCLCIMUPTUHJV-PKOBYXMFSA-N 0 3 419.522 1.594 20 0 HDADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)C1 ZINC000676552224 1075584851 /nfs/dbraw/zinc/58/48/51/1075584851.db2.gz ZCWWYPHDBCGOGC-NRFANRHFSA-N 0 3 418.501 1.998 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)CNC(=O)OCC(F)(F)F)CC1 ZINC000732056983 1075596722 /nfs/dbraw/zinc/59/67/22/1075596722.db2.gz AKZNWVRMGRWBPB-UHFFFAOYSA-N 0 3 416.444 1.729 20 0 HDADHN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NCc2ccccc2CN2CCC(O)CC2)CC1=O ZINC000429452320 1075607937 /nfs/dbraw/zinc/60/79/37/1075607937.db2.gz YQTHWUCVZFBLEK-BPAFIMBUSA-N 0 3 400.523 1.452 20 0 HDADHN CN(Cc1cc(=O)[n-]c(N)n1)[C@@H]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000443486303 1075613813 /nfs/dbraw/zinc/61/38/13/1075613813.db2.gz FTVMQNBFGGQVEC-GOSISDBHSA-N 0 3 413.526 1.242 20 0 HDADHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CC1=O ZINC000429456775 1075625426 /nfs/dbraw/zinc/62/54/26/1075625426.db2.gz XUPNNHMJEKQMDC-RUGGUXRKSA-N 0 3 400.523 1.178 20 0 HDADHN O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 ZINC000732112848 1075635151 /nfs/dbraw/zinc/63/51/51/1075635151.db2.gz HLSSWMZOLJNNSU-NRFANRHFSA-N 0 3 421.497 1.910 20 0 HDADHN Cc1csc([C@](O)(CC(=O)N(C)CCCN2CCN(C)CC2)C(F)(F)F)n1 ZINC000732113994 1075635506 /nfs/dbraw/zinc/63/55/06/1075635506.db2.gz JXODUQIFCREBAE-MRXNPFEDSA-N 0 3 408.490 1.687 20 0 HDADHN CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000732113155 1075635511 /nfs/dbraw/zinc/63/55/11/1075635511.db2.gz MPAUIWLALRWVBO-SFHVURJKSA-N 0 3 404.536 1.050 20 0 HDADHN CN(CCCN1CCN(C)CC1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000732114401 1075635889 /nfs/dbraw/zinc/63/58/89/1075635889.db2.gz KMQLUIKVMKTELC-SFHVURJKSA-N 0 3 406.958 1.784 20 0 HDADHN CCN1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O ZINC000732138481 1075646953 /nfs/dbraw/zinc/64/69/53/1075646953.db2.gz DCRRIJQEURCXGH-OAHLLOKOSA-N 0 3 409.508 1.082 20 0 HDADHN CCN1CCCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000732139954 1075647255 /nfs/dbraw/zinc/64/72/55/1075647255.db2.gz VTSPWHUIDPNTEP-OAHLLOKOSA-N 0 3 413.515 1.451 20 0 HDADHN C[C@H](c1ccncc1)N1CCC(NC(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000676702207 1075651781 /nfs/dbraw/zinc/65/17/81/1075651781.db2.gz QXJWSCQISSGSEY-OAHLLOKOSA-N 0 3 418.519 1.450 20 0 HDADHN O=C(NCCCCN1C(=O)c2ccccc2C1=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000732246361 1075679452 /nfs/dbraw/zinc/67/94/52/1075679452.db2.gz RDTOAUQJBJWXQA-JKSUJKDBSA-N 0 3 400.479 1.225 20 0 HDADHN Cc1cc(C)n(CCN2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)n1 ZINC001084996445 1075696360 /nfs/dbraw/zinc/69/63/60/1075696360.db2.gz JAOLDODMOIXXOJ-NXNFSMPISA-N 0 3 402.539 1.474 20 0 HDADHN COc1cc2nc(NC[C@@H]3C[C@@H](O)CN3Cc3ccccc3)nc(N)c2cc1OC ZINC000536304782 1075702198 /nfs/dbraw/zinc/70/21/98/1075702198.db2.gz HZQYFXGGONJOBJ-JKSUJKDBSA-N 0 3 409.490 1.698 20 0 HDADHN O=C(NCCCCN1CCN(c2ccccc2)CC1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000543685043 1075703782 /nfs/dbraw/zinc/70/37/82/1075703782.db2.gz DQLDEUMKJSLMEZ-GOSISDBHSA-N 0 3 408.568 1.465 20 0 HDADHN COC(=O)c1ccc(CS(=O)(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000543685143 1075705308 /nfs/dbraw/zinc/70/53/08/1075705308.db2.gz CGEGODBVHVBLHN-UHFFFAOYSA-N 0 3 423.579 1.653 20 0 HDADHN O=C(COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000732340647 1075710678 /nfs/dbraw/zinc/71/06/78/1075710678.db2.gz JXDWMVJMSHNKTM-UHFFFAOYSA-N 0 3 421.453 1.639 20 0 HDADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000486225696 1075720516 /nfs/dbraw/zinc/72/05/16/1075720516.db2.gz LLPXMWVGUYMXKV-HNAYVOBHSA-N 0 3 409.538 1.522 20 0 HDADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000509440981 1075724569 /nfs/dbraw/zinc/72/45/69/1075724569.db2.gz IFVPQQQTGWWVPX-FQEVSTJZSA-N 0 3 417.598 1.360 20 0 HDADHN CN1CCC(Oc2ccc(NC(=O)C(=O)NC[C@H](O)Cc3ccccc3)cn2)CC1 ZINC000509442208 1075726749 /nfs/dbraw/zinc/72/67/49/1075726749.db2.gz ZWJTWTDWVQHZJY-GOSISDBHSA-N 0 3 412.490 1.213 20 0 HDADHN CCCn1ccnc1CCCN(C)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000429260802 1075727259 /nfs/dbraw/zinc/72/72/59/1075727259.db2.gz OFRYCIDIDGYIHN-OAHLLOKOSA-N 0 3 407.540 1.832 20 0 HDADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000468465736 1075741986 /nfs/dbraw/zinc/74/19/86/1075741986.db2.gz HUDZETOHHMHLAF-FQEVSTJZSA-N 0 3 420.517 1.748 20 0 HDADHN C[C@H]1CCN(C)CCN1C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509259557 1075745327 /nfs/dbraw/zinc/74/53/27/1075745327.db2.gz VNCUIFSDIUICEM-GJZGRUSLSA-N 0 3 400.570 1.494 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000732463849 1075751925 /nfs/dbraw/zinc/75/19/25/1075751925.db2.gz SSGJYVJCBKOCKQ-QGZVFWFLSA-N 0 3 403.527 1.307 20 0 HDADHN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000467694990 1075764754 /nfs/dbraw/zinc/76/47/54/1075764754.db2.gz CYLGDFAEPHCNHV-KBXCAEBGSA-N 0 3 407.522 2.035 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(N3CCCCC3)c2)CC1 ZINC000142580880 1075783143 /nfs/dbraw/zinc/78/31/43/1075783143.db2.gz NHTVWZMYIRHFMY-SFHVURJKSA-N 0 3 401.555 1.758 20 0 HDADHN CN(C)[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)c1ccccc1 ZINC000016599914 1075790883 /nfs/dbraw/zinc/79/08/83/1075790883.db2.gz JUPNZBBSHNJZOP-IBGZPJMESA-N 0 3 420.535 1.079 20 0 HDADHN CC(C)[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1nncn1C ZINC000509274684 1075792953 /nfs/dbraw/zinc/79/29/53/1075792953.db2.gz RUYTXIZNZUJXEW-QRVBRYPASA-N 0 3 400.527 1.694 20 0 HDADHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000645620724 1075800390 /nfs/dbraw/zinc/80/03/90/1075800390.db2.gz QSDULZFAHRQLFI-NHYWBVRUSA-N 0 3 408.289 2.280 20 0 HDADHN CCN(CC)C(=O)CN1CCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000509277215 1075815951 /nfs/dbraw/zinc/81/59/51/1075815951.db2.gz SVNTZOSXFWBGHX-UHFFFAOYSA-N 0 3 401.599 1.685 20 0 HDADHN CCOC(=O)CC[C@@H]1CCCN([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000611038054 1075818578 /nfs/dbraw/zinc/81/85/78/1075818578.db2.gz IRMZDRXNAPEQTK-ROUUACIJSA-N 0 3 403.527 1.569 20 0 HDADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C(=O)OC)ccc1-n1cc(C)cn1 ZINC000611099767 1075843237 /nfs/dbraw/zinc/84/32/37/1075843237.db2.gz SDXKYWRYBZCZSD-INIZCTEOSA-N 0 3 413.478 1.506 20 0 HDADHN CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000611154046 1075863504 /nfs/dbraw/zinc/86/35/04/1075863504.db2.gz LARCKYCVLOAEAX-SFHVURJKSA-N 0 3 407.580 1.893 20 0 HDADHN COC(=O)[C@@]1(NC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)CCSC1 ZINC000611160428 1075864036 /nfs/dbraw/zinc/86/40/36/1075864036.db2.gz ADBHRSXKVZIMMT-HXUWFJFHSA-N 0 3 415.519 1.342 20 0 HDADHN O=C(NCCN1CCCC1)c1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1 ZINC000732780191 1075864459 /nfs/dbraw/zinc/86/44/59/1075864459.db2.gz PBWFOIOISRFLSP-UHFFFAOYSA-N 0 3 423.517 1.996 20 0 HDADHN COC(=O)c1ccc(S(=O)(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)cc1 ZINC000611167732 1075865965 /nfs/dbraw/zinc/86/59/65/1075865965.db2.gz MFEUSACQTFDYIR-UHFFFAOYSA-N 0 3 409.552 1.652 20 0 HDADHN C[C@@H](N[C@H](C)c1ccc2c(c1)CC(=O)N2C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000732919761 1075914105 /nfs/dbraw/zinc/91/41/05/1075914105.db2.gz VYFWPWIAWOHDIC-HZPDHXFCSA-N 0 3 408.506 1.383 20 0 HDADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCCCO4)C2)CC1 ZINC000611367761 1075914616 /nfs/dbraw/zinc/91/46/16/1075914616.db2.gz YLDZYXOEWPXDEX-SFHVURJKSA-N 0 3 416.522 1.413 20 0 HDADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)Nc3cccc(Cn4cccn4)c3)C2)CC1 ZINC000611367559 1075914665 /nfs/dbraw/zinc/91/46/65/1075914665.db2.gz XLLHFBYTGOAVKH-NRFANRHFSA-N 0 3 424.549 1.497 20 0 HDADHN CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000732981514 1075936115 /nfs/dbraw/zinc/93/61/15/1075936115.db2.gz AEIUDLHODGDSGD-LJQANCHMSA-N 0 3 402.539 1.930 20 0 HDADHN Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)ccc1N1C(=O)CCC1=O ZINC000733047559 1075953914 /nfs/dbraw/zinc/95/39/14/1075953914.db2.gz JAIFPXPPSOLEQL-QGZVFWFLSA-N 0 3 412.490 1.674 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000733158941 1075990715 /nfs/dbraw/zinc/99/07/15/1075990715.db2.gz UMNVLSCDRWUCNN-OAHLLOKOSA-N 0 3 413.515 1.449 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000733159990 1075992533 /nfs/dbraw/zinc/99/25/33/1075992533.db2.gz ZAUGTHGOOYEIBE-AWEZNQCLSA-N 0 3 412.531 1.022 20 0 HDADHN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H](C)C3=CCN(C)CC3)C2)no1 ZINC000511227407 1075993265 /nfs/dbraw/zinc/99/32/65/1075993265.db2.gz BWBZLXLQNGJDLI-WMLDXEAASA-N 0 3 404.515 1.415 20 0 HDADHN CCN1CCN(CCNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)CC1 ZINC000733161050 1075994220 /nfs/dbraw/zinc/99/42/20/1075994220.db2.gz HAQIYDGFOBGOGL-UHFFFAOYSA-N 0 3 405.520 1.621 20 0 HDADHN CCN1CCN(CCNC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000733162859 1075995627 /nfs/dbraw/zinc/99/56/27/1075995627.db2.gz USHXAXOFMOMOQH-HEHNFIMWSA-N 0 3 407.518 1.606 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC1 ZINC000733170757 1076000521 /nfs/dbraw/zinc/00/05/21/1076000521.db2.gz RQDVEATVEFYMIC-HOTGVXAUSA-N 0 3 400.589 1.686 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000733170034 1076000718 /nfs/dbraw/zinc/00/07/18/1076000718.db2.gz IZIMIRSEVODOQQ-HUUCEWRRSA-N 0 3 408.465 1.540 20 0 HDADHN CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)CN1CCC[C@@H]1C ZINC001081101854 1076001887 /nfs/dbraw/zinc/00/18/87/1076001887.db2.gz RQCJENDGRBZETI-MZNRPPOFSA-N 0 3 403.567 1.981 20 0 HDADHN C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1NCc1cccc2c1OCCO2 ZINC001082658327 1076062612 /nfs/dbraw/zinc/06/26/12/1076062612.db2.gz XJRAHNLDMBOKAS-OKRWTYQPSA-N 0 3 402.491 1.446 20 0 HDADHN CC(C)NC(=O)CNC(=S)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000727277825 1076089270 /nfs/dbraw/zinc/08/92/70/1076089270.db2.gz QMEOCIHFLMUTEZ-SFHVURJKSA-N 0 3 418.611 1.315 20 0 HDADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)CN(C)C(=O)C2CC2)CC1 ZINC000733516676 1076093043 /nfs/dbraw/zinc/09/30/43/1076093043.db2.gz FCPRZOOTWNMLQS-UHFFFAOYSA-N 0 3 401.507 1.441 20 0 HDADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)CC1 ZINC000733663544 1076144362 /nfs/dbraw/zinc/14/43/62/1076144362.db2.gz QEZCJEZUMXAMTI-UHFFFAOYSA-N 0 3 411.506 1.875 20 0 HDADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000727609362 1076179031 /nfs/dbraw/zinc/17/90/31/1076179031.db2.gz AJJNAGXWPOIWEY-UHFFFAOYSA-N 0 3 420.514 1.121 20 0 HDADHN CN1CCN(Cc2ccc(CNC(=O)Cc3csc(-c4nc[nH]n4)n3)cc2)CC1 ZINC000727766960 1076220655 /nfs/dbraw/zinc/22/06/55/1076220655.db2.gz MULAVFNUUNVWOO-UHFFFAOYSA-N 0 3 411.535 1.535 20 0 HDADHN C[C@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)CN1CCN(C)CC1 ZINC000733882524 1076237964 /nfs/dbraw/zinc/23/79/64/1076237964.db2.gz QTFUQQFQDMEOMW-CQSZACIVSA-N 0 3 416.975 1.204 20 0 HDADHN CN1Cc2ccccc2[C@H](NC(=O)NCCCCN2CCN(c3ncccn3)CC2)C1 ZINC000535266361 1076250583 /nfs/dbraw/zinc/25/05/83/1076250583.db2.gz QNMSQRVGJXKZLO-OAQYLSRUSA-N 0 3 423.565 1.865 20 0 HDADHN O=C(CN[C@@]1(CO)CCCN(Cc2ccccc2)C1)NC(=O)NCc1ccco1 ZINC000733897702 1076258309 /nfs/dbraw/zinc/25/83/09/1076258309.db2.gz NQJDLIZAPDWDPM-NRFANRHFSA-N 0 3 400.479 1.222 20 0 HDADHN CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000727828817 1076263260 /nfs/dbraw/zinc/26/32/60/1076263260.db2.gz NSTBMTFBLARPGH-LJQANCHMSA-N 0 3 402.539 1.884 20 0 HDADHN CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000728024412 1076309011 /nfs/dbraw/zinc/30/90/11/1076309011.db2.gz MHHXTIPWZSDYBX-GQMMIMOESA-N 0 3 411.568 1.636 20 0 HDADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2ccc(OC3CCCC3)cc2)C1 ZINC000728060967 1076314615 /nfs/dbraw/zinc/31/46/15/1076314615.db2.gz XQFWWSDTVSMCPZ-MRXNPFEDSA-N 0 3 409.552 1.874 20 0 HDADHN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCC[C@@H](C4OCCO4)C3)CC2)C1 ZINC000728053699 1076320531 /nfs/dbraw/zinc/32/05/31/1076320531.db2.gz PZUXLUNCFQEZOG-IEBWSBKVSA-N 0 3 407.555 1.568 20 0 HDADHN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000728073729 1076333334 /nfs/dbraw/zinc/33/33/34/1076333334.db2.gz XSWKVLCMRUKJQF-IFORROHYSA-N 0 3 410.584 1.303 20 0 HDADHN COc1ccc(CCN2CC[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@@H]3C2)cc1 ZINC001084540446 1076370186 /nfs/dbraw/zinc/37/01/86/1076370186.db2.gz CWTZFRGROXYLTK-OCFWJZSCSA-N 0 3 400.519 1.822 20 0 HDADHN CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000730309435 1076525483 /nfs/dbraw/zinc/52/54/83/1076525483.db2.gz HUJLQLGXXLAMFZ-LJQANCHMSA-N 0 3 419.547 1.494 20 0 HDADHN CN(C)CCN(Cc1ccccn1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000730547937 1076598467 /nfs/dbraw/zinc/59/84/67/1076598467.db2.gz NNHUWBKTVNGYRY-QHCPKHFHSA-N 0 3 421.501 1.365 20 0 HDADHN COCCc1noc(COC(=O)C2CCN(c3ccc4c(c3)OCCO4)C2=O)n1 ZINC000730622787 1076614010 /nfs/dbraw/zinc/61/40/10/1076614010.db2.gz SVPFCWVVCOLQDY-ZDUSSCGKSA-N 0 3 403.391 1.126 20 0 HDADHN CN(C)CCN(Cc1ccccn1)C(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000730675168 1076635585 /nfs/dbraw/zinc/63/55/85/1076635585.db2.gz LEHVVNXDWSVXBY-UHFFFAOYSA-N 0 3 419.551 1.274 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN3CCc4ccccc4[C@@H]3C(N)=O)cc2)CC1 ZINC000730809390 1076666163 /nfs/dbraw/zinc/66/61/63/1076666163.db2.gz WQQFQNJFVBWUTQ-HSZRJFAPSA-N 0 3 421.545 1.852 20 0 HDADHN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H]2CCN(CCOC)C2)cc1 ZINC000730841121 1076670772 /nfs/dbraw/zinc/67/07/72/1076670772.db2.gz BLOKMKSIHVCBLW-INIZCTEOSA-N 0 3 419.551 1.860 20 0 HDADHN CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000730917993 1076691410 /nfs/dbraw/zinc/69/14/10/1076691410.db2.gz BAQPQCLPLFTLBJ-QGZVFWFLSA-N 0 3 423.535 1.135 20 0 HDADHN Cn1cc(/C=C/C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)c(=O)n(C)c1=O ZINC000731198829 1076751522 /nfs/dbraw/zinc/75/15/22/1076751522.db2.gz IWNNJSQMIXECCS-CMDGGOBGSA-N 0 3 418.538 1.027 20 0 HDADHN O=S(=O)(c1ccccc1CN[C@@H](CO)Cc1ccc(F)cc1)N1CCOCC1 ZINC000480503633 1126095032 /nfs/dbraw/zinc/09/50/32/1126095032.db2.gz ZDHFCRNJPSAELZ-LJQANCHMSA-N 0 3 408.495 1.540 20 0 HDADHN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2NCCO[C@@H]2C1 ZINC001164389687 718822319 /nfs/dbraw/zinc/82/23/19/718822319.db2.gz JFBZONRJRNIIOG-QWHCGFSZSA-N 0 3 402.829 1.809 20 0 HDADHN CNC(=O)CN1CCCC12CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)CC2 ZINC001164685942 719716370 /nfs/dbraw/zinc/71/63/70/719716370.db2.gz VWXZEIGSCKHKSZ-UHFFFAOYSA-N 0 3 422.533 1.543 20 0 HDADHN COC[C@@H]1CN(CC2CC2)C[C@]12CCN(c1cc(OC)nc(S(C)(=O)=O)n1)C2 ZINC001164809969 720118654 /nfs/dbraw/zinc/11/86/54/720118654.db2.gz IZVCUJYXYIROSD-KXBFYZLASA-N 0 3 410.540 1.073 20 0 HDADHN COc1cc2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2cc1OC ZINC001164743647 720645785 /nfs/dbraw/zinc/64/57/85/720645785.db2.gz PXEWSKUNXAWTQI-LSDHHAIUSA-N 0 3 408.462 1.779 20 0 HDADHN Cc1cc(NC(=O)c2cccnc2N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)no1 ZINC001164743428 720755532 /nfs/dbraw/zinc/75/55/32/720755532.db2.gz QBZBCVIGIAJPHJ-HZPDHXFCSA-N 0 3 421.461 1.762 20 0 HDADHN c1nc2c(ncnc2N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1-c1ccccc1 ZINC001164751988 720797393 /nfs/dbraw/zinc/79/73/93/720797393.db2.gz YIYQFHRCTHKXBP-QZTJIDSGSA-N 0 3 414.473 1.947 20 0 HDADHN COc1cc(OC)c2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164744928 720804394 /nfs/dbraw/zinc/80/43/94/720804394.db2.gz JTDIOPFQIUBEPC-HOCLYGCPSA-N 0 3 408.462 1.779 20 0 HDADHN O=C(NC[C@@H]1OC[C@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@@H]12)c1ccno1 ZINC001164855621 720912367 /nfs/dbraw/zinc/91/23/67/720912367.db2.gz IXOAWYWJRBEBRS-GGPKGHCWSA-N 0 3 411.506 1.937 20 0 HDADHN O=C(c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1)N1CCOCC1 ZINC001164869944 721049942 /nfs/dbraw/zinc/04/99/42/721049942.db2.gz URUCBFXNLGWQJU-RTWAWAEBSA-N 0 3 423.517 1.429 20 0 HDADHN CCOC(=O)c1nc2ccn(C)c2c(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164767618 721182134 /nfs/dbraw/zinc/18/21/34/721182134.db2.gz KEOHYEMPSRRQQC-SJORKVTESA-N 0 3 423.521 1.837 20 0 HDADHN CCNS(=O)(=O)c1ccc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164771513 721196487 /nfs/dbraw/zinc/19/64/87/721196487.db2.gz QTEIFEGWGVKETG-SJORKVTESA-N 0 3 404.540 1.072 20 0 HDADHN CC(C)NS(=O)(=O)c1ccc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164764049 721197294 /nfs/dbraw/zinc/19/72/94/721197294.db2.gz GCXAWGJJEYMPLE-MSOLQXFVSA-N 0 3 418.567 1.460 20 0 HDADHN O=C(COC[C@@]12COC[C@H]1CN(c1ccc(CN3CCCC3)cn1)C2)N1CCCC1 ZINC001164882531 721337397 /nfs/dbraw/zinc/33/73/97/721337397.db2.gz FWDBIKCMTVESGP-NFBKMPQASA-N 0 3 414.550 1.769 20 0 HDADHN CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCn4cc(CN5CCN(C)CC5)nc4C3)c12 ZINC001164794229 721510866 /nfs/dbraw/zinc/51/08/66/721510866.db2.gz LTCXTDPSTWANII-UHFFFAOYSA-N 0 3 424.509 1.099 20 0 HDADHN CCNS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164908687 721553654 /nfs/dbraw/zinc/55/36/54/721553654.db2.gz RQZZAQQPWVQXCC-SJLPKXTDSA-N 0 3 420.510 1.861 20 0 HDADHN CNC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164904751 721566009 /nfs/dbraw/zinc/56/60/09/721566009.db2.gz FNPYLYFUHGJTOW-HIFRSBDPSA-N 0 3 405.861 1.971 20 0 HDADHN CN(C)Cc1ccnc(N2CCOC[C@]3(CN(c4ccsc4)C(=O)CO3)C2)c1 ZINC001164797192 721594473 /nfs/dbraw/zinc/59/44/73/721594473.db2.gz FNIFNOAYLWPBAT-HXUWFJFHSA-N 0 3 402.520 1.844 20 0 HDADHN CN(Cc1ccc(N2CCC[C@@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)nc1)C1CC1 ZINC001165023738 721777647 /nfs/dbraw/zinc/77/76/47/721777647.db2.gz UNHANGASDHNGIB-OFNKIYASSA-N 0 3 414.550 1.910 20 0 HDADHN CC(C)C(=O)N1CCO[C@]2(C1)COCCN(c1ccc(CN(C)C3CC3)cn1)C2 ZINC001165025602 721787879 /nfs/dbraw/zinc/78/78/79/721787879.db2.gz VVIUJVHNMNNODN-JOCHJYFZSA-N 0 3 402.539 1.766 20 0 HDADHN Cc1nc(CN2CCOC[C@@]3(CN(c4cc(N(C)C)nc(C)n4)CCO3)C2)cs1 ZINC001164925528 721823724 /nfs/dbraw/zinc/82/37/24/721823724.db2.gz RTTFUNWDKORQBF-FQEVSTJZSA-N 0 3 418.567 1.724 20 0 HDADHN O=C([C@H]1COC2(C1)CCN(c1ccc(CN3CCCC3)cn1)CC2)N1CCOCC1 ZINC001164965540 722045588 /nfs/dbraw/zinc/04/55/88/722045588.db2.gz ZFVJAOPMOOXTEG-HXUWFJFHSA-N 0 3 414.550 1.912 20 0 HDADHN Cn1ccnc1C(=O)N[C@@H]1CN(c2ccc(CN3CCCC3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164981273 722093304 /nfs/dbraw/zinc/09/33/04/722093304.db2.gz NDBHTISJANNRKQ-QWFCFKBJSA-N 0 3 410.522 1.577 20 0 HDADHN Cn1ccnc1C(=O)N[C@@H]1CN(c2ncccc2CN2CCCC2)[C@H]2CCCO[C@H]12 ZINC001164984062 722093772 /nfs/dbraw/zinc/09/37/72/722093772.db2.gz VDEJBIJQAZIHSF-CEXWTWQISA-N 0 3 410.522 1.577 20 0 HDADHN CN1CCN(c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)CC1 ZINC001164978374 722101985 /nfs/dbraw/zinc/10/19/85/722101985.db2.gz GTATXHBIQMTXIR-SFTDATJTSA-N 0 3 423.565 1.351 20 0 HDADHN COC(=O)c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc1OC ZINC001164978201 722103982 /nfs/dbraw/zinc/10/39/82/722103982.db2.gz GDNZEGXEKQASLC-XLIONFOSSA-N 0 3 412.490 1.999 20 0 HDADHN c1cncc(CN2CCO[C@H]3CN(c4ccnc(N5CCOCC5)n4)CC[C@@H]3C2)c1 ZINC001164981040 722129078 /nfs/dbraw/zinc/12/90/78/722129078.db2.gz SEQDDBITKPTWGQ-UXHICEINSA-N 0 3 410.522 1.436 20 0 HDADHN O=c1ccccn1-c1nccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984174 722145900 /nfs/dbraw/zinc/14/59/00/722145900.db2.gz VZGLUORVFBXXCA-WOJBJXKFSA-N 0 3 418.501 1.750 20 0 HDADHN CC(C)(O)CN1CCN(C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)CC1 ZINC000429053875 1073476946 /nfs/dbraw/zinc/47/69/46/1073476946.db2.gz NZQJSMRHHVLDLE-LJQANCHMSA-N 0 3 406.596 1.702 20 0 HDADHN O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1CCN1C(=O)c2ccccc2C1=O ZINC000509089346 1073506475 /nfs/dbraw/zinc/50/64/75/1073506475.db2.gz JJJRPIJGMFZVQA-QHCPKHFHSA-N 0 3 418.453 1.479 20 0 HDADHN CN(C)CCN1C[C@H](C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1=O ZINC000673646005 1073511572 /nfs/dbraw/zinc/51/15/72/1073511572.db2.gz RUZGJHQZZLEIIE-UTUOFQBUSA-N 0 3 403.367 1.986 20 0 HDADHN O=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)NC[C@@H]1CCCCN1C1CC1 ZINC000429106127 1073589641 /nfs/dbraw/zinc/58/96/41/1073589641.db2.gz XRBGTIZWPITDSA-WMZOPIPTSA-N 0 3 412.542 1.657 20 0 HDADHN O=C(NC[C@H]1CCCCN1C1CC1)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000429106121 1073589774 /nfs/dbraw/zinc/58/97/74/1073589774.db2.gz XRBGTIZWPITDSA-FUHWJXTLSA-N 0 3 412.542 1.657 20 0 HDADHN Cc1c(C(=O)N2CCN(c3cnn(C)c3)CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000673693563 1073636106 /nfs/dbraw/zinc/63/61/06/1073636106.db2.gz VHNPNPKDHKKKTL-UHFFFAOYSA-N 0 3 420.521 1.260 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000673757292 1073692253 /nfs/dbraw/zinc/69/22/53/1073692253.db2.gz JIMLZJUKRKUWGJ-LJQANCHMSA-N 0 3 424.545 1.763 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000673771929 1073705897 /nfs/dbraw/zinc/70/58/97/1073705897.db2.gz PFCRSRSLUGUALX-IEBWSBKVSA-N 0 3 408.568 1.716 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CC1 ZINC000673817289 1073772447 /nfs/dbraw/zinc/77/24/47/1073772447.db2.gz RDIHRACWGBWNTO-WOJBJXKFSA-N 0 3 402.514 1.731 20 0 HDADHN CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)N[C@@H](CC(N)=O)C2CCOCC2)cc1 ZINC000543490816 1073800368 /nfs/dbraw/zinc/80/03/68/1073800368.db2.gz SPMOCHGNFFLWHQ-KSSFIOAISA-N 0 3 405.495 1.839 20 0 HDADHN NC(=O)C[C@H](NCCS(=O)(=O)c1ccc(Br)cc1)C1CCOCC1 ZINC000543492005 1073813132 /nfs/dbraw/zinc/81/31/32/1073813132.db2.gz DKIMCNUKECLRDD-HNNXBMFYSA-N 0 3 419.341 1.483 20 0 HDADHN CC[C@H](NCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)[C@H]1CCCO1 ZINC000543494956 1073831130 /nfs/dbraw/zinc/83/11/30/1073831130.db2.gz SLSLPNURWLYUSB-PKOBYXMFSA-N 0 3 409.552 1.763 20 0 HDADHN O=C(NC1CCN(CC(F)F)CC1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000673876607 1073843765 /nfs/dbraw/zinc/84/37/65/1073843765.db2.gz HDDIZQPGKXQYIG-PKOBYXMFSA-N 0 3 410.509 1.898 20 0 HDADHN C[C@H](N[C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000543497602 1073849796 /nfs/dbraw/zinc/84/97/96/1073849796.db2.gz UKPWQVLBOOMISB-KSSFIOAISA-N 0 3 424.567 1.678 20 0 HDADHN CN(C)c1nc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cs1 ZINC000673882193 1073853838 /nfs/dbraw/zinc/85/38/38/1073853838.db2.gz YAKPYAUCMZUSEY-AEFFLSMTSA-N 0 3 403.552 1.891 20 0 HDADHN COc1cc(OC)cc(N2CC[C@H](N3CCCN(C[C@@H]4CCCO4)CC3)C2=O)c1 ZINC000673914960 1073887163 /nfs/dbraw/zinc/88/71/63/1073887163.db2.gz JKFCAKDQXKEYQO-RXVVDRJESA-N 0 3 403.523 1.996 20 0 HDADHN Cc1c(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)nnn1-c1cccc2c1CCN(C)C2 ZINC000673935784 1073907820 /nfs/dbraw/zinc/90/78/20/1073907820.db2.gz STWPMLPTSISQIT-IFMALSPDSA-N 0 3 403.486 1.952 20 0 HDADHN C[C@@H]1CN(C[C@@H](O)CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000484452971 1074011300 /nfs/dbraw/zinc/01/13/00/1074011300.db2.gz NXQUIFGALMYAOP-UEXGIBASSA-N 0 3 407.530 1.373 20 0 HDADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1 ZINC000543532420 1074025118 /nfs/dbraw/zinc/02/51/18/1074025118.db2.gz VOZNVZLFVNDWSG-MRXNPFEDSA-N 0 3 412.494 1.209 20 0 HDADHN CNC(=O)N[C@@H]1CCN(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000466594055 1074049063 /nfs/dbraw/zinc/04/90/63/1074049063.db2.gz WPNLUMKVDHYFCM-RTBURBONSA-N 0 3 402.543 1.078 20 0 HDADHN COc1ccc(CN2CCN(C(=O)CN3CCC[C@H](C(=O)N(C)C)C3)CC2)cc1 ZINC000110737141 1074114154 /nfs/dbraw/zinc/11/41/54/1074114154.db2.gz WWPSYFCZFVTYEL-IBGZPJMESA-N 0 3 402.539 1.140 20 0 HDADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000674040034 1074123693 /nfs/dbraw/zinc/12/36/93/1074123693.db2.gz XIEBVODYZCTJDX-QGZVFWFLSA-N 0 3 423.517 1.489 20 0 HDADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000674040000 1074123742 /nfs/dbraw/zinc/12/37/42/1074123742.db2.gz HTCJAQRAQWCYCJ-KSSFIOAISA-N 0 3 412.494 1.039 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cn2ccc(Br)cc2n1 ZINC000509211869 1074131668 /nfs/dbraw/zinc/13/16/68/1074131668.db2.gz PQEAVVRQQQHFAM-OAHLLOKOSA-N 0 3 422.327 1.769 20 0 HDADHN CNc1nc(NC[C@]2(C)CCO[C@@H]2C2CC2)nc(NC[C@]2(C)CCO[C@H]2C2CC2)n1 ZINC000466622122 1074143019 /nfs/dbraw/zinc/14/30/19/1074143019.db2.gz XGQYYHAKZQSQFG-YVCBRDFCSA-N 0 3 416.570 1.413 20 0 HDADHN CCN1CCN(c2ccccc2NC(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)CC1 ZINC000543574286 1074151252 /nfs/dbraw/zinc/15/12/52/1074151252.db2.gz QTCKDTNPVPNMFR-UHFFFAOYSA-N 0 3 412.542 1.605 20 0 HDADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000674157507 1074194965 /nfs/dbraw/zinc/19/49/65/1074194965.db2.gz FVWIUOOSQFXQRW-MOPGFXCFSA-N 0 3 408.568 1.937 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)c1ccncc1 ZINC000674231105 1074236330 /nfs/dbraw/zinc/23/63/30/1074236330.db2.gz WJRRADBGOVYABG-MRXNPFEDSA-N 0 3 423.517 1.637 20 0 HDADHN COC1CCN(CCNC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000674324254 1074273731 /nfs/dbraw/zinc/27/37/31/1074273731.db2.gz QJTIWNCIWBPKIO-QGZVFWFLSA-N 0 3 403.479 1.038 20 0 HDADHN COC1CCN(CCNC(=O)[C@H](NC(=O)NCc2ccc(F)cc2)C(C)C)CC1 ZINC000674324557 1074274810 /nfs/dbraw/zinc/27/48/10/1074274810.db2.gz QHCNFSOQRIGXCW-LJQANCHMSA-N 0 3 408.518 1.877 20 0 HDADHN COC1CCN(CCNC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000674325578 1074275229 /nfs/dbraw/zinc/27/52/29/1074275229.db2.gz XUPRYSOJKCYTBJ-UHFFFAOYSA-N 0 3 419.547 1.735 20 0 HDADHN COC1CCN(CCNC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000674333004 1074286709 /nfs/dbraw/zinc/28/67/09/1074286709.db2.gz RQMAHPYOSURXCZ-MISYRCLQSA-N 0 3 400.523 1.553 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@@H]2CN[C@H](C(N)=O)c2ccc(Br)cc2)C1=O ZINC000674412840 1074313967 /nfs/dbraw/zinc/31/39/67/1074313967.db2.gz TTWZWNSTZXBWJC-ZUCKAHLUSA-N 0 3 409.284 1.286 20 0 HDADHN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN[C@@H]1Cc2cccc(O)c2C1 ZINC000429229573 1074319413 /nfs/dbraw/zinc/31/94/13/1074319413.db2.gz WKFQNGQQYISKAH-SWLSCSKDSA-N 0 3 401.488 1.074 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1=O ZINC000674433615 1074332566 /nfs/dbraw/zinc/33/25/66/1074332566.db2.gz OOWNNBBYECCFBN-HMFYCAOWSA-N 0 3 413.522 1.671 20 0 HDADHN CC(C)N1CCN(c2ccc(C(=O)N(C)CCN3CCCS3(=O)=O)cc2)CC1 ZINC000674503487 1074400031 /nfs/dbraw/zinc/40/00/31/1074400031.db2.gz XOVQDFGOMOAZEO-UHFFFAOYSA-N 0 3 408.568 1.325 20 0 HDADHN Cc1ccc([C@H](CNC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)N2CCCC2)cc1 ZINC001626102710 1074424828 /nfs/dbraw/zinc/42/48/28/1074424828.db2.gz RATZNKBJDCTAHS-SFHVURJKSA-N 0 3 417.535 1.393 20 0 HDADHN CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)Cc1ccccc1 ZINC000674609863 1074478419 /nfs/dbraw/zinc/47/84/19/1074478419.db2.gz ZWBIHTMGUUOKDD-FIKGOQFSSA-N 0 3 401.511 1.179 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCC2(N3CCSCC3)CCCC2)C1=O ZINC000674614665 1074485272 /nfs/dbraw/zinc/48/52/72/1074485272.db2.gz FCXBXNOGVDDZDI-YWZLYKJASA-N 0 3 423.583 1.368 20 0 HDADHN CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)N(C)C)cc1 ZINC000674615015 1074485336 /nfs/dbraw/zinc/48/53/36/1074485336.db2.gz DAWTZWFRGJKMRC-SPEDKVCISA-N 0 3 415.538 1.871 20 0 HDADHN C[C@@H](C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000674668984 1074519658 /nfs/dbraw/zinc/51/96/58/1074519658.db2.gz IGIGGPNUVQDDHR-QAPCUYQASA-N 0 3 409.552 1.253 20 0 HDADHN COc1ccc(NC(=O)NCCN2CCC(OC)CC2)cc1-n1nnnc1C1CC1 ZINC000674698634 1074527605 /nfs/dbraw/zinc/52/76/05/1074527605.db2.gz PJSLZOIBLKBLBR-UHFFFAOYSA-N 0 3 415.498 1.781 20 0 HDADHN C[C@@H]1CN(CCCCNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)C[C@@H](C)O1 ZINC000674732831 1074543742 /nfs/dbraw/zinc/54/37/42/1074543742.db2.gz RTPPRIQQADZZDH-IAGOWNOFSA-N 0 3 411.568 1.398 20 0 HDADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000674764246 1074558024 /nfs/dbraw/zinc/55/80/24/1074558024.db2.gz SPJREUNKHOMPAL-GOSISDBHSA-N 0 3 405.462 1.334 20 0 HDADHN O=S(=O)(CCN[C@@H]1CCN(c2ccccc2)C1)N1CCN(c2ccccn2)CC1 ZINC000674879930 1074600592 /nfs/dbraw/zinc/60/05/92/1074600592.db2.gz LSCDBGYXUNARHM-LJQANCHMSA-N 0 3 415.563 1.402 20 0 HDADHN COCCN(C)CCOc1cccc(CNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000674922681 1074623110 /nfs/dbraw/zinc/62/31/10/1074623110.db2.gz PUDGCXXZQDEJMM-SFTDATJTSA-N 0 3 421.538 1.733 20 0 HDADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000674916900 1074627403 /nfs/dbraw/zinc/62/74/03/1074627403.db2.gz GXAMURUBFUDOHN-YADHBBJMSA-N 0 3 416.566 1.784 20 0 HDADHN COC(=O)C1CCN(CCCNc2nn3c(nnc3C(F)(F)F)c(C)c2C)CC1 ZINC000546180216 1074693991 /nfs/dbraw/zinc/69/39/91/1074693991.db2.gz QVIIFJPQAIYARX-UHFFFAOYSA-N 0 3 414.432 2.447 20 0 HDADHN COCCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000675112711 1074717621 /nfs/dbraw/zinc/71/76/21/1074717621.db2.gz SLOZODRAYHMGDI-FXAWDEMLSA-N 0 3 402.539 1.834 20 0 HDADHN COC(=O)CCc1nnc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)s1 ZINC000462662172 1074727410 /nfs/dbraw/zinc/72/74/10/1074727410.db2.gz NNRSWRUKSBXMTC-DZGCQCFKSA-N 0 3 403.508 2.286 20 0 HDADHN O=C1c2ccc(Br)cc2C(=O)N1CN1CCN(C2CCOCC2)CC1 ZINC000766094866 1074745462 /nfs/dbraw/zinc/74/54/62/1074745462.db2.gz MIEVAZMYUNFMBG-UHFFFAOYSA-N 0 3 408.296 1.799 20 0 HDADHN Cc1cc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)nn1C1CCCCC1 ZINC000578823118 1074763750 /nfs/dbraw/zinc/76/37/50/1074763750.db2.gz ICJNVIXNJGUHAF-INIZCTEOSA-N 0 3 404.559 1.777 20 0 HDADHN CN(C)CCN1C[C@@H](C(=O)N2CCc3c(F)cc(Br)cc3C2)CC1=O ZINC000675237551 1074769007 /nfs/dbraw/zinc/76/90/07/1074769007.db2.gz GAMUPHLACACQRY-ZDUSSCGKSA-N 0 3 412.303 1.883 20 0 HDADHN Cc1cc(NC(=O)C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)nn1C ZINC000555276480 1074796859 /nfs/dbraw/zinc/79/68/59/1074796859.db2.gz YAABQRSFOGUFGN-KRWDZBQOSA-N 0 3 407.478 1.949 20 0 HDADHN CC(C)CN1CCO[C@H](CNC(=O)CN2CCC3(CC2)OCc2ccccc23)C1 ZINC000675325857 1074807532 /nfs/dbraw/zinc/80/75/32/1074807532.db2.gz SHYVUNXCKHVXGS-HXUWFJFHSA-N 0 3 401.551 1.981 20 0 HDADHN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429333373 1074819719 /nfs/dbraw/zinc/81/97/19/1074819719.db2.gz YTAXDWBRRSJGAZ-ZWKOTPCHSA-N 0 3 411.568 1.358 20 0 HDADHN Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(CN(C)C)cc3)CC2)no1 ZINC000432862166 1074821831 /nfs/dbraw/zinc/82/18/31/1074821831.db2.gz YLPVXXDERFVRME-UHFFFAOYSA-N 0 3 406.508 2.084 20 0 HDADHN CN(C)CCN(C)C(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000675367967 1074822095 /nfs/dbraw/zinc/82/20/95/1074822095.db2.gz GOIRDTCNULOQAA-ZDUSSCGKSA-N 0 3 401.294 1.235 20 0 HDADHN Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429337300 1075102669 /nfs/dbraw/zinc/10/26/69/1075102669.db2.gz XWZQMULDEKKPJR-SFHVURJKSA-N 0 3 409.490 1.281 20 0 HDADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000675403213 1075127165 /nfs/dbraw/zinc/12/71/65/1075127165.db2.gz CARYXPFQRNGJNC-SUMWQHHRSA-N 0 3 424.904 1.691 20 0 HDADHN COCC1(CNc2cc(NCC3(COC)CCOCC3)nc(C)n2)CCOCC1 ZINC000555542027 1075132153 /nfs/dbraw/zinc/13/21/53/1075132153.db2.gz DYWFAJJVMHTSNE-UHFFFAOYSA-N 0 3 408.543 2.495 20 0 HDADHN CC[C@]1(C)NC(=O)N(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1=O ZINC000429345346 1075145201 /nfs/dbraw/zinc/14/52/01/1075145201.db2.gz CNBNTELRQQOLCY-UTKZUKDTSA-N 0 3 402.495 1.114 20 0 HDADHN C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1cccc(-n2cccn2)c1 ZINC000466679472 1075157756 /nfs/dbraw/zinc/15/77/56/1075157756.db2.gz AHVNWVQRNRLPLQ-GOSISDBHSA-N 0 3 410.522 1.883 20 0 HDADHN O=C(NCCn1c(=O)[nH]c2ccccc21)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000429348405 1075160077 /nfs/dbraw/zinc/16/00/77/1075160077.db2.gz JSSMICQWHFHXCV-RBUKOAKNSA-N 0 3 423.517 1.924 20 0 HDADHN CSC[C@@H](CCO)N[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766140703 1075163718 /nfs/dbraw/zinc/16/37/18/1075163718.db2.gz RXWCGEKAHCXNEF-TZMCWYRMSA-N 0 3 410.583 1.177 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)c2ccccc2O1 ZINC000675489797 1075174987 /nfs/dbraw/zinc/17/49/87/1075174987.db2.gz JIRFDLAQDNYHDP-INIZCTEOSA-N 0 3 405.458 1.941 20 0 HDADHN Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000675496922 1075177385 /nfs/dbraw/zinc/17/73/85/1075177385.db2.gz YMTIXTIPIAHLPV-QGZVFWFLSA-N 0 3 417.489 1.235 20 0 HDADHN CN(Cc1ccccc1)[C@@H]1CCN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000675497431 1075178917 /nfs/dbraw/zinc/17/89/17/1075178917.db2.gz HNXFDYKCVNSJNX-GOSISDBHSA-N 0 3 409.469 1.946 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000675511039 1075189723 /nfs/dbraw/zinc/18/97/23/1075189723.db2.gz AMIVSBGGODBGCL-INIZCTEOSA-N 0 3 403.504 1.711 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)Cc2cccc(NS(C)(=O)=O)c2)c2ccccc2O1 ZINC000675511441 1075189739 /nfs/dbraw/zinc/18/97/39/1075189739.db2.gz IILCDMFHNNBYKW-KRWDZBQOSA-N 0 3 403.504 1.956 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)Cc2cccc(NS(C)(=O)=O)c2)c2ccccc2O1 ZINC000675511442 1075189793 /nfs/dbraw/zinc/18/97/93/1075189793.db2.gz IILCDMFHNNBYKW-QGZVFWFLSA-N 0 3 403.504 1.956 20 0 HDADHN CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1 ZINC000675512232 1075190418 /nfs/dbraw/zinc/19/04/18/1075190418.db2.gz JIQBJTHVROHTEC-INIZCTEOSA-N 0 3 403.504 1.954 20 0 HDADHN CC(C)C[C@H](C(=O)NC1CCN([C@H]2CCOC2)CC1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000675537448 1075193831 /nfs/dbraw/zinc/19/38/31/1075193831.db2.gz AEHBMUNCQGDVHR-VNTMZGSJSA-N 0 3 417.550 1.722 20 0 HDADHN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC1CCN([C@H]3CCOC3)CC1)C2=O ZINC000675537182 1075194227 /nfs/dbraw/zinc/19/42/27/1075194227.db2.gz YKQSRFFOBIMIEZ-ULYRPOKDSA-N 0 3 420.554 1.493 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000675537467 1075194606 /nfs/dbraw/zinc/19/46/06/1075194606.db2.gz AWNVHDQUDGUSIO-QAPCUYQASA-N 0 3 415.490 1.180 20 0 HDADHN C[C@H](C(=O)NC1CCN([C@H]2CCOC2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000675538044 1075194984 /nfs/dbraw/zinc/19/49/84/1075194984.db2.gz PZQUUNUASKNUOH-UTKZUKDTSA-N 0 3 404.530 1.706 20 0 HDADHN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000675538093 1075195214 /nfs/dbraw/zinc/19/52/14/1075195214.db2.gz COFNPQWLIYVSFZ-SFHVURJKSA-N 0 3 409.552 1.699 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000675539171 1075195658 /nfs/dbraw/zinc/19/56/58/1075195658.db2.gz YGJORYAPJFNUPY-IEBWSBKVSA-N 0 3 421.563 1.457 20 0 HDADHN O=C(CCNS(=O)(=O)c1ccccc1Cl)NC1CCN([C@H]2CCOC2)CC1 ZINC000675539103 1075196023 /nfs/dbraw/zinc/19/60/23/1075196023.db2.gz UWVCZASQKWVUOK-HNNXBMFYSA-N 0 3 415.943 1.378 20 0 HDADHN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000675541680 1075198179 /nfs/dbraw/zinc/19/81/79/1075198179.db2.gz ZYINOHXIPMKZLY-OALUTQOASA-N 0 3 402.474 1.274 20 0 HDADHN O=C(NCCn1c(=O)[nH]c2ccccc21)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000429357863 1075199779 /nfs/dbraw/zinc/19/97/79/1075199779.db2.gz XNHPUQXHABXWCC-QFIPXVFZSA-N 0 3 409.490 1.678 20 0 HDADHN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)no1 ZINC000531583177 1075205880 /nfs/dbraw/zinc/20/58/80/1075205880.db2.gz HVTMPLLKHUVGRE-IAGOWNOFSA-N 0 3 423.583 1.670 20 0 HDADHN CN(C(=O)NCc1cc(S(N)(=O)=O)ccc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000675576400 1075209723 /nfs/dbraw/zinc/20/97/23/1075209723.db2.gz KYOOOPNZRIAUFO-KRWDZBQOSA-N 0 3 420.510 1.889 20 0 HDADHN COC(=O)c1cc(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)ccn1 ZINC000429361754 1075211816 /nfs/dbraw/zinc/21/18/16/1075211816.db2.gz FRLLBNXTXFMWKS-UHFFFAOYSA-N 0 3 410.474 1.624 20 0 HDADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)n(-c2ccc(F)cc2F)n1 ZINC000562894769 1075226867 /nfs/dbraw/zinc/22/68/67/1075226867.db2.gz FMHUXFPAGAYQRF-OAHLLOKOSA-N 0 3 405.449 2.388 20 0 HDADHN CCN1CCN(Cc2ccc(CNc3ccc(S(=O)(=O)NC)cn3)cc2)CC1 ZINC000486966462 1075232886 /nfs/dbraw/zinc/23/28/86/1075232886.db2.gz LMBAEEVTXJPYMC-UHFFFAOYSA-N 0 3 403.552 1.739 20 0 HDADHN Cc1ccc2ncccc2c1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000675760213 1075265790 /nfs/dbraw/zinc/26/57/90/1075265790.db2.gz OYTAKILRQVGBGC-GOSISDBHSA-N 0 3 402.520 1.470 20 0 HDADHN C[C@@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1cccc(-n2cnnn2)c1 ZINC000675813953 1075275725 /nfs/dbraw/zinc/27/57/25/1075275725.db2.gz STPIRGASXOBLDQ-OAHLLOKOSA-N 0 3 406.494 1.610 20 0 HDADHN COC(=O)[C@H]1CCN(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)[C@H]1C(C)C ZINC000429381948 1075287007 /nfs/dbraw/zinc/28/70/07/1075287007.db2.gz NZAYDOBNIDHRBI-ICSRJNTNSA-N 0 3 416.522 1.882 20 0 HDADHN COCCNS(=O)(=O)c1cccc(CN[C@@H](C)c2cccc(-n3cnnn3)c2)c1 ZINC000675890425 1075287125 /nfs/dbraw/zinc/28/71/25/1075287125.db2.gz MGQDPQSGCNSUGK-HNNXBMFYSA-N 0 3 416.507 1.438 20 0 HDADHN CC(C)N1CC[C@@H](N2CCC3(C2)CCN(C(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)CC3)C1=O ZINC001035207592 1075288673 /nfs/dbraw/zinc/28/86/73/1075288673.db2.gz XMMIHAROEZICRV-FZWBFHRNSA-N 0 3 401.551 1.734 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2noc(-c3cccs3)n2)CC1 ZINC000675967249 1075311454 /nfs/dbraw/zinc/31/14/54/1075311454.db2.gz CZKAIFYIALNFTH-ZDUSSCGKSA-N 0 3 404.496 1.246 20 0 HDADHN CS(=O)(=O)NC1(CNC(=O)N2CCN(C3CCCCC3)CC2)CCCCC1 ZINC000675954301 1075313501 /nfs/dbraw/zinc/31/35/01/1075313501.db2.gz YKNBHIHWCBAFIH-UHFFFAOYSA-N 0 3 400.589 1.898 20 0 HDADHN CC(C)CN1CCO[C@H](CNC(=O)COC(=O)c2ccc3c(C=O)[nH]nc3c2)C1 ZINC000766191007 1075324266 /nfs/dbraw/zinc/32/42/66/1075324266.db2.gz XIWQBDQFWUSCIR-OAHLLOKOSA-N 0 3 402.451 1.005 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000731401002 1075330041 /nfs/dbraw/zinc/33/00/41/1075330041.db2.gz IUJLQAOWHSFRMX-FGTMMUONSA-N 0 3 423.535 1.624 20 0 HDADHN Cc1c(C(=O)N2CCS[C@H]3COCC[C@H]32)nnn1-c1cccc2c1CCN(C)C2 ZINC000676072613 1075342998 /nfs/dbraw/zinc/34/29/98/1075342998.db2.gz NFTFUZBDKVTPEG-MOPGFXCFSA-N 0 3 413.547 1.910 20 0 HDADHN Cc1ccccc1[C@H](CN1CCOCC1)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000676075688 1075343338 /nfs/dbraw/zinc/34/33/38/1075343338.db2.gz JYKFUTFJMQSKFB-FPOVZHCZSA-N 0 3 424.611 1.619 20 0 HDADHN Cc1c(C(=O)N(C)Cc2cccc(C(N)=O)c2)nnn1-c1cccc2c1CCN(C)C2 ZINC000731461090 1075355956 /nfs/dbraw/zinc/35/59/56/1075355956.db2.gz IMPAMLJPTPVNRD-UHFFFAOYSA-N 0 3 418.501 1.935 20 0 HDADHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(CCNS(C)(=O)=O)s2)C1 ZINC000731467776 1075358162 /nfs/dbraw/zinc/35/81/62/1075358162.db2.gz BFOUQGDEBDUINE-OAHLLOKOSA-N 0 3 407.561 1.973 20 0 HDADHN O=C(NCc1nnc(-c2ccc(F)cc2)[nH]1)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000676096102 1075358384 /nfs/dbraw/zinc/35/83/84/1075358384.db2.gz STTFLCVVAPNDBD-UHFFFAOYSA-N 0 3 406.381 1.446 20 0 HDADHN Cc1c(C(=O)Oc2ccc(-n3cnnn3)cc2)nnn1-c1cccc2c1CCN(C)C2 ZINC000731458104 1075364649 /nfs/dbraw/zinc/36/46/49/1075364649.db2.gz LBKVGHUZEZPEPZ-UHFFFAOYSA-N 0 3 416.445 1.759 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1)N1CCc2ccccc2C1 ZINC000676088519 1075371660 /nfs/dbraw/zinc/37/16/60/1075371660.db2.gz BAZREVBQWKBNJL-INIZCTEOSA-N 0 3 404.474 1.769 20 0 HDADHN COc1ccc(Cn2ccc(NC(=O)C(=O)NCCN3CCCC(C)(C)C3)n2)cc1 ZINC000447428098 1075399794 /nfs/dbraw/zinc/39/97/94/1075399794.db2.gz VVVNLIVCFLWPKV-UHFFFAOYSA-N 0 3 413.522 2.117 20 0 HDADHN COc1ccc(NC(=O)C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)nn1 ZINC000582657038 1075429600 /nfs/dbraw/zinc/42/96/00/1075429600.db2.gz XTFHRTHHOIGVFR-KRWDZBQOSA-N 0 3 411.506 2.013 20 0 HDADHN C[C@@]1(n2cc(CN[C@H](CO)Cc3c[nH]c4ccccc34)cn2)CCS(=O)(=O)C1 ZINC000676199564 1075434060 /nfs/dbraw/zinc/43/40/60/1075434060.db2.gz ILVATBNHFWKHNL-FXAWDEMLSA-N 0 3 402.520 1.591 20 0 HDADHN C[C@@H](NC(=O)NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CN(C)CCO1 ZINC000676243048 1075444187 /nfs/dbraw/zinc/44/41/87/1075444187.db2.gz GSQPAOCAUOWYSU-TZIWHRDSSA-N 0 3 403.571 1.213 20 0 HDADHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000731683658 1075468280 /nfs/dbraw/zinc/46/82/80/1075468280.db2.gz IJDWWFKDPAPEKQ-PXNSSMCTSA-N 0 3 422.595 1.630 20 0 HDADHN CN(C(=O)NCCC(=O)N1CCN(C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470737438 1075480655 /nfs/dbraw/zinc/48/06/55/1075480655.db2.gz ONMFEAGSFFNUJX-FQEVSTJZSA-N 0 3 401.555 1.457 20 0 HDADHN CN(C)C(=O)CN1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000676295617 1075499311 /nfs/dbraw/zinc/49/93/11/1075499311.db2.gz RAHQPFYEUKEJBK-FQEVSTJZSA-N 0 3 401.555 1.629 20 0 HDADHN CC(C)c1nnc(NC(=O)CCC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)s1 ZINC000676300448 1075501445 /nfs/dbraw/zinc/50/14/45/1075501445.db2.gz BACSJWLVUVXZTM-CQSZACIVSA-N 0 3 422.555 1.321 20 0 HDADHN CCN1C(=O)N=NC1C1CCN(C[C@@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000676342042 1075514813 /nfs/dbraw/zinc/51/48/13/1075514813.db2.gz GPHGELVODBNYOA-QGZVFWFLSA-N 0 3 403.483 1.581 20 0 HDADHN Cc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1C ZINC000676341617 1075515141 /nfs/dbraw/zinc/51/51/41/1075515141.db2.gz AWBSEGZXMIHWKL-GOSISDBHSA-N 0 3 409.552 1.293 20 0 HDADHN O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000676345180 1075517862 /nfs/dbraw/zinc/51/78/62/1075517862.db2.gz LRHFYXUSZALGSM-WIYYLYMNSA-N 0 3 417.525 1.976 20 0 HDADHN C[C@H](C(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000676344632 1075518322 /nfs/dbraw/zinc/51/83/22/1075518322.db2.gz PYLGDJLWGVNIIR-YJBOKZPZSA-N 0 3 409.552 1.410 20 0 HDADHN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1 ZINC000543672304 1075525079 /nfs/dbraw/zinc/52/50/79/1075525079.db2.gz AGDSDRLVDULQFK-ZDUSSCGKSA-N 0 3 412.508 1.611 20 0 HDADHN CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000731851208 1075533046 /nfs/dbraw/zinc/53/30/46/1075533046.db2.gz LYUIMKJIMFNPDM-OAHLLOKOSA-N 0 3 404.554 1.215 20 0 HDADHN COc1ccc(C(=O)CNC(=O)CCC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000676392775 1075541162 /nfs/dbraw/zinc/54/11/62/1075541162.db2.gz IUPMYSINMLLCJI-GOSISDBHSA-N 0 3 417.506 1.144 20 0 HDADHN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000676393540 1075541458 /nfs/dbraw/zinc/54/14/58/1075541458.db2.gz PSELOBCVPFKNFD-KRWDZBQOSA-N 0 3 415.515 1.718 20 0 HDADHN O=C(CCN1CCC[C@@H]1[C@H](O)C(F)(F)F)NN1C(=O)NC2(CCCCC2)C1=O ZINC000731842901 1075548013 /nfs/dbraw/zinc/54/80/13/1075548013.db2.gz JYXNYMQWCJNYLH-YPMHNXCESA-N 0 3 406.405 1.050 20 0 HDADHN CCC[NH+]1CCC(NC(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)CC1 ZINC000731892149 1075557911 /nfs/dbraw/zinc/55/79/11/1075557911.db2.gz VJGDXCJWVUJONH-ZDUSSCGKSA-N 0 3 402.948 1.783 20 0 HDADHN O=C(NCCCn1cncn1)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000676451737 1075557875 /nfs/dbraw/zinc/55/78/75/1075557875.db2.gz RAHIUOQEPQHYJR-SFHVURJKSA-N 0 3 422.493 1.067 20 0 HDADHN C[C@@H](CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000731897734 1075561499 /nfs/dbraw/zinc/56/14/99/1075561499.db2.gz ZMVXJODVLLOVOP-LSDHHAIUSA-N 0 3 414.959 1.879 20 0 HDADHN CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)CCO2 ZINC000676523256 1075574017 /nfs/dbraw/zinc/57/40/17/1075574017.db2.gz WRCLCIMUPTUHJV-MJGOQNOKSA-N 0 3 419.522 1.594 20 0 HDADHN CC(C)(C)OC(=O)Nc1ncc(CN[C@@H]2CCN(CCN3CCOCC3)C2)s1 ZINC000800239578 1075575616 /nfs/dbraw/zinc/57/56/16/1075575616.db2.gz SCWAMHDPRZPQAE-OAHLLOKOSA-N 0 3 411.572 1.986 20 0 HDADHN CN(C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676546003 1075591533 /nfs/dbraw/zinc/59/15/33/1075591533.db2.gz BKSQRHCGEOHTTC-UHFFFAOYSA-N 0 3 406.490 1.855 20 0 HDADHN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCc2ccccc2CN2CCC(O)CC2)CC1=O ZINC000429452322 1075607913 /nfs/dbraw/zinc/60/79/13/1075607913.db2.gz YQTHWUCVZFBLEK-XFQXTVEOSA-N 0 3 400.523 1.452 20 0 HDADHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CC1=O ZINC000429456777 1075625383 /nfs/dbraw/zinc/62/53/83/1075625383.db2.gz XUPNNHMJEKQMDC-XLSIIYIISA-N 0 3 400.523 1.178 20 0 HDADHN O=C(CSc1cccc[n+]1[O-])NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000732113180 1075635533 /nfs/dbraw/zinc/63/55/33/1075635533.db2.gz NISITETZCIHSJZ-UHFFFAOYSA-N 0 3 414.531 1.554 20 0 HDADHN CN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)[C@@H]1CCN(C2CC2)C1 ZINC000732214747 1075669874 /nfs/dbraw/zinc/66/98/74/1075669874.db2.gz VKJGAGJTZXBOMR-XMSQKQJNSA-N 0 3 413.522 1.129 20 0 HDADHN C[C@@H]1CCc2c(sc3nc(CCN4CCC(C(=O)NCCO)CC4)nc(N)c32)C1 ZINC000732198616 1075674330 /nfs/dbraw/zinc/67/43/30/1075674330.db2.gz ZBVYSYHJRDTGFA-CYBMUJFWSA-N 0 3 417.579 1.761 20 0 HDADHN Cc1cccc(Cn2[nH]ccc2=NC(=O)CN2CCN(C[C@@H]3CCCCN3C)CC2)c1 ZINC000732202333 1075675054 /nfs/dbraw/zinc/67/50/54/1075675054.db2.gz ZJHHUMFBZFUJAG-QFIPXVFZSA-N 0 3 424.593 1.702 20 0 HDADHN Cc1nc(CN2CCC(CNC(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)oc1C ZINC000732257544 1075688752 /nfs/dbraw/zinc/68/87/52/1075688752.db2.gz SATGTFFFDUYXNG-RTBURBONSA-N 0 3 405.543 1.666 20 0 HDADHN CN(C)C1(CNC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)Cc2ccccc2C1 ZINC000446734942 1075717892 /nfs/dbraw/zinc/71/78/92/1075717892.db2.gz NHSQKQSNFHSJTQ-UHFFFAOYSA-N 0 3 409.412 1.599 20 0 HDADHN C[C@H]1C[C@H](NC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)CN1C1CC1 ZINC000486216731 1075722351 /nfs/dbraw/zinc/72/23/51/1075722351.db2.gz BZTGPDKSILGTJG-HOTGVXAUSA-N 0 3 409.538 1.664 20 0 HDADHN CN1CC[C@@H]2CCN(C(=O)NC[C@H]3CCN(S(=O)(=O)c4cccs4)C3)[C@H]2C1 ZINC000509258847 1075728965 /nfs/dbraw/zinc/72/89/65/1075728965.db2.gz POHXPVIOYXIMJD-OAGGEKHMSA-N 0 3 412.581 1.494 20 0 HDADHN CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000530584191 1075742377 /nfs/dbraw/zinc/74/23/77/1075742377.db2.gz AUXSBMPPUNBUFY-UHFFFAOYSA-N 0 3 411.462 1.802 20 0 HDADHN CN1CCN(CCCCNC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)CC1 ZINC000732430770 1075743516 /nfs/dbraw/zinc/74/35/16/1075743516.db2.gz MAQAGDXMZRPYHS-UHFFFAOYSA-N 0 3 412.556 1.259 20 0 HDADHN CN1CCN(Cc2ccc(CNC(=O)N3CCCC[C@H]3C3OCCO3)cc2)CC1 ZINC000732445015 1075746516 /nfs/dbraw/zinc/74/65/16/1075746516.db2.gz WLJZBFWEUYDJIM-FQEVSTJZSA-N 0 3 402.539 1.871 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000732467838 1075755445 /nfs/dbraw/zinc/75/54/45/1075755445.db2.gz YUURVYZRHDDLRP-NJDAHSKKSA-N 0 3 402.539 1.092 20 0 HDADHN Nc1nsc(N2CCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)CC2)n1 ZINC000494425157 1075768405 /nfs/dbraw/zinc/76/84/05/1075768405.db2.gz KEQCOUTYRQYAEM-MRXNPFEDSA-N 0 3 401.540 1.617 20 0 HDADHN COCCOC(=O)c1sc2[n-]c(CN3CCC(C[NH+](C)C)CC3)nc(=O)c2c1C ZINC000732569535 1075790602 /nfs/dbraw/zinc/79/06/02/1075790602.db2.gz PTBJBDVMWOZNSJ-UHFFFAOYSA-N 0 3 422.551 1.870 20 0 HDADHN CC1CCN(S(=O)(=O)Cc2ccccc2CNC2CCS(=O)(=O)CC2)CC1 ZINC000463282256 1075801941 /nfs/dbraw/zinc/80/19/41/1075801941.db2.gz RBJBXPDNQWSMEN-UHFFFAOYSA-N 0 3 414.593 1.915 20 0 HDADHN CC(C)C1CCC(N2CCN(C(=O)C(=O)Nc3ccn(-c4ccncc4)n3)CC2)CC1 ZINC000440476855 1075803317 /nfs/dbraw/zinc/80/33/17/1075803317.db2.gz JRMMTYLNOZCBLZ-UHFFFAOYSA-N 0 3 424.549 2.565 20 0 HDADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@@H]3c3nc(C)no3)c2)CC1 ZINC000509286230 1075835990 /nfs/dbraw/zinc/83/59/90/1075835990.db2.gz LEYVLZDDBYRJJM-GOSISDBHSA-N 0 3 412.494 1.822 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000732703799 1075838042 /nfs/dbraw/zinc/83/80/42/1075838042.db2.gz LAQMNAFFMKXLOD-AQNXPRMDSA-N 0 3 422.957 1.564 20 0 HDADHN CS[C@H]1CN(C(=O)[C@@H](NS(=O)(=O)c2ccccc2F)C(C)C)C[C@@H]1N(C)C ZINC000611165453 1075865536 /nfs/dbraw/zinc/86/55/36/1075865536.db2.gz OWHJBSHTVKEOID-ZOBUZTSGSA-N 0 3 417.572 1.633 20 0 HDADHN COC(=O)c1ccc(S(=O)(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)cc1C ZINC000611167712 1075866000 /nfs/dbraw/zinc/86/60/00/1075866000.db2.gz DYDHYERROXBHNL-UHFFFAOYSA-N 0 3 423.579 1.961 20 0 HDADHN CCOC(=O)CNC(=O)C1CCN(Cc2c[nH]nc2-c2cccc(OC)c2)CC1 ZINC000611287303 1075892895 /nfs/dbraw/zinc/89/28/95/1075892895.db2.gz LQUODNDDULHDAO-UHFFFAOYSA-N 0 3 400.479 1.977 20 0 HDADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](O)c3ccccc3C)cc2)CC1 ZINC000732896401 1075897503 /nfs/dbraw/zinc/89/75/03/1075897503.db2.gz FXXVMBAHMYQFAN-QFIPXVFZSA-N 0 3 424.545 1.921 20 0 HDADHN COC(=O)C(C)(C)[C@H]1CCCN([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000611322319 1075900452 /nfs/dbraw/zinc/90/04/52/1075900452.db2.gz PPUJFEPFHQILGG-SJORKVTESA-N 0 3 403.527 1.425 20 0 HDADHN CS[C@@H]1CN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)C[C@@H]1N(C)C ZINC000611331348 1075908813 /nfs/dbraw/zinc/90/88/13/1075908813.db2.gz IASZNLIQSWHCDN-DTWKUNHWSA-N 0 3 416.416 1.949 20 0 HDADHN CC1CCN([C@@H](CNC(=O)N(CCO)CCN2CCOCC2)c2cccs2)CC1 ZINC000489809158 1075932530 /nfs/dbraw/zinc/93/25/30/1075932530.db2.gz OAAJIVVPHXLUIH-IBGZPJMESA-N 0 3 424.611 1.857 20 0 HDADHN O=C(NC1CC1)[C@H](NCC1CCN(S(=O)(=O)C(F)F)CC1)c1ccccc1 ZINC000732987101 1075940040 /nfs/dbraw/zinc/94/00/40/1075940040.db2.gz SDCVZJFNLUTGNH-MRXNPFEDSA-N 0 3 401.479 1.860 20 0 HDADHN CC(C)OC(=O)N1CCC(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000733040437 1075962517 /nfs/dbraw/zinc/96/25/17/1075962517.db2.gz NMQKOMHJNCUQIQ-QGZVFWFLSA-N 0 3 411.547 1.238 20 0 HDADHN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000733150785 1075985838 /nfs/dbraw/zinc/98/58/38/1075985838.db2.gz UYRSWUJEAPPSLF-INIZCTEOSA-N 0 3 403.527 1.380 20 0 HDADHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000733158431 1075991503 /nfs/dbraw/zinc/99/15/03/1075991503.db2.gz MWDVBVBFZVSCLQ-MRXNPFEDSA-N 0 3 411.524 1.437 20 0 HDADHN CCN1CCN(CCNC(=O)CCN2C(=S)N=NC2c2ccc(C)cc2)CC1 ZINC000733161871 1075994239 /nfs/dbraw/zinc/99/42/39/1075994239.db2.gz LHAMHORIBIPWBS-UHFFFAOYSA-N 0 3 402.568 1.686 20 0 HDADHN CCN1CCN(CCNC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)CC1 ZINC000733161149 1075995406 /nfs/dbraw/zinc/99/54/06/1075995406.db2.gz IWUOHWFHOOGQMY-UHFFFAOYSA-N 0 3 401.507 1.796 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)CN2C(=S)N=NC2c2ccc(C)cc2)CC1 ZINC000733169610 1075999767 /nfs/dbraw/zinc/99/97/67/1075999767.db2.gz DFULUPXWFGDKHA-KRWDZBQOSA-N 0 3 416.595 1.932 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)CC1 ZINC000733170671 1076000984 /nfs/dbraw/zinc/00/09/84/1076000984.db2.gz PLNVOHYEINAOAK-JTGQJZMRSA-N 0 3 414.554 1.709 20 0 HDADHN CC[C@H](CO)NCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000727057621 1076034806 /nfs/dbraw/zinc/03/48/06/1076034806.db2.gz BMYSWAVMYLEDFU-QGZVFWFLSA-N 0 3 405.520 1.806 20 0 HDADHN COCCNC(=O)c1c2c(sc1NC(=O)CN1CCCN(C)CC1)CCCC2 ZINC000727105602 1076052097 /nfs/dbraw/zinc/05/20/97/1076052097.db2.gz XIXVHMBBQIOYGV-UHFFFAOYSA-N 0 3 408.568 1.579 20 0 HDADHN COC(=O)CCCc1nc(COC(=O)C2CCN(c3ccc(F)cc3)C2=O)no1 ZINC000733463555 1076081805 /nfs/dbraw/zinc/08/18/05/1076081805.db2.gz MPRGFSAEKZPMIO-AWEZNQCLSA-N 0 3 405.382 1.801 20 0 HDADHN CN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](N4CCCC4)C3)cc2Cl)CC1 ZINC000727232273 1076086961 /nfs/dbraw/zinc/08/69/61/1076086961.db2.gz ZWVGPZYVJNZOGX-KRWDZBQOSA-N 0 3 419.957 1.727 20 0 HDADHN CC(C)NC(=O)CNC(=S)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000727278768 1076089724 /nfs/dbraw/zinc/08/97/24/1076089724.db2.gz XAPPVOVMPDSPSD-UHFFFAOYSA-N 0 3 405.612 1.573 20 0 HDADHN CC(C)NC(=O)CNC(=S)NNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000727270997 1076090612 /nfs/dbraw/zinc/09/06/12/1076090612.db2.gz UICXUGMIDZAHJZ-UHFFFAOYSA-N 0 3 422.624 1.019 20 0 HDADHN CN1CCC2(CC1)NC(=O)N(CN1CCO[C@@H](c3ccc(F)c(Cl)c3)C1)C2=O ZINC000727422778 1076126857 /nfs/dbraw/zinc/12/68/57/1076126857.db2.gz CQDKIMBQBDZGGE-MRXNPFEDSA-N 0 3 410.877 1.826 20 0 HDADHN CCN1CCN(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000727491441 1076137533 /nfs/dbraw/zinc/13/75/33/1076137533.db2.gz XIAFLQGPZLEGFB-IBGZPJMESA-N 0 3 404.555 1.876 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc2)CC1 ZINC000733668595 1076149167 /nfs/dbraw/zinc/14/91/67/1076149167.db2.gz JPBXXRMGBQHZKO-CVEARBPZSA-N 0 3 424.567 1.047 20 0 HDADHN CO[C@@H](CNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)C(F)(F)F ZINC000733672384 1076153832 /nfs/dbraw/zinc/15/38/32/1076153832.db2.gz VBCVSGGIKLWTRT-HNNXBMFYSA-N 0 3 419.469 1.910 20 0 HDADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H](OC)C(F)(F)F)cc2)CC1 ZINC000733675363 1076157354 /nfs/dbraw/zinc/15/73/54/1076157354.db2.gz XYNYYFPXJXSXES-MRXNPFEDSA-N 0 3 416.444 1.456 20 0 HDADHN CCNC(=O)c1cccc(NC(=O)CN[C@@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC000733897022 1076258334 /nfs/dbraw/zinc/25/83/34/1076258334.db2.gz HUVGFMFLOZCIEF-DEOSSOPVSA-N 0 3 424.545 1.992 20 0 HDADHN COCCN1C(=O)c2ccc(C(=O)N3CCCN(C(C)C)CC3)cc2S1(=O)=O ZINC000727807443 1076259720 /nfs/dbraw/zinc/25/97/20/1076259720.db2.gz XAEJQEUKGFVUPN-UHFFFAOYSA-N 0 3 409.508 1.034 20 0 HDADHN CN(C)C(=O)c1ccc(NC(=O)CN[C@]2(CO)CCCN(Cc3ccccc3)C2)cc1 ZINC000733898692 1076259703 /nfs/dbraw/zinc/25/97/03/1076259703.db2.gz RYPTUCMVYJDAKB-XMMPIXPASA-N 0 3 424.545 1.944 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000727853023 1076272371 /nfs/dbraw/zinc/27/23/71/1076272371.db2.gz FCJMUOQRTSWTFW-UONOGXRCSA-N 0 3 420.432 1.090 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000727860128 1076275188 /nfs/dbraw/zinc/27/51/88/1076275188.db2.gz SAUZNPGWPCEIPO-QGZVFWFLSA-N 0 3 424.505 1.681 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3cnn4ccc(C)nc34)cc2)CC1 ZINC000727932441 1076288682 /nfs/dbraw/zinc/28/86/82/1076288682.db2.gz YPKGQEGWGWMIKV-UHFFFAOYSA-N 0 3 422.489 1.975 20 0 HDADHN CC(=O)c1ccc(N2CCN(C(=O)CN3CCC[C@H](C4OCCO4)C3)CC2)c(F)c1 ZINC000728053453 1076320683 /nfs/dbraw/zinc/32/06/83/1076320683.db2.gz KWVNMFUOPOYWPC-SFHVURJKSA-N 0 3 419.497 1.762 20 0 HDADHN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000728070178 1076332294 /nfs/dbraw/zinc/33/22/94/1076332294.db2.gz FIDSRZPNHOAPSD-FHSFGEDOSA-N 0 3 408.568 1.185 20 0 HDADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000728140702 1076341362 /nfs/dbraw/zinc/34/13/62/1076341362.db2.gz DPFUYBJCLKZWND-HOTGVXAUSA-N 0 3 406.502 1.837 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)N3CCN(Cc4nccn4C)CC3)cc2)CC1 ZINC000730064253 1076433470 /nfs/dbraw/zinc/43/34/70/1076433470.db2.gz OFJAZYLOKZNFFX-UHFFFAOYSA-N 0 3 411.554 1.912 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000730218192 1076480474 /nfs/dbraw/zinc/48/04/74/1076480474.db2.gz FURZYZRFDVKBCG-KDOFPFPSSA-N 0 3 402.470 1.119 20 0 HDADHN COC(=O)C1CCN(CCCNC(=O)CCC(=O)N2CCOc3ccccc32)CC1 ZINC000730278290 1076520232 /nfs/dbraw/zinc/52/02/32/1076520232.db2.gz MOPDUNGMXUKWJL-UHFFFAOYSA-N 0 3 417.506 1.584 20 0 HDADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC001545677826 1076634622 /nfs/dbraw/zinc/63/46/22/1076634622.db2.gz HOPJLFDRPVYXRC-IBGZPJMESA-N 0 3 420.554 1.834 20 0 HDADHN COCCN1C(=O)c2ccc(C(=O)N3CC[C@@H](N4CCCCC4)C3)cc2S1(=O)=O ZINC000730798350 1076653474 /nfs/dbraw/zinc/65/34/74/1076653474.db2.gz VHAIIVDJQULRSV-MRXNPFEDSA-N 0 3 421.519 1.178 20 0 HDADHN COCCN1CC[C@H](NC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 ZINC000730789706 1076659496 /nfs/dbraw/zinc/65/94/96/1076659496.db2.gz SGZOJHSWGPVAPB-HNNXBMFYSA-N 0 3 410.478 1.291 20 0 HDADHN COC1CCN(C(C)(C)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)CC1 ZINC000730791882 1076660771 /nfs/dbraw/zinc/66/07/71/1076660771.db2.gz YHVPXMYPGUWEHH-UHFFFAOYSA-N 0 3 413.540 1.683 20 0 HDADHN O=C(Nc1ccc(-n2cncn2)c(Cl)c1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000730921448 1076693781 /nfs/dbraw/zinc/69/37/81/1076693781.db2.gz UWTLBOYSADHHOS-HNNXBMFYSA-N 0 3 402.886 1.946 20 0 HDADHN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NC[C@@H](C)N2CCN(CC)CC2)C1 ZINC000731232715 1076761115 /nfs/dbraw/zinc/76/11/15/1076761115.db2.gz HFUGKQOMQWFELC-YLJYHZDGSA-N 0 3 415.538 1.327 20 0 HDADHN O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(N2CCN3CC[NH2+]C[C@@H]3C2)nc1 ZINC001164402764 718841190 /nfs/dbraw/zinc/84/11/90/718841190.db2.gz HCSZZKADJQRPTB-CQSZACIVSA-N 0 3 409.462 1.254 20 0 HDADHN CCOC(=O)Cc1nc(Cl)cc(N2CCC3(CCCN3CC(=O)NC)CC2)n1 ZINC001164685207 719716658 /nfs/dbraw/zinc/71/66/58/719716658.db2.gz SCSIRVCTQHXFDL-UHFFFAOYSA-N 0 3 409.918 1.416 20 0 HDADHN CNC(=O)CN1CCOC[C@@]2(CCCN(c3cc(N4CCCC4)nc(C)n3)C2)C1 ZINC001164717250 720218956 /nfs/dbraw/zinc/21/89/56/720218956.db2.gz HIYVJDHJWHZCLO-NRFANRHFSA-N 0 3 402.543 1.050 20 0 HDADHN CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@@H](CCN2c2ccc(CN3CCCC3)cn2)O1 ZINC001164723131 720322839 /nfs/dbraw/zinc/32/28/39/720322839.db2.gz HAVATZFTYVDRBQ-SLFFLAALSA-N 0 3 402.539 1.909 20 0 HDADHN COC(=O)c1cc2c(OC)[nH]c(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)cc-2n1 ZINC001164742664 720690132 /nfs/dbraw/zinc/69/01/32/720690132.db2.gz WGUCZAYGHJJQKY-ZIAGYGMSSA-N 0 3 424.461 1.490 20 0 HDADHN COC(=O)c1cc2ccncc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741079 720710013 /nfs/dbraw/zinc/71/00/13/720710013.db2.gz SPWDHOREMDGUPI-CVEARBPZSA-N 0 3 406.446 1.548 20 0 HDADHN Cc1nc2c(nc(Cl)nc2N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1C ZINC001164738663 720752179 /nfs/dbraw/zinc/75/21/79/720752179.db2.gz GNNOZUQNSLZFLM-STQMWFEESA-N 0 3 400.874 1.457 20 0 HDADHN Cc1nc2c(nc(Cl)nc2N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1C ZINC001164738658 720752939 /nfs/dbraw/zinc/75/29/39/720752939.db2.gz GNNOZUQNSLZFLM-CHWSQXEVSA-N 0 3 400.874 1.457 20 0 HDADHN CS(=O)(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)N2CC2CC2)C1 ZINC001164740251 720820726 /nfs/dbraw/zinc/82/07/26/720820726.db2.gz JWOMVYIIBVPASN-FGTMMUONSA-N 0 3 416.551 1.456 20 0 HDADHN O=c1cc(Cn2ccnc2)nc2n1CCCN(c1ncccc1CN1CCCC1)C2 ZINC001164857764 720896468 /nfs/dbraw/zinc/89/64/68/720896468.db2.gz JQQKQQOIWLPMHK-UHFFFAOYSA-N 0 3 405.506 1.889 20 0 HDADHN CN(Cc1ccc(N2CCCn3c(=O)cc(Cn4ccnc4)nc3C2)nc1)C1CC1 ZINC001164855805 720896512 /nfs/dbraw/zinc/89/65/12/720896512.db2.gz CEOFAJOUKGEUKG-UHFFFAOYSA-N 0 3 405.506 1.888 20 0 HDADHN CN(Cc1ccc(N2CC[C@@H]3CO[C@@H](CNC(=O)c4ccno4)[C@H]3C2)nc1)C1CC1 ZINC001164859089 720913727 /nfs/dbraw/zinc/91/37/27/720913727.db2.gz OOYWBYPZMOEEQJ-KPFFTGBYSA-N 0 3 411.506 1.935 20 0 HDADHN O=c1ccccn1-c1nccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164875485 721157460 /nfs/dbraw/zinc/15/74/60/721157460.db2.gz LRCDFYHCOHNCEO-OALUTQOASA-N 0 3 404.474 1.502 20 0 HDADHN COC(OC)c1c(CO)ccnc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164772357 721177167 /nfs/dbraw/zinc/17/71/67/721177167.db2.gz SWTWTYPTCWBUJN-WMZOPIPTSA-N 0 3 401.511 1.557 20 0 HDADHN CCOC(=O)c1nc2ccn(C)c2c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164767604 721180166 /nfs/dbraw/zinc/18/01/66/721180166.db2.gz KEOHYEMPSRRQQC-DLBZAZTESA-N 0 3 423.521 1.837 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164769450 721194737 /nfs/dbraw/zinc/19/47/37/721194737.db2.gz MMIWJAFYROAKEQ-IRXDYDNUSA-N 0 3 404.540 1.024 20 0 HDADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(N5CCOCC5)ncn4)C3)O2)CC1 ZINC001164890528 721387115 /nfs/dbraw/zinc/38/71/15/721387115.db2.gz NWTWOILWWWPSCH-UGKGYDQZSA-N 0 3 416.570 1.079 20 0 HDADHN NS(=O)(=O)c1cccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164912196 721737331 /nfs/dbraw/zinc/73/73/31/721737331.db2.gz MOOVICGXPLBLSB-SFHVURJKSA-N 0 3 423.489 1.862 20 0 HDADHN O=C([C@H]1COC2(C1)CCN(c1ncccc1CN1CCCC1)CC2)N1CCOCC1 ZINC001164956850 722045825 /nfs/dbraw/zinc/04/58/25/722045825.db2.gz DIWJOKNZFPGIGV-HXUWFJFHSA-N 0 3 414.550 1.912 20 0 HDADHN Cn1ccnc1C(=O)N[C@@H]1CN(c2ncccc2CN2CCCC2)[C@@H]2CCCO[C@@H]12 ZINC001164984065 722093764 /nfs/dbraw/zinc/09/37/64/722093764.db2.gz VDEJBIJQAZIHSF-QRVBRYPASA-N 0 3 410.522 1.577 20 0 HDADHN NC(=O)c1cc(Cl)cnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984376 722103521 /nfs/dbraw/zinc/10/35/21/722103521.db2.gz SWZWRTREIVSBGU-MAUKXSAKSA-N 0 3 401.898 1.956 20 0 HDADHN Cc1nc(-n2cncn2)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979728 722151697 /nfs/dbraw/zinc/15/16/97/722151697.db2.gz LVDILHCNFYSZSY-MOPGFXCFSA-N 0 3 406.494 1.488 20 0 HDADHN CN(Cc1ccc(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)nc1)C1CC1 ZINC001165001869 722237948 /nfs/dbraw/zinc/23/79/48/722237948.db2.gz NRURXWIVXOSRFO-UHFFFAOYSA-N 0 3 407.566 1.823 20 0 HDADHN c1cnc(N2CCOC[C@]3(CN(c4ccc(CN5CCCC5)cn4)CCO3)C2)nc1 ZINC001165001144 722247225 /nfs/dbraw/zinc/24/72/25/722247225.db2.gz MXAHRPUIIBJMMF-QFIPXVFZSA-N 0 3 410.522 1.580 20 0 HDADHN CCOCCN1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000429051837 1073479628 /nfs/dbraw/zinc/47/96/28/1073479628.db2.gz IXCBYSHLGKNIDA-OAQYLSRUSA-N 0 3 404.555 1.641 20 0 HDADHN O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1CCN1C(=O)c2ccccc2C1=O ZINC000509089345 1073506403 /nfs/dbraw/zinc/50/64/03/1073506403.db2.gz JJJRPIJGMFZVQA-HSZRJFAPSA-N 0 3 418.453 1.479 20 0 HDADHN Cc1sc2ncn(CC(=O)N3CCCN(C[C@@H]4CCCO4)CC3)c(=O)c2c1C ZINC000625189499 1073556548 /nfs/dbraw/zinc/55/65/48/1073556548.db2.gz MHVGEXZKFJPKSI-INIZCTEOSA-N 0 3 404.536 1.788 20 0 HDADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCc3nc(-c4ccccc4)ncc3C2)CC1=O ZINC000673657130 1073590094 /nfs/dbraw/zinc/59/00/94/1073590094.db2.gz SVXSJRSUXHJUCE-OALUTQOASA-N 0 3 407.518 1.527 20 0 HDADHN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 ZINC000673658225 1073605281 /nfs/dbraw/zinc/60/52/81/1073605281.db2.gz GXYXRTXBMVGPEY-HDICACEKSA-N 0 3 401.555 1.708 20 0 HDADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CCCC1 ZINC000673670195 1073620215 /nfs/dbraw/zinc/62/02/15/1073620215.db2.gz GDPSPPYNUNERNT-CYBMUJFWSA-N 0 3 412.556 1.729 20 0 HDADHN C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000673716688 1073648614 /nfs/dbraw/zinc/64/86/14/1073648614.db2.gz YVJHCMCFSKNYOR-APWZRJJASA-N 0 3 416.547 1.867 20 0 HDADHN C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000673713581 1073652721 /nfs/dbraw/zinc/65/27/21/1073652721.db2.gz DZQPQDDOUPSJIP-LPHOPBHVSA-N 0 3 416.547 1.867 20 0 HDADHN CC(C)Cn1c(N)c(C(=O)CN2CC[C@@H](N(C)Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC000673715473 1073654352 /nfs/dbraw/zinc/65/43/52/1073654352.db2.gz WAFSPFLBYHEUSL-QGZVFWFLSA-N 0 3 413.522 1.576 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000673771932 1073705522 /nfs/dbraw/zinc/70/55/22/1073705522.db2.gz PFCRSRSLUGUALX-PKOBYXMFSA-N 0 3 408.568 1.716 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000673769737 1073713134 /nfs/dbraw/zinc/71/31/34/1073713134.db2.gz UYRFVYDQRRFZSI-LJQANCHMSA-N 0 3 401.555 1.457 20 0 HDADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCN1c1ncccn1 ZINC000673814438 1073757815 /nfs/dbraw/zinc/75/78/15/1073757815.db2.gz KAKJQSRWSWUADS-OAQYLSRUSA-N 0 3 408.550 1.770 20 0 HDADHN Cn1c(=O)c2cc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)cnc2n(C)c1=O ZINC000029315861 1073792425 /nfs/dbraw/zinc/79/24/25/1073792425.db2.gz PVPJJCIFIBAGQL-GOSISDBHSA-N 0 3 407.474 1.199 20 0 HDADHN C[C@@H](NC[C@@H](c1cccs1)N1CCOCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000216380168 1073793124 /nfs/dbraw/zinc/79/31/24/1073793124.db2.gz WRXUQGLEHNPQMD-PBHICJAKSA-N 0 3 402.520 1.837 20 0 HDADHN O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@H]2CCCN2c2ncccn2)cc1 ZINC000673837712 1073811543 /nfs/dbraw/zinc/81/15/43/1073811543.db2.gz KWGSADRETCWLHM-HXUWFJFHSA-N 0 3 422.533 1.587 20 0 HDADHN CCOC(=O)c1c(C)c(C)sc1NC(=O)CN[C@@H](CC(N)=O)C1CCOCC1 ZINC000543492394 1073821751 /nfs/dbraw/zinc/82/17/51/1073821751.db2.gz VYXLSKLTGJHEEJ-AWEZNQCLSA-N 0 3 411.524 1.740 20 0 HDADHN NC(=O)C[C@H](N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)C1CCOCC1 ZINC000543494418 1073824323 /nfs/dbraw/zinc/82/43/23/1073824323.db2.gz GZEBWXQMBBNCLP-HOTGVXAUSA-N 0 3 415.412 1.951 20 0 HDADHN NC(=O)c1cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)ccc1F ZINC000673875738 1073841826 /nfs/dbraw/zinc/84/18/26/1073841826.db2.gz DSGXYLGPXKXTGI-KXBFYZLASA-N 0 3 400.454 1.929 20 0 HDADHN O=C(NC1CCN(CC(F)F)CC1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000673876606 1073843907 /nfs/dbraw/zinc/84/39/07/1073843907.db2.gz HDDIZQPGKXQYIG-MJGOQNOKSA-N 0 3 410.509 1.898 20 0 HDADHN O=C(NCc1cc2c([nH]c1=O)CCC2)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000673878774 1073849273 /nfs/dbraw/zinc/84/92/73/1073849273.db2.gz OTISUEMTWOIOBE-FPOVZHCZSA-N 0 3 410.518 1.958 20 0 HDADHN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000543496539 1073857276 /nfs/dbraw/zinc/85/72/76/1073857276.db2.gz RFFRSPMMVASALU-QWRGUYRKSA-N 0 3 412.412 1.650 20 0 HDADHN CCCn1c(CCC(=O)N2CCNC(C)(C)C2)nc2cc(S(N)(=O)=O)ccc21 ZINC000673907576 1073874075 /nfs/dbraw/zinc/87/40/75/1073874075.db2.gz BLAIJFHYPDGWJY-UHFFFAOYSA-N 0 3 407.540 1.237 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)CC1 ZINC000509192567 1074035352 /nfs/dbraw/zinc/03/53/52/1074035352.db2.gz BOGIUNYDQCYWNT-UHFFFAOYSA-N 0 3 419.526 1.415 20 0 HDADHN CN(CCN1CCN(C(=O)NCC(C)(C)S(C)(=O)=O)CC1)Cc1ccccc1 ZINC000674035046 1074105790 /nfs/dbraw/zinc/10/57/90/1074105790.db2.gz IEMNIDWFSTYYSO-UHFFFAOYSA-N 0 3 410.584 1.269 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000674090102 1074180662 /nfs/dbraw/zinc/18/06/62/1074180662.db2.gz PHNFKRCNAWBOIZ-KRWDZBQOSA-N 0 3 403.433 1.705 20 0 HDADHN COc1cc(CN2CCN(C(=O)N[C@H]3CCCN(C)C3)CC2)cc(OC)c1OC ZINC000674148662 1074198740 /nfs/dbraw/zinc/19/87/40/1074198740.db2.gz PPCVXWISYDJJSP-KRWDZBQOSA-N 0 3 406.527 1.634 20 0 HDADHN CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000674192348 1074206579 /nfs/dbraw/zinc/20/65/79/1074206579.db2.gz ANRVMEZBXVFOII-KRWDZBQOSA-N 0 3 408.524 1.377 20 0 HDADHN COCCN1CCC(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1 ZINC000140317795 1074256469 /nfs/dbraw/zinc/25/64/69/1074256469.db2.gz NIRRGEDSSWSZEV-IAGOWNOFSA-N 0 3 405.543 1.605 20 0 HDADHN COc1ccc(N2C[C@@H](C(=O)NCCN3CCC(OC)CC3)CC2=O)c(OC)c1 ZINC000674311638 1074269566 /nfs/dbraw/zinc/26/95/66/1074269566.db2.gz IMUSRDLICJGZSF-HNNXBMFYSA-N 0 3 405.495 1.284 20 0 HDADHN COC1CCN(CCNC(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)CC1 ZINC000674327803 1074277328 /nfs/dbraw/zinc/27/73/28/1074277328.db2.gz AUNUXDWMNYCDCV-OAQYLSRUSA-N 0 3 404.555 1.778 20 0 HDADHN COC1CCN(CCNC(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 ZINC000674328284 1074277383 /nfs/dbraw/zinc/27/73/83/1074277383.db2.gz SPXCCHXZXJXTNS-LJQANCHMSA-N 0 3 404.511 1.714 20 0 HDADHN COC1CCN(CCNC(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)CC1 ZINC000674328816 1074278566 /nfs/dbraw/zinc/27/85/66/1074278566.db2.gz ZVWALPSQPPQBAN-HXUWFJFHSA-N 0 3 418.538 1.505 20 0 HDADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000674397628 1074311106 /nfs/dbraw/zinc/31/11/06/1074311106.db2.gz HAWHOXNTKSPJAR-RTWAWAEBSA-N 0 3 404.555 1.548 20 0 HDADHN CCN1C(=O)[C@@H]2CN(CCC(=O)Nc3cccc(Br)c3)CCN2C1=O ZINC000674501572 1074397885 /nfs/dbraw/zinc/39/78/85/1074397885.db2.gz MOCJICZOUXOKMC-AWEZNQCLSA-N 0 3 409.284 1.746 20 0 HDADHN COc1cc(OC)cc(N2C[C@@H](C(=O)NCCN3CCC(OC)CC3)CC2=O)c1 ZINC000674543591 1074425519 /nfs/dbraw/zinc/42/55/19/1074425519.db2.gz AEKOYWHXLALXEQ-HNNXBMFYSA-N 0 3 405.495 1.284 20 0 HDADHN CCN1CCN(c2ccc(C(=O)NC[C@H]3CCC[C@@]34NC(=O)N(C)C4=O)cc2)CC1 ZINC000674585109 1074466232 /nfs/dbraw/zinc/46/62/32/1074466232.db2.gz VVAZRFNQTMYOAO-VGOFRKELSA-N 0 3 413.522 1.279 20 0 HDADHN CCn1nc2c(cc1=O)CN(C(=O)CCCN1CCN(c3ccccc3)CC1)CC2 ZINC000674593340 1074470802 /nfs/dbraw/zinc/47/08/02/1074470802.db2.gz PIJADHNWGMZZSA-UHFFFAOYSA-N 0 3 409.534 1.750 20 0 HDADHN CCN1C(=O)[C@H]2CN(C(=O)CCCN3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000674594446 1074472280 /nfs/dbraw/zinc/47/22/80/1074472280.db2.gz AXXXBALXTKHVPL-LJQANCHMSA-N 0 3 413.522 1.084 20 0 HDADHN CCN1C(=O)[C@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)CCN2C1=O ZINC000674595209 1074474352 /nfs/dbraw/zinc/47/43/52/1074474352.db2.gz TWXGAIZCBYIGEL-SJLPKXTDSA-N 0 3 402.470 1.533 20 0 HDADHN CN(C)[C@@H](CNC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)Cc1ccccc1 ZINC000674609865 1074478843 /nfs/dbraw/zinc/47/88/43/1074478843.db2.gz ZWBIHTMGUUOKDD-LZJOCLMNSA-N 0 3 401.511 1.179 20 0 HDADHN Cc1ccc([C@H](CNC(=O)N(C)CCN2CCCS2(=O)=O)N2CCCC2)cc1 ZINC000674624080 1074483221 /nfs/dbraw/zinc/48/32/21/1074483221.db2.gz QXSLWVRMEBWHMP-IBGZPJMESA-N 0 3 408.568 1.809 20 0 HDADHN CCc1ccc([C@H](CNC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)N(C)C)cc1 ZINC000674615009 1074484872 /nfs/dbraw/zinc/48/48/72/1074484872.db2.gz DAWTZWFRGJKMRC-FGSXEWAUSA-N 0 3 415.538 1.871 20 0 HDADHN CN(C)CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000674637984 1074497609 /nfs/dbraw/zinc/49/76/09/1074497609.db2.gz BJZDGISXYMQUIQ-AUUYWEPGSA-N 0 3 407.540 1.542 20 0 HDADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000674639359 1074498311 /nfs/dbraw/zinc/49/83/11/1074498311.db2.gz SYYTVIOCBAKPPK-HRAATJIYSA-N 0 3 419.501 1.619 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000674667645 1074513899 /nfs/dbraw/zinc/51/38/99/1074513899.db2.gz JKIYIUSNDMPBIO-MRXNPFEDSA-N 0 3 409.552 1.206 20 0 HDADHN C[C@@H](C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000674668981 1074519899 /nfs/dbraw/zinc/51/98/99/1074519899.db2.gz IGIGGPNUVQDDHR-CRAIPNDOSA-N 0 3 409.552 1.253 20 0 HDADHN O=C(Nc1ccc(C(=O)NC2CCOCC2)cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000674711348 1074537648 /nfs/dbraw/zinc/53/76/48/1074537648.db2.gz CDNLMLHLANRMEF-LJQANCHMSA-N 0 3 414.506 1.134 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)CC1 ZINC000674917048 1074627525 /nfs/dbraw/zinc/62/75/25/1074627525.db2.gz IFZXDYSZHUAYRN-FGZHOGPDSA-N 0 3 416.566 1.914 20 0 HDADHN C[C@H]1CN(CN2C(=O)c3ccc(Br)cc3C2=O)CCN1CC(C)(C)O ZINC000766087643 1074665751 /nfs/dbraw/zinc/66/57/51/1074665751.db2.gz JUFFIWQEOQKLRX-LBPRGKRZSA-N 0 3 410.312 1.780 20 0 HDADHN Cc1cc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)nn1-c1cccc(F)c1 ZINC000537384316 1074687834 /nfs/dbraw/zinc/68/78/34/1074687834.db2.gz OWQXDYACRIPVPJ-GOSISDBHSA-N 0 3 417.485 1.828 20 0 HDADHN CCc1ccc([C@@H](CNC(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)N(C)C)cc1 ZINC000675084413 1074700765 /nfs/dbraw/zinc/70/07/65/1074700765.db2.gz WNJGCTNAOMEMIZ-MSOLQXFVSA-N 0 3 401.511 1.530 20 0 HDADHN CCN1C(=O)[C@@H]2CN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)CCN2C1=O ZINC000675102385 1074719212 /nfs/dbraw/zinc/71/92/12/1074719212.db2.gz YCBCZLKAHCQCBE-MOPGFXCFSA-N 0 3 413.522 1.892 20 0 HDADHN Cc1c(C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnn1-c1cccc2c1CCN(C)C2 ZINC000675188288 1074752316 /nfs/dbraw/zinc/75/23/16/1074752316.db2.gz JJKLZSFFYMNHMF-MJGOQNOKSA-N 0 3 408.506 1.447 20 0 HDADHN Cc1cc(NC(=O)C(=O)NC[C@H](C)N(C)C)nn1CCCOc1ccc(F)cc1 ZINC000504112416 1074755208 /nfs/dbraw/zinc/75/52/08/1074755208.db2.gz UREMESWTAPCDLU-HNNXBMFYSA-N 0 3 405.474 1.805 20 0 HDADHN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN[C@@H]1Cc2cccc(O)c2C1 ZINC000429323449 1074757746 /nfs/dbraw/zinc/75/77/46/1074757746.db2.gz WIJKIHADPXAKLO-OXQOHEQNSA-N 0 3 407.470 1.831 20 0 HDADHN CCCC[C@@H](NCc1ccc(CS(=O)(=O)NC)cc1)C(=O)Nc1cc(C)on1 ZINC000645079648 1075103580 /nfs/dbraw/zinc/10/35/80/1075103580.db2.gz GRXTZEWONUTPNX-QGZVFWFLSA-N 0 3 408.524 2.319 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1)CN1CCN(C)CC1 ZINC000675403611 1075128977 /nfs/dbraw/zinc/12/89/77/1075128977.db2.gz NCMGPWXFQFCEMU-MSOLQXFVSA-N 0 3 412.538 1.431 20 0 HDADHN C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000675406722 1075133296 /nfs/dbraw/zinc/13/32/96/1075133296.db2.gz CXBALDUDZLFHMY-RDJZCZTQSA-N 0 3 416.522 1.254 20 0 HDADHN COc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CCCN(C)C2)N2CCCCC2)cc1 ZINC000670527674 1075152492 /nfs/dbraw/zinc/15/24/92/1075152492.db2.gz WBRROWLNDZZMAA-ICSRJNTNSA-N 0 3 402.539 1.549 20 0 HDADHN O=C(Cn1nnc(-c2ccccc2)n1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429346062 1075152643 /nfs/dbraw/zinc/15/26/43/1075152643.db2.gz PDTQPPKGFKBSJL-FQEVSTJZSA-N 0 3 406.490 1.747 20 0 HDADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 ZINC000539663447 1075166191 /nfs/dbraw/zinc/16/61/91/1075166191.db2.gz YFTCWRMKANUPIA-UHFFFAOYSA-N 0 3 407.902 1.809 20 0 HDADHN CCNC(=O)COc1cccc(NC(=O)N2CCN(C(=O)CN(CC)CC)CC2)c1 ZINC000509248642 1075167941 /nfs/dbraw/zinc/16/79/41/1075167941.db2.gz VFGAILIETGAFIU-UHFFFAOYSA-N 0 3 419.526 1.219 20 0 HDADHN CN1CCN(CCCNC(=O)N2CCC(S(C)(=O)=O)CC2)[C@@H](c2ccccc2)C1 ZINC000675480668 1075171258 /nfs/dbraw/zinc/17/12/58/1075171258.db2.gz SMYVKPDTTMWYDP-HXUWFJFHSA-N 0 3 422.595 1.584 20 0 HDADHN CCNC(=O)N1CC[C@H](NC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)C1 ZINC000675482095 1075171818 /nfs/dbraw/zinc/17/18/18/1075171818.db2.gz CGHGYMKQIUFCBU-INIZCTEOSA-N 0 3 411.510 1.097 20 0 HDADHN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000675491259 1075175189 /nfs/dbraw/zinc/17/51/89/1075175189.db2.gz HHOLWVWHLKCBPL-CQSZACIVSA-N 0 3 407.492 1.808 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)C2CCN(c3ccc4nncn4n3)CC2)c2ccccc2O1 ZINC000675490472 1075175239 /nfs/dbraw/zinc/17/52/39/1075175239.db2.gz CXJQLNCVOYZDEM-KRWDZBQOSA-N 0 3 421.505 1.697 20 0 HDADHN Cn1cc(-c2nn(C)cc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cn1 ZINC000429351921 1075179426 /nfs/dbraw/zinc/17/94/26/1075179426.db2.gz UTKWEQLUVZHUKQ-LJQANCHMSA-N 0 3 408.506 1.842 20 0 HDADHN CCn1c2ccc(C(=O)N3C[C@@H](CN(C)C)Oc4ccccc43)cc2[nH]c(=O)c1=O ZINC000675511318 1075189777 /nfs/dbraw/zinc/18/97/77/1075189777.db2.gz DNRSKVYRHVFQTC-OAHLLOKOSA-N 0 3 408.458 1.679 20 0 HDADHN Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000675536775 1075194548 /nfs/dbraw/zinc/19/45/48/1075194548.db2.gz HPUSDRRYZDKIMB-QGZVFWFLSA-N 0 3 424.567 1.183 20 0 HDADHN CCCCOc1ccc(C(=O)NCC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000675536912 1075194584 /nfs/dbraw/zinc/19/45/84/1075194584.db2.gz PBIJWFWHWGZFEN-IBGZPJMESA-N 0 3 403.523 1.965 20 0 HDADHN CCCCS(=O)(=O)N1CCC(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000675540599 1075197358 /nfs/dbraw/zinc/19/73/58/1075197358.db2.gz CFBWCRCZEPRYRH-SFHVURJKSA-N 0 3 401.573 1.198 20 0 HDADHN COc1cc(CN[C@@H]2CCN(C(=O)C3CCCC3)C2)cc(OC)c1OCC(N)=O ZINC000675553244 1075207299 /nfs/dbraw/zinc/20/72/99/1075207299.db2.gz GCAVPRMSZVOOKV-MRXNPFEDSA-N 0 3 405.495 1.449 20 0 HDADHN Cc1c(C(=O)N[C@H](C)CCS(C)(=O)=O)nnn1-c1cccc2c1CCN(C)C2 ZINC000675572961 1075208925 /nfs/dbraw/zinc/20/89/25/1075208925.db2.gz FCGDAQFOHBKYTM-CYBMUJFWSA-N 0 3 405.524 1.117 20 0 HDADHN COCCn1ccc(NC(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)n1 ZINC000519199170 1075211906 /nfs/dbraw/zinc/21/19/06/1075211906.db2.gz QXGRIYCGMPNZHV-UHFFFAOYSA-N 0 3 400.527 1.811 20 0 HDADHN CN1CCN(CCCNC(=O)C(=O)Nc2cnn(CC3CC3)c2)[C@H](c2ccccc2)C1 ZINC000675586264 1075215157 /nfs/dbraw/zinc/21/51/57/1075215157.db2.gz OYVFQDOCFDBOII-NRFANRHFSA-N 0 3 424.549 1.727 20 0 HDADHN COC(=O)CC[C@H](NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)C(=O)OC ZINC000470670571 1075250958 /nfs/dbraw/zinc/25/09/58/1075250958.db2.gz WBHBDPPGMSQUEC-SFHVURJKSA-N 0 3 405.495 1.442 20 0 HDADHN Cc1cc2cccnc2c(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000675760797 1075266391 /nfs/dbraw/zinc/26/63/91/1075266391.db2.gz WJMZYKGILKLYEU-QGZVFWFLSA-N 0 3 402.520 1.470 20 0 HDADHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1CC(=O)N1CCNC(=O)C1 ZINC000429379758 1075270701 /nfs/dbraw/zinc/27/07/01/1075270701.db2.gz AROIDOJNGHQOEB-OAQYLSRUSA-N 0 3 400.567 1.610 20 0 HDADHN CCOC(=O)Cc1nnc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)s1 ZINC000572401694 1075271898 /nfs/dbraw/zinc/27/18/98/1075271898.db2.gz HBOKFIXLOIKPLD-HIFRSBDPSA-N 0 3 403.508 2.428 20 0 HDADHN COc1cccc2c1OCC[C@@H]2NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000675975998 1075317982 /nfs/dbraw/zinc/31/79/82/1075317982.db2.gz CNSBWOQMTUMQAL-DLBZAZTESA-N 0 3 402.495 1.467 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000675981318 1075318822 /nfs/dbraw/zinc/31/88/22/1075318822.db2.gz KQMPUINXOYLSSZ-APWZRJJASA-N 0 3 421.492 1.492 20 0 HDADHN Cn1ccnc1C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1 ZINC000675996170 1075320150 /nfs/dbraw/zinc/32/01/50/1075320150.db2.gz GRKQKMVLJZVGKW-VQTJNVASSA-N 0 3 424.549 1.652 20 0 HDADHN CCOC(=O)c1cn(C)nc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000543313656 1075322533 /nfs/dbraw/zinc/32/25/33/1075322533.db2.gz KEPKWGYUGRYRSW-WMZOPIPTSA-N 0 3 415.494 1.601 20 0 HDADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000676020106 1075326323 /nfs/dbraw/zinc/32/63/23/1075326323.db2.gz HQXYPYZXWWZXPI-OFNKIYASSA-N 0 3 414.550 1.856 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000671686120 1075328070 /nfs/dbraw/zinc/32/80/70/1075328070.db2.gz MYZZHKBVYRVBDD-OAHLLOKOSA-N 0 3 420.311 1.651 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cccc(COC3CCOCC3)c2)CC1 ZINC000676044622 1075339482 /nfs/dbraw/zinc/33/94/82/1075339482.db2.gz FPBCFHUNHFWEMT-NRFANRHFSA-N 0 3 415.534 1.937 20 0 HDADHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000731469588 1075358412 /nfs/dbraw/zinc/35/84/12/1075358412.db2.gz SQQOMMVDTCDPLU-INIZCTEOSA-N 0 3 419.503 1.434 20 0 HDADHN CC(C)(C)OC(=O)NC[C@@H]1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000731530690 1075377102 /nfs/dbraw/zinc/37/71/02/1075377102.db2.gz IFKYRACDRHFWTJ-DOTOQJQBSA-N 0 3 418.494 1.711 20 0 HDADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1OC ZINC000527055373 1075395178 /nfs/dbraw/zinc/39/51/78/1075395178.db2.gz ZKEKVCOGECYTDG-UHFFFAOYSA-N 0 3 410.500 1.859 20 0 HDADHN COc1ccc(Cn2ccc(NC(=O)NC(C)(C)CCN3CCN(C)CC3)n2)cc1 ZINC000429977752 1075409522 /nfs/dbraw/zinc/40/95/22/1075409522.db2.gz BZFPLURPPHXWMC-UHFFFAOYSA-N 0 3 414.554 2.478 20 0 HDADHN CC[C@@H](C)n1nc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1C ZINC000487684636 1075442244 /nfs/dbraw/zinc/44/22/44/1075442244.db2.gz MOJBUDVZJBTSOQ-DNVCBOLYSA-N 0 3 413.522 1.636 20 0 HDADHN C[C@@H](NC(=O)NCCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CN(C)CCO1 ZINC000676243049 1075444062 /nfs/dbraw/zinc/44/40/62/1075444062.db2.gz GVVAWQQKJJTSNI-IFMALSPDSA-N 0 3 417.598 1.603 20 0 HDADHN C[C@H](NC(=O)NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CN(C)CCO1 ZINC000676243046 1075444266 /nfs/dbraw/zinc/44/42/66/1075444266.db2.gz GSQPAOCAUOWYSU-FPOVZHCZSA-N 0 3 403.571 1.213 20 0 HDADHN CCNS(=O)(=O)CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000731642897 1075444526 /nfs/dbraw/zinc/44/45/26/1075444526.db2.gz KXXVDBPJWOYTLV-MRXNPFEDSA-N 0 3 407.458 1.497 20 0 HDADHN CN1CCN(CC2CCN(C(=O)c3nn(-c4ccc(F)cc4)ccc3=O)CC2)CC1 ZINC000731687524 1075449419 /nfs/dbraw/zinc/44/94/19/1075449419.db2.gz VDWGRUMWYBHANG-UHFFFAOYSA-N 0 3 413.497 1.471 20 0 HDADHN COc1ccc([C@@H](CNc2nc(C)c(S(N)(=O)=O)s2)N(C)C)cc1OC ZINC000570062333 1075454788 /nfs/dbraw/zinc/45/47/88/1075454788.db2.gz WEGDTMKVZYXWDS-GFCCVEGCSA-N 0 3 400.526 1.831 20 0 HDADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccc(OC(C)C)nn2)c1 ZINC000551454089 1075471780 /nfs/dbraw/zinc/47/17/80/1075471780.db2.gz ZGVAOWIEZCITGL-UHFFFAOYSA-N 0 3 415.494 1.801 20 0 HDADHN COc1cc(CN[C@H]2CC(=O)N3CCCC[C@H]23)ccc1OCC(=O)N1CCOCC1 ZINC000509399622 1075486878 /nfs/dbraw/zinc/48/68/78/1075486878.db2.gz ABGMOEGVAXDWTK-ZWKOTPCHSA-N 0 3 417.506 1.176 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000676343830 1075517093 /nfs/dbraw/zinc/51/70/93/1075517093.db2.gz BRHSKUXYFKRVCM-SFHVURJKSA-N 0 3 407.536 1.454 20 0 HDADHN CC(C)CNS(=O)(=O)c1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000676343515 1075517443 /nfs/dbraw/zinc/51/74/43/1075517443.db2.gz SFAKAFRZPBQSLZ-GOSISDBHSA-N 0 3 409.552 1.604 20 0 HDADHN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NC1CCN([C@H]3CCOC3)CC1)C2=O ZINC000676345118 1075517986 /nfs/dbraw/zinc/51/79/86/1075517986.db2.gz WMQHCFOUNNPIBG-HRAATJIYSA-N 0 3 406.527 1.247 20 0 HDADHN O=C(COc1ccccc1)N1CCC[C@H](C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000676344885 1075518350 /nfs/dbraw/zinc/51/83/50/1075518350.db2.gz UNQUBPKOWAVRCX-AZUAARDMSA-N 0 3 415.534 1.674 20 0 HDADHN Cc1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc(S(=O)(=O)N(C)C)c1C ZINC000676345281 1075519143 /nfs/dbraw/zinc/51/91/43/1075519143.db2.gz JBEVEMMDOWDFRA-SFHVURJKSA-N 0 3 409.552 1.537 20 0 HDADHN CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000676344421 1075519163 /nfs/dbraw/zinc/51/91/63/1075519163.db2.gz DAFGFIREBPQFHK-LJQANCHMSA-N 0 3 423.579 1.888 20 0 HDADHN COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N2CCC[C@H](N(C)C)C2)c1 ZINC000731851153 1075533717 /nfs/dbraw/zinc/53/37/17/1075533717.db2.gz JHQXUVOJBUPVFX-HVHJFMEUSA-N 0 3 412.508 1.605 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000676393099 1075541213 /nfs/dbraw/zinc/54/12/13/1075541213.db2.gz LOVBUYQGUKAVOY-NEWSRXKRSA-N 0 3 421.538 1.338 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000509416442 1075569375 /nfs/dbraw/zinc/56/93/75/1075569375.db2.gz MJGOUOACKLFEID-UHFFFAOYSA-N 0 3 422.526 1.408 20 0 HDADHN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000504531066 1075569820 /nfs/dbraw/zinc/56/98/20/1075569820.db2.gz AOMXHXKPCDBQPX-OALUTQOASA-N 0 3 417.579 1.364 20 0 HDADHN CN(CCN1CCN(C(=O)CNC(=O)OCC(F)(F)F)CC1)Cc1ccccc1 ZINC000732074053 1075606336 /nfs/dbraw/zinc/60/63/36/1075606336.db2.gz QMAFYQNHIWHRNS-UHFFFAOYSA-N 0 3 416.444 1.551 20 0 HDADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CCN(C2CCC2)C1 ZINC000551280927 1075609501 /nfs/dbraw/zinc/60/95/01/1075609501.db2.gz VUUQIWGJSYDGFT-KRWDZBQOSA-N 0 3 410.522 1.792 20 0 HDADHN CN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)[C@H]1CCN(C2CC2)C1 ZINC000732165076 1075643756 /nfs/dbraw/zinc/64/37/56/1075643756.db2.gz CJSHPKPHJQXDFS-NSHDSACASA-N 0 3 402.314 1.405 20 0 HDADHN CCN1CCCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl ZINC000732138712 1075646875 /nfs/dbraw/zinc/64/68/75/1075646875.db2.gz GCYPJYDTQSRZMB-CQSZACIVSA-N 0 3 417.959 1.869 20 0 HDADHN CS[C@@H]1CN(C(=O)Nc2ccncc2I)C[C@@H]1N(C)C ZINC000546839300 1075688815 /nfs/dbraw/zinc/68/88/15/1075688815.db2.gz MKELUAIZELJNAJ-NWDGAFQWSA-N 0 3 406.293 1.617 20 0 HDADHN Cc1noc(CCCN2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)n1 ZINC001084996599 1075696727 /nfs/dbraw/zinc/69/67/27/1075696727.db2.gz PXKGJGKMFUKFHG-AISVETHESA-N 0 3 404.511 1.285 20 0 HDADHN O=C(CN1CC(=O)NC1=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000732284752 1075697752 /nfs/dbraw/zinc/69/77/52/1075697752.db2.gz ZQKYBXWXCVUXIB-UHFFFAOYSA-N 0 3 401.467 1.382 20 0 HDADHN C[C@@H]1CN(CCC2CCN(C(=O)C(=O)Nc3ncn(C(C)(C)C)n3)CC2)C[C@H](C)O1 ZINC000542349721 1075701360 /nfs/dbraw/zinc/70/13/60/1075701360.db2.gz JWAHKYRKFHYQQP-IYBDPMFKSA-N 0 3 420.558 1.710 20 0 HDADHN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)CN1Cc1ccccc1 ZINC000466709566 1075714564 /nfs/dbraw/zinc/71/45/64/1075714564.db2.gz DWAXOMJIOMMXAM-SJLPKXTDSA-N 0 3 404.474 1.985 20 0 HDADHN CN(C)CCN(C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1)C1CCCC1 ZINC000429787405 1075720979 /nfs/dbraw/zinc/72/09/79/1075720979.db2.gz HCDDMWNKPBAQCT-UHFFFAOYSA-N 0 3 418.929 2.251 20 0 HDADHN CN(C)CCN1C[C@H](C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1=O ZINC000498854915 1075723938 /nfs/dbraw/zinc/72/39/38/1075723938.db2.gz MYHNZDAGAHBCET-CYBMUJFWSA-N 0 3 420.311 1.983 20 0 HDADHN CN(C)CCN1C[C@H](C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)CC1=O ZINC000427199025 1075724005 /nfs/dbraw/zinc/72/40/05/1075724005.db2.gz JMTJFYFMOJPBPW-GFCCVEGCSA-N 0 3 410.400 1.635 20 0 HDADHN CN(CCNC(=O)C1CCN(C(=O)c2cnc3n[nH]nc3c2)CC1)Cc1ccccc1 ZINC000543588030 1075735577 /nfs/dbraw/zinc/73/55/77/1075735577.db2.gz RBRUOTOOMFCNMF-UHFFFAOYSA-N 0 3 421.505 1.453 20 0 HDADHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1)Cc1ccccc1 ZINC000468452983 1075748142 /nfs/dbraw/zinc/74/81/42/1075748142.db2.gz UGAYZTICARPKIN-HXUWFJFHSA-N 0 3 420.517 1.748 20 0 HDADHN COc1ccc([C@@H]2CCCN2CN2C(=O)NC3(CCN(C)CC3)C2=O)c(OC)c1 ZINC000732487114 1075748474 /nfs/dbraw/zinc/74/84/74/1075748474.db2.gz HXRYHGKSCVFZQL-KRWDZBQOSA-N 0 3 402.495 1.814 20 0 HDADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000582570433 1075753951 /nfs/dbraw/zinc/75/39/51/1075753951.db2.gz HNPRVIQTJKLISK-GOSISDBHSA-N 0 3 420.517 2.096 20 0 HDADHN C[C@H](NC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1)[C@@H](c1ccccc1)N(C)C ZINC000441710305 1075765116 /nfs/dbraw/zinc/76/51/16/1075765116.db2.gz YWUHPJSDQNMWFF-JXFKEZNVSA-N 0 3 406.490 2.073 20 0 HDADHN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000467694992 1075765321 /nfs/dbraw/zinc/76/53/21/1075765321.db2.gz CYLGDFAEPHCNHV-KSSFIOAISA-N 0 3 407.522 2.035 20 0 HDADHN Cc1nc2nc(N)nn2c(C)c1CCC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000644695664 1075765798 /nfs/dbraw/zinc/76/57/98/1075765798.db2.gz ZABGVDGWSXUBGF-KRWDZBQOSA-N 0 3 409.494 1.461 20 0 HDADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000672161829 1075790132 /nfs/dbraw/zinc/79/01/32/1075790132.db2.gz ZVZISWKLZDSNHV-IBGZPJMESA-N 0 3 414.550 1.706 20 0 HDADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000672161830 1075790148 /nfs/dbraw/zinc/79/01/48/1075790148.db2.gz ZVZISWKLZDSNHV-LJQANCHMSA-N 0 3 414.550 1.706 20 0 HDADHN COC(=O)c1ccccc1CS(=O)(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000611025981 1075813258 /nfs/dbraw/zinc/81/32/58/1075813258.db2.gz YMLQBVTVLKHFJO-SFHVURJKSA-N 0 3 409.552 1.403 20 0 HDADHN Cc1cc(S(N)(=O)=O)cc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)c1C ZINC000611029961 1075814726 /nfs/dbraw/zinc/81/47/26/1075814726.db2.gz QBCPAVZSVMIMLU-UHFFFAOYSA-N 0 3 413.540 1.296 20 0 HDADHN COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCCCCN1CCN(C)CC1 ZINC000611078863 1075829188 /nfs/dbraw/zinc/82/91/88/1075829188.db2.gz MFOBZGHQVCLTHK-UHFFFAOYSA-N 0 3 403.932 1.433 20 0 HDADHN CN(C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1CCN(C2CC2)C1 ZINC000732703318 1075836690 /nfs/dbraw/zinc/83/66/90/1075836690.db2.gz SGNDTYSTGBAGBO-CQSZACIVSA-N 0 3 412.478 1.426 20 0 HDADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000429295053 1075846108 /nfs/dbraw/zinc/84/61/08/1075846108.db2.gz AAXRUZACVJHQPF-KURKYZTESA-N 0 3 418.538 1.749 20 0 HDADHN COC(=O)c1csc(S(=O)(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)c1 ZINC000611167776 1075866385 /nfs/dbraw/zinc/86/63/85/1075866385.db2.gz XAIQLQUILSNOMY-UHFFFAOYSA-N 0 3 415.581 1.714 20 0 HDADHN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000611244252 1075885442 /nfs/dbraw/zinc/88/54/42/1075885442.db2.gz NCBNOXYDXLVGRF-KXBFYZLASA-N 0 3 416.522 1.523 20 0 HDADHN CCOC(=O)c1cnn2c1nccc2C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000611282547 1075891799 /nfs/dbraw/zinc/89/17/99/1075891799.db2.gz KAXQUGBVPOVUBE-CQSZACIVSA-N 0 3 409.446 1.875 20 0 HDADHN COC(=O)C(C)(C)[C@@H]1CCCN([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000611321382 1075899841 /nfs/dbraw/zinc/89/98/41/1075899841.db2.gz OHQRXCMKIGGIAC-DLBZAZTESA-N 0 3 419.522 1.864 20 0 HDADHN CS[C@@H]1CN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)C[C@H]1N(C)C ZINC000611331350 1075909121 /nfs/dbraw/zinc/90/91/21/1075909121.db2.gz IASZNLIQSWHCDN-RKDXNWHRSA-N 0 3 416.416 1.949 20 0 HDADHN Cc1cc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)ccc1N1C(=O)CCC1=O ZINC000733048838 1075954572 /nfs/dbraw/zinc/95/45/72/1075954572.db2.gz PQLQEBYNUIQPJR-GDBMZVCRSA-N 0 3 414.506 1.824 20 0 HDADHN CN1CCN(CCCCNC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000733131444 1075980516 /nfs/dbraw/zinc/98/05/16/1075980516.db2.gz PFCKYEOAZBDQSI-RELWKKBWSA-N 0 3 421.545 1.996 20 0 HDADHN CCc1cccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1CC ZINC000508317511 1075982376 /nfs/dbraw/zinc/98/23/76/1075982376.db2.gz KTTSPVWDYMOUHP-AYHJJNSGSA-N 0 3 414.550 1.950 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000733159991 1075992581 /nfs/dbraw/zinc/99/25/81/1075992581.db2.gz ZAUGTHGOOYEIBE-CQSZACIVSA-N 0 3 412.531 1.022 20 0 HDADHN CCN1CCN(CCNC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)CC1 ZINC000733162879 1075995370 /nfs/dbraw/zinc/99/53/70/1075995370.db2.gz VVUCWFZLLUNEBJ-JZJYNLBNSA-N 0 3 421.505 1.685 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)CCc2c(C)[nH]c3nn(C)c(=O)c-3c2C)CC1 ZINC000733170523 1076001007 /nfs/dbraw/zinc/00/10/07/1076001007.db2.gz OAVWGQZKJSJYBQ-OAHLLOKOSA-N 0 3 416.570 1.201 20 0 HDADHN CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)[C@@H](C1CC1)N(C)C ZINC001081101690 1076001819 /nfs/dbraw/zinc/00/18/19/1076001819.db2.gz LPVDIVYSGFKGHS-WMDQAZIPSA-N 0 3 403.567 1.837 20 0 HDADHN Cc1cc(Cn2nnc(C(=O)N3CCN(c4ccc(CN(C)C)cn4)CC3)c2C)no1 ZINC000512918194 1076004046 /nfs/dbraw/zinc/00/40/46/1076004046.db2.gz XUOKVBJQYFNKQQ-UHFFFAOYSA-N 0 3 424.509 1.350 20 0 HDADHN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H]3C[C@H](C)N(C4CC4)C3)C2)no1 ZINC000514025275 1076016360 /nfs/dbraw/zinc/01/63/60/1076016360.db2.gz UYVFWTYSCBHPDV-YSVLISHTSA-N 0 3 404.515 1.390 20 0 HDADHN CCOC(=O)N(C)C1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000727034649 1076029555 /nfs/dbraw/zinc/02/95/55/1076029555.db2.gz RBLCRDMTEFHPEX-QGZVFWFLSA-N 0 3 411.547 1.191 20 0 HDADHN CCN(CC)[C@@H](CNC(=S)NCCNS(C)(=O)=O)c1cccc(OC)c1 ZINC000727073025 1076045774 /nfs/dbraw/zinc/04/57/74/1076045774.db2.gz IGRWYURAMOAIRS-INIZCTEOSA-N 0 3 402.586 1.091 20 0 HDADHN O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000727231337 1076086308 /nfs/dbraw/zinc/08/63/08/1076086308.db2.gz IXKLZZAPCBEMHZ-ZDUSSCGKSA-N 0 3 401.435 1.318 20 0 HDADHN CCN1CCN(C(=O)[C@@H](C)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)CC1 ZINC000727323747 1076093352 /nfs/dbraw/zinc/09/33/52/1076093352.db2.gz YUBUDILRYXARDQ-MRXNPFEDSA-N 0 3 416.522 1.618 20 0 HDADHN CC(C)N(CCC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1)C(=O)OC(C)(C)C ZINC000727486608 1076141565 /nfs/dbraw/zinc/14/15/65/1076141565.db2.gz NGXCDLUZAKGTOZ-KRWDZBQOSA-N 0 3 410.559 1.963 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H](OC)C(F)(F)F)c(C)c2)CC1 ZINC000733672933 1076155549 /nfs/dbraw/zinc/15/55/49/1076155549.db2.gz BFDPNORIQMVPHS-INIZCTEOSA-N 0 3 416.444 1.769 20 0 HDADHN C[C@H]1CN(CC2CCN(C(=O)C(=O)Nc3cnn(C(C)(C)C)c3)CC2)C[C@H](C)O1 ZINC000532598253 1076238457 /nfs/dbraw/zinc/23/84/57/1076238457.db2.gz HLOSWUKLSJQYRX-HOTGVXAUSA-N 0 3 405.543 1.924 20 0 HDADHN CC(C)CN(C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)C1CCN(C)CC1 ZINC000733882919 1076239209 /nfs/dbraw/zinc/23/92/09/1076239209.db2.gz YMBDIBCAQYMGLH-IBGZPJMESA-N 0 3 403.502 1.825 20 0 HDADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)N1CCCOCC1 ZINC000536741439 1076256926 /nfs/dbraw/zinc/25/69/26/1076256926.db2.gz FGKAKMCIRSGJHO-LJQANCHMSA-N 0 3 411.506 1.826 20 0 HDADHN COC(=O)C1CCN(CCCNC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000727800107 1076258136 /nfs/dbraw/zinc/25/81/36/1076258136.db2.gz DUQJMFQHRGFNGA-CQSZACIVSA-N 0 3 423.432 1.541 20 0 HDADHN CC(C)N1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 ZINC000727806717 1076259991 /nfs/dbraw/zinc/25/99/91/1076259991.db2.gz AQDZFSQNMWYWNW-UHFFFAOYSA-N 0 3 413.515 1.403 20 0 HDADHN CC(=O)c1ccc(N2CCN(C(=O)CN3CCC[C@@H](C4OCCO4)C3)CC2)c(F)c1 ZINC000728053452 1076321003 /nfs/dbraw/zinc/32/10/03/1076321003.db2.gz KWVNMFUOPOYWPC-GOSISDBHSA-N 0 3 419.497 1.762 20 0 HDADHN COc1ccc(CN2CCCN(C(=O)CN3CCC[C@@H](C4OCCO4)C3)CC2)cc1 ZINC000728054121 1076322158 /nfs/dbraw/zinc/32/21/58/1076322158.db2.gz VMNMTWVOBPBPKX-HXUWFJFHSA-N 0 3 417.550 1.814 20 0 HDADHN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000728073728 1076333269 /nfs/dbraw/zinc/33/32/69/1076333269.db2.gz XSWKVLCMRUKJQF-DWDUUHQUSA-N 0 3 410.584 1.303 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)N3CCN(Cc4cnn(C)c4)CC3)cc2)CC1 ZINC000730064234 1076433343 /nfs/dbraw/zinc/43/33/43/1076433343.db2.gz NDJFHGCYJKDDAM-UHFFFAOYSA-N 0 3 411.554 1.912 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc(CN3CCCCC3=O)cc2)CC1 ZINC000730219044 1076479995 /nfs/dbraw/zinc/47/99/95/1076479995.db2.gz UOIGZENVNYHDIT-HXUWFJFHSA-N 0 3 412.534 1.753 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)CC1 ZINC000730281168 1076512224 /nfs/dbraw/zinc/51/22/24/1076512224.db2.gz DPQDJBVYOUAABC-SFHVURJKSA-N 0 3 414.506 1.133 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)CC1 ZINC000730285283 1076513793 /nfs/dbraw/zinc/51/37/93/1076513793.db2.gz KVJDOZPHYUGDMH-UHFFFAOYSA-N 0 3 416.522 1.205 20 0 HDADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)Nc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000730381829 1076553129 /nfs/dbraw/zinc/55/31/29/1076553129.db2.gz AAVGWNMXDZWBBS-SJORKVTESA-N 0 3 422.551 1.846 20 0 HDADHN CN(C)CCN(Cc1ccccn1)C(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC000730437256 1076578029 /nfs/dbraw/zinc/57/80/29/1076578029.db2.gz UOWXDAUEQWYBJD-UHFFFAOYSA-N 0 3 407.565 1.167 20 0 HDADHN O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000730774079 1076649836 /nfs/dbraw/zinc/64/98/36/1076649836.db2.gz SJYVLSPJVYSGFZ-BBWFWOEESA-N 0 3 420.897 1.524 20 0 HDADHN NS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000730796721 1076653084 /nfs/dbraw/zinc/65/30/84/1076653084.db2.gz NUUCNMRWGSJBRS-GFCCVEGCSA-N 0 3 416.341 1.797 20 0 HDADHN O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000730919296 1076692193 /nfs/dbraw/zinc/69/21/93/1076692193.db2.gz INVVVRUKZOKIOO-GOSISDBHSA-N 0 3 412.490 1.755 20 0 HDADHN O=C(CN1CCCC1)N1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000731006416 1076704359 /nfs/dbraw/zinc/70/43/59/1076704359.db2.gz DQVHUDDUXXHKMX-UHFFFAOYSA-N 0 3 421.491 1.125 20 0 HDADHN COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCN(C)C2)c(Br)cc1F ZINC000731038570 1076716289 /nfs/dbraw/zinc/71/62/89/1076716289.db2.gz FTDIFLFYPMZTFR-SNVBAGLBSA-N 0 3 423.304 1.995 20 0 HDADHN O=C(Nc1ccc(-n2cnc3ccccc32)nc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000731134373 1076737168 /nfs/dbraw/zinc/73/71/68/1076737168.db2.gz JFKKZBGMYGDOAJ-QGZVFWFLSA-N 0 3 404.474 1.960 20 0 HDADHN C[C@@H]1CN(c2ccc(NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)cc2)C[C@@H](C)O1 ZINC000731134615 1076737198 /nfs/dbraw/zinc/73/71/98/1076737198.db2.gz JYIIXOOEMHTCDV-GPMSIDNRSA-N 0 3 400.523 1.839 20 0 HDADHN Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@H]4NCCO[C@@H]4C3)c2c1C ZINC001164389415 718824519 /nfs/dbraw/zinc/82/45/19/718824519.db2.gz IGMMMGAYMIJRQY-HZPDHXFCSA-N 0 3 403.552 1.707 20 0 HDADHN C(c1nc2sc3c(c2c(N2CC[C@@H]4NCCO[C@H]4C2)n1)CCC3)N1CCOCC1 ZINC001164391737 718824643 /nfs/dbraw/zinc/82/46/43/718824643.db2.gz WVAHAJMPLRKTEU-HOTGVXAUSA-N 0 3 415.563 1.579 20 0 HDADHN COc1ccc(-c2cc(C(F)(F)N3CCNC(=O)C34CNC4)c(Cl)nn2)cc1 ZINC001164414093 718879405 /nfs/dbraw/zinc/87/94/05/718879405.db2.gz QAKXTZBSKWFEED-UHFFFAOYSA-N 0 3 409.824 1.629 20 0 HDADHN CC(C)n1nc(CN(C)C)c2c1CN(c1ncnc3[nH]cc(S(C)(=O)=O)c31)CC2 ZINC001164646822 719309506 /nfs/dbraw/zinc/30/95/06/719309506.db2.gz IJUMEJLVCNHXMJ-UHFFFAOYSA-N 0 3 417.539 1.763 20 0 HDADHN CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@H](CCN2c2ccc(CN(C)C3CC3)cn2)O1 ZINC001164723076 720324026 /nfs/dbraw/zinc/32/40/26/720324026.db2.gz GWKOYFPXKYGLJS-ZCNNSNEGSA-N 0 3 402.539 1.907 20 0 HDADHN c1cncc(CN2CC[C@H]3[C@H]2CCN3c2nc3c(c(N4CCOCC4)n2)CNC3)c1 ZINC001164735402 720426475 /nfs/dbraw/zinc/42/64/75/720426475.db2.gz XAAUZBKOTRNRGA-UXHICEINSA-N 0 3 407.522 1.165 20 0 HDADHN COC(=O)CSc1cccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164742817 720743445 /nfs/dbraw/zinc/74/34/45/720743445.db2.gz OMILWAMESSATTC-HUUCEWRRSA-N 0 3 401.492 1.479 20 0 HDADHN COC(=O)CSc1cccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164742813 720744410 /nfs/dbraw/zinc/74/44/10/720744410.db2.gz OMILWAMESSATTC-GJZGRUSLSA-N 0 3 401.492 1.479 20 0 HDADHN O=C(NC[C@@H]1OC[C@@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@H]21)c1ccno1 ZINC001164855629 720911535 /nfs/dbraw/zinc/91/15/35/720911535.db2.gz IXOAWYWJRBEBRS-NSHGMRRFSA-N 0 3 411.506 1.937 20 0 HDADHN O=C(NC[C@@H]1OC[C@@H]2CCN(c3ncccc3CN3CCCC3)C[C@H]21)c1ccno1 ZINC001164854479 720914833 /nfs/dbraw/zinc/91/48/33/720914833.db2.gz FKWZYPAOSVBIQR-NSHGMRRFSA-N 0 3 411.506 1.937 20 0 HDADHN O=C1COC2(CCN(c3ccc(CN4CCCC4)cn3)CC2)CN1c1cncnc1 ZINC001164863294 721038883 /nfs/dbraw/zinc/03/88/83/721038883.db2.gz QNYPWAOYCDHXNH-UHFFFAOYSA-N 0 3 408.506 1.870 20 0 HDADHN NC(=O)c1cc(F)c(Cl)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867796 721066357 /nfs/dbraw/zinc/06/63/57/721066357.db2.gz KLRXDRHIOBFZEF-UONOGXRCSA-N 0 3 405.861 1.848 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164876540 721139884 /nfs/dbraw/zinc/13/98/84/721139884.db2.gz NBEPHDWQZBVTPB-ZWKOTPCHSA-N 0 3 417.535 1.207 20 0 HDADHN c1cncc(CO[C@H]2C[C@@H]3CN(c4cc(N5CCSCC5)ncn4)CCN3C2)c1 ZINC001164880983 721170173 /nfs/dbraw/zinc/17/01/73/721170173.db2.gz YOQQMWAOYIXYFW-MOPGFXCFSA-N 0 3 412.563 1.905 20 0 HDADHN COC(OC)c1c(CO)ccnc1N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164772356 721174341 /nfs/dbraw/zinc/17/43/41/721174341.db2.gz SWTWTYPTCWBUJN-SJLPKXTDSA-N 0 3 401.511 1.557 20 0 HDADHN COCCOC(=O)c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164869777 721179936 /nfs/dbraw/zinc/17/99/36/721179936.db2.gz BINPRFFOTGMMLS-WOJBJXKFSA-N 0 3 412.490 1.760 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164769453 721195369 /nfs/dbraw/zinc/19/53/69/721195369.db2.gz MMIWJAFYROAKEQ-SJORKVTESA-N 0 3 404.540 1.024 20 0 HDADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(Cn5ccccc5=O)cn4)C[C@@H]3C2)cn1 ZINC001164773316 721207795 /nfs/dbraw/zinc/20/77/95/721207795.db2.gz WEMAMKSMRPBBGP-RTWAWAEBSA-N 0 3 404.518 1.983 20 0 HDADHN CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(Cl)nc4[n-]cnc43)CC2)C1 ZINC001164878263 721261889 /nfs/dbraw/zinc/26/18/89/721261889.db2.gz UBNNRVYPUADLDS-UHFFFAOYSA-N 0 3 407.906 1.013 20 0 HDADHN CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4[n-]cnc43)CC2)C1 ZINC001164878263 721261892 /nfs/dbraw/zinc/26/18/92/721261892.db2.gz UBNNRVYPUADLDS-UHFFFAOYSA-N 0 3 407.906 1.013 20 0 HDADHN CN(C)C(=O)CN1CCOCC2(CCN(c3cc(Cl)nc4c3CCNC4)CC2)C1 ZINC001164872839 721281783 /nfs/dbraw/zinc/28/17/83/721281783.db2.gz GCSLQBNQNFAWGV-UHFFFAOYSA-N 0 3 421.973 1.388 20 0 HDADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5nc[nH]c54)C3)O2)CC1 ZINC001164886767 721382741 /nfs/dbraw/zinc/38/27/41/721382741.db2.gz GDXNILMHEHFHIL-IFXJQAMLSA-N 0 3 405.934 1.772 20 0 HDADHN CCc1cc(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)nc(N2CCOCC2)n1 ZINC001164783440 721418532 /nfs/dbraw/zinc/41/85/32/721418532.db2.gz IQEAXEJFNSRRDK-HOTGVXAUSA-N 0 3 400.552 1.900 20 0 HDADHN Cc1cn(-c2ccc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)nn2)cn1 ZINC001164883724 721424574 /nfs/dbraw/zinc/42/45/74/721424574.db2.gz BXBLULRDWWZXAH-KNQAVFIVSA-N 0 3 411.554 1.736 20 0 HDADHN COC(=O)c1cc2c(ncnc2N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)[nH]1 ZINC001164802485 721534669 /nfs/dbraw/zinc/53/46/69/721534669.db2.gz GMNZUAPNLJGDPY-FHWLQOOXSA-N 0 3 422.489 1.959 20 0 HDADHN C[C@@H]1C(=O)Nc2cnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2N1C ZINC001164907129 721536934 /nfs/dbraw/zinc/53/69/34/721536934.db2.gz MFPLIPYHNLSPRD-FRFSOERESA-N 0 3 412.469 1.734 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164903132 721552431 /nfs/dbraw/zinc/55/24/31/721552431.db2.gz AVTNRZFURPHTEC-AEFFLSMTSA-N 0 3 420.510 1.813 20 0 HDADHN Cc1nc(N2CCCC2)cc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)n1 ZINC001164911607 721771242 /nfs/dbraw/zinc/77/12/42/721771242.db2.gz HTDRYRFFEUITJS-HSZRJFAPSA-N 0 3 424.549 1.888 20 0 HDADHN O=C([C@H]1C[C@]2(CO1)CCCN(c1ccc(CN3CCCC3)cn1)C2)N1CCOCC1 ZINC001165023705 721777109 /nfs/dbraw/zinc/77/71/09/721777109.db2.gz TZEPZEQZQIKTJU-NFBKMPQASA-N 0 3 414.550 1.912 20 0 HDADHN Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4ccc(CN5CCCC5)cn4)CC[C@H]32)cn1 ZINC001164956470 722031895 /nfs/dbraw/zinc/03/18/95/722031895.db2.gz GULQAOHHIRXBIQ-NJYVYQBISA-N 0 3 424.549 1.682 20 0 HDADHN O=C([C@@H]1COC2(C1)CCN(c1ccc(CN3CCCC3)cn1)CC2)N1CCOCC1 ZINC001164965537 722045592 /nfs/dbraw/zinc/04/55/92/722045592.db2.gz ZFVJAOPMOOXTEG-FQEVSTJZSA-N 0 3 414.550 1.912 20 0 HDADHN Cn1ccnc1C(=O)N[C@@H]1CN(c2ccc(CN3CCCC3)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164980846 722093311 /nfs/dbraw/zinc/09/33/11/722093311.db2.gz NDBHTISJANNRKQ-GGPKGHCWSA-N 0 3 410.522 1.577 20 0 HDADHN NC(=O)c1cnc(Cl)cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981794 722103103 /nfs/dbraw/zinc/10/31/03/722103103.db2.gz MKSKVSYODNMXRR-QAPCUYQASA-N 0 3 401.898 1.956 20 0 HDADHN COC(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1OC ZINC001164975498 722103962 /nfs/dbraw/zinc/10/39/62/722103962.db2.gz CAOQNIBOGFQGNZ-IEBWSBKVSA-N 0 3 412.490 1.999 20 0 HDADHN NC(=O)c1ccc(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974932 722120001 /nfs/dbraw/zinc/12/00/01/722120001.db2.gz JCFZAYKNQDANOM-DOTOQJQBSA-N 0 3 401.898 1.956 20 0 HDADHN NC(=O)c1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(C2CC2)n1 ZINC001164971696 722157704 /nfs/dbraw/zinc/15/77/04/722157704.db2.gz DACJLNKZOZZCOM-PKOBYXMFSA-N 0 3 408.506 1.575 20 0 HDADHN CN(C)C(=O)Cn1c(=O)ccc2c1CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164992170 722188799 /nfs/dbraw/zinc/18/87/99/722188799.db2.gz XFCBUDRILYVLKT-UHFFFAOYSA-N 0 3 409.534 1.533 20 0 HDADHN Cc1nc(N2CCCC2)cc(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)n1 ZINC001164996445 722229926 /nfs/dbraw/zinc/22/99/26/722229926.db2.gz HPKBYULZUPWUPI-UHFFFAOYSA-N 0 3 408.554 1.532 20 0 HDADHN CN1CCN(c2ncnc3c2CCN(c2cc(Cl)nc4c2CCNC4)CC3)CC1 ZINC001165002614 722236484 /nfs/dbraw/zinc/23/64/84/722236484.db2.gz WFDWDVGHDSGAPY-UHFFFAOYSA-N 0 3 413.957 1.528 20 0 HDADHN C[C@H](CNC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)CN1CCN(C)CC1 ZINC000509097354 1073521565 /nfs/dbraw/zinc/52/15/65/1073521565.db2.gz JMKBSUTXVRQGFJ-ZTNFWEORSA-N 0 3 421.973 1.795 20 0 HDADHN C[C@H](CNC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)CN1CCN(C)CC1 ZINC000509097352 1073521694 /nfs/dbraw/zinc/52/16/94/1073521694.db2.gz JMKBSUTXVRQGFJ-XFQXTVEOSA-N 0 3 421.973 1.795 20 0 HDADHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000673650487 1073549610 /nfs/dbraw/zinc/54/96/10/1073549610.db2.gz VOAGLPOMSRHGIV-QGZVFWFLSA-N 0 3 415.538 1.937 20 0 HDADHN COc1nn(C)cc1NC(=O)C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC000475172319 1073557872 /nfs/dbraw/zinc/55/78/72/1073557872.db2.gz GZLIIMVSZGPMPF-UHFFFAOYSA-N 0 3 401.467 1.135 20 0 HDADHN O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC[C@@H]1CCCCN1C1CC1 ZINC000429104042 1073589095 /nfs/dbraw/zinc/58/90/95/1073589095.db2.gz OUIWRFIWVLBXCU-IBGZPJMESA-N 0 3 413.522 1.075 20 0 HDADHN CN(C)CCN1C[C@H](C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)CC1=O ZINC000673659537 1073608728 /nfs/dbraw/zinc/60/87/28/1073608728.db2.gz UNTMUOZRNIKTTR-GOSISDBHSA-N 0 3 411.506 1.853 20 0 HDADHN C[C@H]1C[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C(=O)N1c1cnn(C)c1 ZINC000673684612 1073639686 /nfs/dbraw/zinc/63/96/86/1073639686.db2.gz BEILJMOPHFZHAS-PXNSSMCTSA-N 0 3 410.522 1.242 20 0 HDADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000673700899 1073644296 /nfs/dbraw/zinc/64/42/96/1073644296.db2.gz XESYACYFZOSMSV-WOJBJXKFSA-N 0 3 400.523 1.237 20 0 HDADHN CN(C(=O)NCCCN1CCCS1(=O)=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000673705159 1073645654 /nfs/dbraw/zinc/64/56/54/1073645654.db2.gz NAQIGBWTMHOHHQ-IBGZPJMESA-N 0 3 408.568 1.718 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000673753672 1073686328 /nfs/dbraw/zinc/68/63/28/1073686328.db2.gz OYZWRUYBKWZIKU-SFHVURJKSA-N 0 3 416.547 1.825 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000673755842 1073691332 /nfs/dbraw/zinc/69/13/32/1073691332.db2.gz VUVNNKHMZIDJLH-HXUWFJFHSA-N 0 3 408.550 1.722 20 0 HDADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000673750727 1073694236 /nfs/dbraw/zinc/69/42/36/1073694236.db2.gz FEBWKSBYQUBXPJ-FXAWDEMLSA-N 0 3 400.523 1.237 20 0 HDADHN CCS(=O)(=O)N1CC(CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000429125323 1073694873 /nfs/dbraw/zinc/69/48/73/1073694873.db2.gz YXZBLSCSPSHQDX-UHFFFAOYSA-N 0 3 408.568 1.404 20 0 HDADHN CCN1CCN(CCNC(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CC1 ZINC000509139953 1073705128 /nfs/dbraw/zinc/70/51/28/1073705128.db2.gz DSOICZBEKBPQHU-FQEVSTJZSA-N 0 3 403.502 1.108 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCCN1CCCS1(=O)=O ZINC000673773959 1073708420 /nfs/dbraw/zinc/70/84/20/1073708420.db2.gz YVWUEWZGAUPKJD-GOSISDBHSA-N 0 3 408.568 1.718 20 0 HDADHN CNC(=O)CN1CCC(NC(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000673769156 1073713231 /nfs/dbraw/zinc/71/32/31/1073713231.db2.gz OXLONCHKKAEYDG-SFHVURJKSA-N 0 3 401.555 1.503 20 0 HDADHN COc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1S(=O)(=O)N(C)C ZINC000069344470 1073718331 /nfs/dbraw/zinc/71/83/31/1073718331.db2.gz NZDQZJNEWUILBU-KRWDZBQOSA-N 0 3 405.520 1.978 20 0 HDADHN CC(C)NS(=O)(=O)NCCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000429136469 1073744676 /nfs/dbraw/zinc/74/46/76/1073744676.db2.gz XCSLUSXIIVPIGM-UHFFFAOYSA-N 0 3 419.979 1.246 20 0 HDADHN O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@@H]2CCCN2c2ncccn2)cc1 ZINC000673839352 1073803373 /nfs/dbraw/zinc/80/33/73/1073803373.db2.gz ZXGSROZFRNWHDN-IBGZPJMESA-N 0 3 408.506 1.910 20 0 HDADHN C[C@H](NC(=O)CNC(=O)CN[C@@H](CC(N)=O)C1CCCCC1)c1ccc(F)cc1 ZINC000543493383 1073817986 /nfs/dbraw/zinc/81/79/86/1073817986.db2.gz HUASCGIWZMXXAX-KSSFIOAISA-N 0 3 406.502 1.533 20 0 HDADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000466542311 1073832411 /nfs/dbraw/zinc/83/24/11/1073832411.db2.gz QKQWBOMJPNQTII-QGZVFWFLSA-N 0 3 424.977 1.003 20 0 HDADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000466542306 1073832493 /nfs/dbraw/zinc/83/24/93/1073832493.db2.gz QKQWBOMJPNQTII-KRWDZBQOSA-N 0 3 424.977 1.003 20 0 HDADHN NC(=O)C[C@@H](NCC(=O)Nc1cc(-n2cnnn2)ccc1Cl)C1CCCCC1 ZINC000543494722 1073836234 /nfs/dbraw/zinc/83/62/34/1073836234.db2.gz PUDMCZZNJLNVSF-OAHLLOKOSA-N 0 3 405.890 1.668 20 0 HDADHN CC(C)OCCN1CCC(NC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000673879576 1073850752 /nfs/dbraw/zinc/85/07/52/1073850752.db2.gz ABSMDRRDXZRHLB-MAUKXSAKSA-N 0 3 406.531 1.103 20 0 HDADHN O=C(NCc1nnnn1-c1ccccc1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000673879195 1073851263 /nfs/dbraw/zinc/85/12/63/1073851263.db2.gz WQSOQRSHVMLFKS-QUCCMNQESA-N 0 3 421.505 1.345 20 0 HDADHN C[C@H](NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000543496537 1073857492 /nfs/dbraw/zinc/85/74/92/1073857492.db2.gz RFFRSPMMVASALU-MNOVXSKESA-N 0 3 412.412 1.650 20 0 HDADHN CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000673908193 1073876385 /nfs/dbraw/zinc/87/63/85/1073876385.db2.gz OVYYIKMDLOHIOT-GOSISDBHSA-N 0 3 411.568 1.454 20 0 HDADHN CC[C@H]1Oc2cc([C@@H](C)NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)N4C)ccc2NC1=O ZINC000670438096 1073952960 /nfs/dbraw/zinc/95/29/60/1073952960.db2.gz JQMWBTHJKZAYDW-NYCLONFESA-N 0 3 414.506 1.668 20 0 HDADHN CC1(C)CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2OC[C@@H]4COCC[C@H]24)C3)C1 ZINC001005046244 1073984318 /nfs/dbraw/zinc/98/43/18/1073984318.db2.gz HTIPZEIKAFTTCS-ZNIMCQAWSA-N 0 3 405.539 1.018 20 0 HDADHN C[C@@H](NC(=O)[C@@H](c1ccccc1)N1CCN(C)CC1)C(=O)NCCN1CCCCC1 ZINC000670445092 1074000282 /nfs/dbraw/zinc/00/02/82/1074000282.db2.gz USHCQKMCGJEBLB-TZIWHRDSSA-N 0 3 415.582 1.082 20 0 HDADHN Cc1c(C(=O)NCC(C)(C)S(C)(=O)=O)nnn1-c1cccc2c1CCN(C)C2 ZINC000673996773 1074019188 /nfs/dbraw/zinc/01/91/88/1074019188.db2.gz YBAWJUWHXPZRBY-UHFFFAOYSA-N 0 3 405.524 1.117 20 0 HDADHN O=C(NC1CCN(c2cccnn2)CC1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000429196403 1074051662 /nfs/dbraw/zinc/05/16/62/1074051662.db2.gz GHFVNIPEMLVYBW-CTNGQTDRSA-N 0 3 424.549 1.628 20 0 HDADHN O=C(NC1CCN(c2cccnn2)CC1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000429196405 1074051765 /nfs/dbraw/zinc/05/17/65/1074051765.db2.gz GHFVNIPEMLVYBW-FPOVZHCZSA-N 0 3 424.549 1.628 20 0 HDADHN O=S1(=O)C[C@@H](NCCCc2ccc(C(F)(F)F)cc2)[C@H](N2CCOCC2)C1 ZINC000674006669 1074054441 /nfs/dbraw/zinc/05/44/41/1074054441.db2.gz YGYLOQLFNJZYKN-IAGOWNOFSA-N 0 3 406.470 1.725 20 0 HDADHN Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000059003808 1074088981 /nfs/dbraw/zinc/08/89/81/1074088981.db2.gz XMZISQDGMJUGFL-UHFFFAOYSA-N 0 3 418.475 1.364 20 0 HDADHN Cc1ccc(NC(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c(=O)[nH]1 ZINC000543558422 1074098672 /nfs/dbraw/zinc/09/86/72/1074098672.db2.gz LNXVJJQZOIYIBT-IYBDPMFKSA-N 0 3 404.511 1.772 20 0 HDADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)CCSC1 ZINC000674039603 1074111916 /nfs/dbraw/zinc/11/19/16/1074111916.db2.gz DEAXAMQTUHPZGD-HXUWFJFHSA-N 0 3 404.536 1.301 20 0 HDADHN CN(C)CCN(C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C ZINC000429214319 1074139300 /nfs/dbraw/zinc/13/93/00/1074139300.db2.gz XEJPEIUYUIZYFZ-UHFFFAOYSA-N 0 3 411.572 1.953 20 0 HDADHN COC(=O)NCc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000766058356 1074155563 /nfs/dbraw/zinc/15/55/63/1074155563.db2.gz CNSWSQVRUZGGJQ-KRWDZBQOSA-N 0 3 403.483 1.313 20 0 HDADHN Cc1c(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000674132539 1074188396 /nfs/dbraw/zinc/18/83/96/1074188396.db2.gz WQKJDCMCOSQSKG-SFHVURJKSA-N 0 3 424.549 1.358 20 0 HDADHN O=C(CN[C@H]1Cc2cccc(O)c2C1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000429224339 1074245448 /nfs/dbraw/zinc/24/54/48/1074245448.db2.gz BDVLYVIZKZOIEA-FQEVSTJZSA-N 0 3 407.514 1.728 20 0 HDADHN COC1CCN(CCNC(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)CC1 ZINC000674316489 1074265893 /nfs/dbraw/zinc/26/58/93/1074265893.db2.gz IORSCQSJONHXIR-UHFFFAOYSA-N 0 3 424.567 1.976 20 0 HDADHN COc1cccc(C[C@@H](C(=O)NCCN2CCC(OC)CC2)n2nnnc2C)c1 ZINC000674309977 1074267449 /nfs/dbraw/zinc/26/74/49/1074267449.db2.gz NJCGGIYMGUYKLX-IBGZPJMESA-N 0 3 402.499 1.001 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000674310011 1074267468 /nfs/dbraw/zinc/26/74/68/1074267468.db2.gz QHBIIJZVSRRDRX-OAHLLOKOSA-N 0 3 403.479 1.038 20 0 HDADHN COC1CCN(CCNC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000674310144 1074267533 /nfs/dbraw/zinc/26/75/33/1074267533.db2.gz UELQTHXEKBLWAB-UHFFFAOYSA-N 0 3 415.531 1.453 20 0 HDADHN COC1CCN(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000674310623 1074268966 /nfs/dbraw/zinc/26/89/66/1074268966.db2.gz KHRZOLCBVLLNFN-OAHLLOKOSA-N 0 3 401.554 1.128 20 0 HDADHN COCCN1CCC(NC(=O)N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)CC1 ZINC000140409776 1074269150 /nfs/dbraw/zinc/26/91/50/1074269150.db2.gz ZBRFSYMDNOKZPF-UHFFFAOYSA-N 0 3 406.502 1.712 20 0 HDADHN COc1cc(OC)cc(N2CC[C@H](NC(=O)NCCN3CCC(OC)CC3)C2=O)c1 ZINC000674332996 1074286636 /nfs/dbraw/zinc/28/66/36/1074286636.db2.gz RNMSFZICTWNROL-IBGZPJMESA-N 0 3 420.510 1.219 20 0 HDADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000674397626 1074311187 /nfs/dbraw/zinc/31/11/87/1074311187.db2.gz HAWHOXNTKSPJAR-NHCUHLMSSA-N 0 3 404.555 1.548 20 0 HDADHN CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCCCN2CCc3ccccc3C2)C1=O ZINC000674425293 1074327107 /nfs/dbraw/zinc/32/71/07/1074327107.db2.gz YVQMHOCGJAIHTD-PGRDOPGGSA-N 0 3 413.522 1.455 20 0 HDADHN COC[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000674479747 1074379375 /nfs/dbraw/zinc/37/93/75/1074379375.db2.gz VDLFUDUBIXHINF-RTBURBONSA-N 0 3 416.522 1.429 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1c(F)c(F)cc(F)c1F ZINC000674624526 1074483371 /nfs/dbraw/zinc/48/33/71/1074483371.db2.gz HBTUNIAFNMXXMG-CQSZACIVSA-N 0 3 404.408 1.985 20 0 HDADHN C[C@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)c1noc(-c2ccccc2)n1 ZINC000674614261 1074484837 /nfs/dbraw/zinc/48/48/37/1074484837.db2.gz OKPDJYVZMIEHEO-INIZCTEOSA-N 0 3 414.510 1.010 20 0 HDADHN CN(C)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000674637985 1074497690 /nfs/dbraw/zinc/49/76/90/1074497690.db2.gz BJZDGISXYMQUIQ-IFXJQAMLSA-N 0 3 407.540 1.542 20 0 HDADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000674639361 1074498315 /nfs/dbraw/zinc/49/83/15/1074498315.db2.gz SYYTVIOCBAKPPK-IIBYNOLFSA-N 0 3 419.501 1.619 20 0 HDADHN COC(=O)c1cc(Cl)cc(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000766065014 1074543564 /nfs/dbraw/zinc/54/35/64/1074543564.db2.gz MTNQGICHFGLVBB-INIZCTEOSA-N 0 3 408.886 1.897 20 0 HDADHN CN(C)C(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)ccn1 ZINC000674764271 1074558119 /nfs/dbraw/zinc/55/81/19/1074558119.db2.gz UKHTVXWMNDRLDW-GOSISDBHSA-N 0 3 409.490 1.455 20 0 HDADHN O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000674887811 1074603984 /nfs/dbraw/zinc/60/39/84/1074603984.db2.gz OGMWNCSVAZBYGX-GOSISDBHSA-N 0 3 412.465 1.575 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1 ZINC000509237666 1074617841 /nfs/dbraw/zinc/61/78/41/1074617841.db2.gz SCYWQJGPCYVXBJ-UHFFFAOYSA-N 0 3 403.405 1.824 20 0 HDADHN O=C(NCc1ccccc1CN1CCC(O)CC1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000674985741 1074660140 /nfs/dbraw/zinc/66/01/40/1074660140.db2.gz JGHAUARNCOJGLP-NHCUHLMSSA-N 0 3 403.523 1.733 20 0 HDADHN O=C(NCc1ccccc1CN1CCC(O)CC1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000674985739 1074660214 /nfs/dbraw/zinc/66/02/14/1074660214.db2.gz JGHAUARNCOJGLP-LEWJYISDSA-N 0 3 403.523 1.733 20 0 HDADHN COc1cc(OC)cc(N2CC[C@@H](CNC(=O)NCCN3CCC(OC)CC3)C2)c1 ZINC000674993224 1074668819 /nfs/dbraw/zinc/66/88/19/1074668819.db2.gz TWGPCBFDZGFSQP-KRWDZBQOSA-N 0 3 420.554 1.940 20 0 HDADHN COC(=O)C1CCN(CCCNc2ncc(I)cn2)CC1 ZINC000547328928 1074694671 /nfs/dbraw/zinc/69/46/71/1074694671.db2.gz PXJLJHCCDRPKSL-UHFFFAOYSA-N 0 3 404.252 1.768 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccc(C(=O)NC)c(Cl)c2)CC1 ZINC000509238874 1074695181 /nfs/dbraw/zinc/69/51/81/1074695181.db2.gz ZGFKNKCROKQKQT-UHFFFAOYSA-N 0 3 409.918 1.718 20 0 HDADHN CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)CCN2C1=O ZINC000675102386 1074719141 /nfs/dbraw/zinc/71/91/41/1074719141.db2.gz YCBCZLKAHCQCBE-OALUTQOASA-N 0 3 413.522 1.892 20 0 HDADHN CCN1C(=O)[C@H]2CN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)CCN2C1=O ZINC000675102388 1074719188 /nfs/dbraw/zinc/71/91/88/1074719188.db2.gz YCBCZLKAHCQCBE-RTBURBONSA-N 0 3 413.522 1.892 20 0 HDADHN C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)CN1Cc1ccccc1 ZINC000675107626 1074722613 /nfs/dbraw/zinc/72/26/13/1074722613.db2.gz XECTXBUFQOBFIS-OBUYZQBDSA-N 0 3 413.522 1.669 20 0 HDADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000606009895 1074725623 /nfs/dbraw/zinc/72/56/23/1074725623.db2.gz KNMKIBYZUQJXNN-UHFFFAOYSA-N 0 3 418.501 1.830 20 0 HDADHN Cc1cc(NC(=O)C(=O)NCCCCN2CCN(C)CC2)nn1C1CCCCC1 ZINC000582636240 1074743606 /nfs/dbraw/zinc/74/36/06/1074743606.db2.gz NNRVBAJNIQASEZ-UHFFFAOYSA-N 0 3 404.559 1.779 20 0 HDADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670494248 1074749075 /nfs/dbraw/zinc/74/90/75/1074749075.db2.gz FDAZJPRWWGBALW-UHFFFAOYSA-N 0 3 415.365 1.748 20 0 HDADHN COC(=O)Cn1ccc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)n1 ZINC000467921548 1074751373 /nfs/dbraw/zinc/75/13/73/1074751373.db2.gz XWGBARNGMQEIEQ-UHFFFAOYSA-N 0 3 403.405 1.983 20 0 HDADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@@H](C)O1 ZINC000670503103 1074819645 /nfs/dbraw/zinc/81/96/45/1074819645.db2.gz CJWTUBUTEHRECS-QCFAMHMHSA-N 0 3 416.566 1.506 20 0 HDADHN Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429337299 1075102599 /nfs/dbraw/zinc/10/25/99/1075102599.db2.gz XWZQMULDEKKPJR-GOSISDBHSA-N 0 3 409.490 1.281 20 0 HDADHN CCCN(CCN1CCCCCC1)C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000564180851 1075120703 /nfs/dbraw/zinc/12/07/03/1075120703.db2.gz VHPZDGMTCZYNPG-UHFFFAOYSA-N 0 3 403.449 2.499 20 0 HDADHN CCN1CCN(Cc2ccccc2CNS(=O)(=O)c2ccc(OC)nc2)CC1 ZINC000429252390 1075146062 /nfs/dbraw/zinc/14/60/62/1075146062.db2.gz HDCRWAAVVXQQFT-UHFFFAOYSA-N 0 3 404.536 1.706 20 0 HDADHN CCO[C@H]1C[C@@H](NCC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C1(CC)CC ZINC000429347578 1075154051 /nfs/dbraw/zinc/15/40/51/1075154051.db2.gz WRFVZROIVOZPGL-SJORKVTESA-N 0 3 413.540 1.855 20 0 HDADHN Cc1nn(C)c2ncc(S(=O)(=O)N3C[C@H](CN(C)C)Oc4ccccc43)cc12 ZINC000675470951 1075165650 /nfs/dbraw/zinc/16/56/50/1075165650.db2.gz HKVTWWXHBOTOIC-AWEZNQCLSA-N 0 3 401.492 1.795 20 0 HDADHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c2ccccc2O1 ZINC000675471024 1075167698 /nfs/dbraw/zinc/16/76/98/1075167698.db2.gz WKQGERONCKWOPJ-CYBMUJFWSA-N 0 3 403.460 1.535 20 0 HDADHN COCCN1CCC(NC(=O)C(=O)Nc2nn([C@H](C)c3ccccc3)cc2C)CC1 ZINC000472406920 1075170698 /nfs/dbraw/zinc/17/06/98/1075170698.db2.gz KJLAAVSNDMGLQL-QGZVFWFLSA-N 0 3 413.522 1.966 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)Cn2cc(Br)ccc2=O)c2ccccc2O1 ZINC000675490044 1075175029 /nfs/dbraw/zinc/17/50/29/1075175029.db2.gz NGIXZCPFWLDXFK-AWEZNQCLSA-N 0 3 406.280 1.967 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000675491435 1075175606 /nfs/dbraw/zinc/17/56/06/1075175606.db2.gz MIGXRRRGCQUXJS-MRXNPFEDSA-N 0 3 403.504 1.663 20 0 HDADHN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1C[C@@H](CN(C)C)Oc3ccccc31)C2=O ZINC000675491517 1075175654 /nfs/dbraw/zinc/17/56/54/1075175654.db2.gz KSYPWNJYZAKSID-XCGNWRKASA-N 0 3 414.506 1.843 20 0 HDADHN C[C@@H](C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21)N1C(=O)NC2(CCCC2)C1=O ZINC000675491934 1075175997 /nfs/dbraw/zinc/17/59/97/1075175997.db2.gz VYSLHFKJKMAQBM-LSDHHAIUSA-N 0 3 400.479 1.595 20 0 HDADHN C[C@H](C(=O)N1C[C@H](CN(C)C)Oc2ccccc21)N1C(=O)NC2(CCCC2)C1=O ZINC000675491931 1075176032 /nfs/dbraw/zinc/17/60/32/1075176032.db2.gz VYSLHFKJKMAQBM-CABCVRRESA-N 0 3 400.479 1.595 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)c2ccccc2O1 ZINC000675511907 1075191116 /nfs/dbraw/zinc/19/11/16/1075191116.db2.gz ZBUXWYVSYPMKMI-ZHRRBRCNSA-N 0 3 408.458 1.711 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2F)c2ccccc2O1 ZINC000675512470 1075191517 /nfs/dbraw/zinc/19/15/17/1075191517.db2.gz PMJWCQURZFNHCI-HNNXBMFYSA-N 0 3 421.494 1.850 20 0 HDADHN O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000437502926 1075192968 /nfs/dbraw/zinc/19/29/68/1075192968.db2.gz WOADVHDFTQUGNV-LJQANCHMSA-N 0 3 410.522 1.936 20 0 HDADHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000675538425 1075195010 /nfs/dbraw/zinc/19/50/10/1075195010.db2.gz GLLSDWFDTZRNBI-QUCCMNQESA-N 0 3 421.563 1.518 20 0 HDADHN COc1cccc(C[C@H](C(=O)NC2CCN([C@H]3CCOC3)CC2)n2nnnc2C)c1 ZINC000675541233 1075196904 /nfs/dbraw/zinc/19/69/04/1075196904.db2.gz MDGCFZRDXGRJLT-AZUAARDMSA-N 0 3 414.510 1.143 20 0 HDADHN CN(CC(=O)NC1CCN([C@@H]2CCOC2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000675541004 1075197230 /nfs/dbraw/zinc/19/72/30/1075197230.db2.gz KBYSYJNZIXBBDG-MRXNPFEDSA-N 0 3 415.943 1.330 20 0 HDADHN CN1CCN(c2ncc(CN[C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cn2)CC1 ZINC000675552497 1075207325 /nfs/dbraw/zinc/20/73/25/1075207325.db2.gz GEDNCYHAJIVBKQ-QZTJIDSGSA-N 0 3 409.456 1.853 20 0 HDADHN CCN1CCC[C@H]1CNC(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000550838609 1075229794 /nfs/dbraw/zinc/22/97/94/1075229794.db2.gz HXQWHUHBOZXRBF-AWEZNQCLSA-N 0 3 401.433 1.619 20 0 HDADHN CS(=O)(=O)N1CCC(NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1 ZINC000675739247 1075261666 /nfs/dbraw/zinc/26/16/66/1075261666.db2.gz RWXHQEHTIRBALH-UHFFFAOYSA-N 0 3 411.837 1.915 20 0 HDADHN CNS(=O)(=O)Cc1ccc(CN[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000675764228 1075268330 /nfs/dbraw/zinc/26/83/30/1075268330.db2.gz GMNZLDKVQXHBLV-AWEZNQCLSA-N 0 3 411.549 1.958 20 0 HDADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)o1 ZINC000527104733 1075276506 /nfs/dbraw/zinc/27/65/06/1075276506.db2.gz YYZBMVLGVSOKGX-UHFFFAOYSA-N 0 3 410.478 1.757 20 0 HDADHN COc1cc(OC)c([C@@H](C)NCCN2CCN(S(C)(=O)=O)CC2)cc1Cl ZINC000675819029 1075277261 /nfs/dbraw/zinc/27/72/61/1075277261.db2.gz JYQWKJDSPJXHTH-CYBMUJFWSA-N 0 3 405.948 1.585 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000509375869 1075311796 /nfs/dbraw/zinc/31/17/96/1075311796.db2.gz XUDJJOYCEKNGMN-KRWDZBQOSA-N 0 3 413.526 1.524 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H]([S@](=O)CC)C2)CC1 ZINC000429385211 1075317120 /nfs/dbraw/zinc/31/71/20/1075317120.db2.gz HJPJGLBYOJADFC-DDWQGHIRSA-N 0 3 400.589 1.262 20 0 HDADHN COc1ccc2c(c1)OCC[C@@H]2NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000675996756 1075320620 /nfs/dbraw/zinc/32/06/20/1075320620.db2.gz VBBZWBAMXMGPHV-ROUUACIJSA-N 0 3 402.495 1.467 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cccc(COC3CCOCC3)c2)CC1 ZINC000676044623 1075339355 /nfs/dbraw/zinc/33/93/55/1075339355.db2.gz FPBCFHUNHFWEMT-OAQYLSRUSA-N 0 3 415.534 1.937 20 0 HDADHN COC(=O)[C@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)[C@H](C(=O)OC)C1 ZINC000509379216 1075340014 /nfs/dbraw/zinc/34/00/14/1075340014.db2.gz GZAYAALPMDLGOK-HKUYNNGSSA-N 0 3 417.506 1.152 20 0 HDADHN Cc1c(C(=O)NC2CCC3(CC2)OCCO3)nnn1-c1cccc2c1CCN(C)C2 ZINC000731459949 1075356113 /nfs/dbraw/zinc/35/61/13/1075356113.db2.gz MYIGXMOBQXKYSR-UHFFFAOYSA-N 0 3 411.506 1.979 20 0 HDADHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)C1 ZINC000731466055 1075357307 /nfs/dbraw/zinc/35/73/07/1075357307.db2.gz PLBVQWPPGGATIZ-KOSHJBKYSA-N 0 3 418.497 1.899 20 0 HDADHN COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)[C@@H](C(=O)OC)C1 ZINC000509380913 1075357333 /nfs/dbraw/zinc/35/73/33/1075357333.db2.gz RLMZGTOWXFOSLW-ZIFCJYIRSA-N 0 3 420.481 1.991 20 0 HDADHN CCn1c(=O)c2ccccc2n(CC(=O)N2C[C@@H](N(C)C)Cc3ccccc32)c1=O ZINC000731469083 1075358170 /nfs/dbraw/zinc/35/81/70/1075358170.db2.gz NKHQJIXXYHFKPV-KRWDZBQOSA-N 0 3 406.486 1.703 20 0 HDADHN CN(C)[C@H]1Cc2ccccc2N(C(=O)CSc2nnnn2CC(F)(F)F)C1 ZINC000731469781 1075358470 /nfs/dbraw/zinc/35/84/70/1075358470.db2.gz XGSCEJZYYYJAIS-LBPRGKRZSA-N 0 3 400.430 1.847 20 0 HDADHN COC(=O)N1CCC[C@@H](NC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)C1 ZINC000731473820 1075359729 /nfs/dbraw/zinc/35/97/29/1075359729.db2.gz BRFLXVYNRJKBGO-MRXNPFEDSA-N 0 3 412.494 1.524 20 0 HDADHN O=C(Nc1cnn(-c2ccncc2)c1)C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000676098730 1075363403 /nfs/dbraw/zinc/36/34/03/1075363403.db2.gz VMNQDQQUIONLNJ-UHFFFAOYSA-N 0 3 412.494 1.167 20 0 HDADHN CC(C)CNC(=O)C1CCN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000731487247 1075367000 /nfs/dbraw/zinc/36/70/00/1075367000.db2.gz HKYAHPVAKZGRPQ-SFHVURJKSA-N 0 3 402.495 1.348 20 0 HDADHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000804087442 1075377831 /nfs/dbraw/zinc/37/78/31/1075377831.db2.gz JLHMAKKSYMQTGD-ZACQAIPSSA-N 0 3 408.543 1.539 20 0 HDADHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000804089693 1075381379 /nfs/dbraw/zinc/38/13/79/1075381379.db2.gz XXRYFMJXOBKKDW-BBWFWOEESA-N 0 3 408.543 1.635 20 0 HDADHN CN1CCN(C(=O)CN[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC1 ZINC000429399086 1075411889 /nfs/dbraw/zinc/41/18/89/1075411889.db2.gz VZUZNMHEGAAUGG-DENIHFKCSA-N 0 3 413.493 1.940 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)N[C@H](C)[C@H]3CN(C)CCO3)cc2)CC1 ZINC000676243102 1075444555 /nfs/dbraw/zinc/44/45/55/1075444555.db2.gz IKHMWYKDJSYDNX-WIYYLYMNSA-N 0 3 403.571 1.342 20 0 HDADHN O=C(NCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccn[nH]1 ZINC000509395064 1075464368 /nfs/dbraw/zinc/46/43/68/1075464368.db2.gz UHHQUIAIIPBSNF-GOSISDBHSA-N 0 3 409.412 1.710 20 0 HDADHN CS(=O)(=O)CCN1CCC(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000731683018 1075465962 /nfs/dbraw/zinc/46/59/62/1075465962.db2.gz YCXBIRMYLGLCIM-HXUWFJFHSA-N 0 3 422.595 1.459 20 0 HDADHN COc1cccc(Cc2nnc(NC(=O)NC[C@@H](C)CN3CCN(C)CC3)s2)c1 ZINC000466150824 1075477531 /nfs/dbraw/zinc/47/75/31/1075477531.db2.gz VOLRIEAPWPVGSR-OAHLLOKOSA-N 0 3 418.567 2.143 20 0 HDADHN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N[C@@H](CC(N)=O)C1CCOCC1 ZINC000544460197 1075487244 /nfs/dbraw/zinc/48/72/44/1075487244.db2.gz BGHWIXJYHTXLCA-WFASDCNBSA-N 0 3 411.524 1.820 20 0 HDADHN CCN(CC)CC(=O)N1CCN([C@@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 ZINC000466726322 1075502467 /nfs/dbraw/zinc/50/24/67/1075502467.db2.gz IIAYAHXAFGNTGJ-MRXNPFEDSA-N 0 3 422.551 1.126 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)NCCS(=O)(=O)NCC3CCC3)cc2)CC1 ZINC000731751395 1075507650 /nfs/dbraw/zinc/50/76/50/1075507650.db2.gz JZNXDZNPNGHJAQ-UHFFFAOYSA-N 0 3 423.583 1.670 20 0 HDADHN CCCn1c2ccccc2n(CCC(=O)NC2CCN([C@H]3CCOC3)CC2)c1=O ZINC000676341795 1075515246 /nfs/dbraw/zinc/51/52/46/1075515246.db2.gz DECHSIPYLKMKNZ-SFHVURJKSA-N 0 3 400.523 1.973 20 0 HDADHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676345244 1075517926 /nfs/dbraw/zinc/51/79/26/1075517926.db2.gz NAIQRENTPZRUOI-MRXNPFEDSA-N 0 3 401.511 1.593 20 0 HDADHN CCOc1ccc(-n2ncc(C(=O)NC3CCN([C@@H]4CCOC4)CC3)c2C)nn1 ZINC000676344329 1075518582 /nfs/dbraw/zinc/51/85/82/1075518582.db2.gz AMBUJOKDIGJTGP-MRXNPFEDSA-N 0 3 400.483 1.353 20 0 HDADHN COc1cc(OC)cc(N2C[C@H](C(=O)NC3CCN([C@H]4CCOC4)CC3)CC2=O)c1 ZINC000676344572 1075518679 /nfs/dbraw/zinc/51/86/79/1075518679.db2.gz PJANQMHOTFCZKW-WBVHZDCISA-N 0 3 417.506 1.426 20 0 HDADHN COCCNC(=O)CSc1ccccc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676344367 1075518695 /nfs/dbraw/zinc/51/86/95/1075518695.db2.gz BNKAHTVZFPXUBT-QGZVFWFLSA-N 0 3 421.563 1.524 20 0 HDADHN O=C(CCNC(=O)N1CCc2ccccc2C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676345848 1075519052 /nfs/dbraw/zinc/51/90/52/1075519052.db2.gz VDOPLGJENLDBLK-HXUWFJFHSA-N 0 3 400.523 1.514 20 0 HDADHN Cc1nc(NCCN2CCOC(C)(C)C2)cc(NCCN2CCOC(C)(C)C2)n1 ZINC000532780475 1075524104 /nfs/dbraw/zinc/52/41/04/1075524104.db2.gz PHEDKJRQQPKPNW-UHFFFAOYSA-N 0 3 406.575 1.830 20 0 HDADHN C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCC(=O)NCC(=O)N1CCCC1 ZINC000731847565 1075530816 /nfs/dbraw/zinc/53/08/16/1075530816.db2.gz WKLTXRBYNYBFQJ-IERDGZPVSA-N 0 3 410.559 1.788 20 0 HDADHN CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000731851207 1075533142 /nfs/dbraw/zinc/53/31/42/1075533142.db2.gz LYUIMKJIMFNPDM-HNNXBMFYSA-N 0 3 404.554 1.215 20 0 HDADHN Cc1ccc(S(=O)(=O)n2ccc(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)c2)cc1 ZINC000731878068 1075550191 /nfs/dbraw/zinc/55/01/91/1075550191.db2.gz FIZZWVRQTSQNTP-ROUUACIJSA-N 0 3 403.504 1.627 20 0 HDADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)C1 ZINC000676452521 1075558648 /nfs/dbraw/zinc/55/86/48/1075558648.db2.gz CKDIZXVNIMWXEF-TZIWHRDSSA-N 0 3 420.513 1.962 20 0 HDADHN CN(C)CCN1C[C@H](C(=O)N2CCc3sc(Br)cc3C2)CC1=O ZINC000676478816 1075566023 /nfs/dbraw/zinc/56/60/23/1075566023.db2.gz MJKPMDDDQSSIRD-GFCCVEGCSA-N 0 3 400.342 1.805 20 0 HDADHN C[C@@H](CNC(=O)Nc1nnc(Cc2cccc(F)c2)s1)CN1CCN(C)CC1 ZINC000438027046 1075575178 /nfs/dbraw/zinc/57/51/78/1075575178.db2.gz OECNBLJVMGBPIT-AWEZNQCLSA-N 0 3 406.531 2.273 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)/C=C\c3cncc(C(=O)NC)c3)cc2)CC1 ZINC000732058251 1075596912 /nfs/dbraw/zinc/59/69/12/1075596912.db2.gz QUHRUVMIOMGFHK-HJWRWDBZSA-N 0 3 421.545 1.908 20 0 HDADHN COC1(CNC(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CCOCC1 ZINC000676564624 1075602576 /nfs/dbraw/zinc/60/25/76/1075602576.db2.gz BZFAIAZBCFTYBU-HXUWFJFHSA-N 0 3 404.555 1.860 20 0 HDADHN COc1cccc(/C=C(\C(=O)N(C)CCCN2CCN(C)CC2)n2nnnc2C)c1 ZINC000732115057 1075628616 /nfs/dbraw/zinc/62/86/16/1075628616.db2.gz WNMQLSIVCLQUOY-CAPFRKAQSA-N 0 3 413.526 1.084 20 0 HDADHN CC(C)n1ncc2cc(C=CC(=O)N(C)CCCN3CCN(C)CC3)c(=O)[nH]c21 ZINC000732114455 1075635964 /nfs/dbraw/zinc/63/59/64/1075635964.db2.gz MUCBUKIQJMKNSS-VOTSOKGWSA-N 0 3 400.527 1.415 20 0 HDADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@H](C)C3)CC2)c1 ZINC000028903878 1075689116 /nfs/dbraw/zinc/68/91/16/1075689116.db2.gz LDUADIWQZLUOQR-INIZCTEOSA-N 0 3 407.536 1.454 20 0 HDADHN COc1cccc(-c2noc(SCC(=O)NC[C@H](C)CN3CCN(C)CC3)n2)c1 ZINC000543586468 1075706762 /nfs/dbraw/zinc/70/67/62/1075706762.db2.gz CRXSNXUTKWRYPK-HNNXBMFYSA-N 0 3 419.551 1.837 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000438274603 1075714056 /nfs/dbraw/zinc/71/40/56/1075714056.db2.gz SYDDEQZTMRIEKS-SFHVURJKSA-N 0 3 413.526 1.585 20 0 HDADHN C[C@@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)C[C@@H](C)C1 ZINC000560151788 1075716617 /nfs/dbraw/zinc/71/66/17/1075716617.db2.gz NJRYWXAHIUGJBW-SCTDSRPQSA-N 0 3 410.522 1.648 20 0 HDADHN COC(=O)c1cc(S(=O)(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c(C)o1 ZINC000543685747 1075717686 /nfs/dbraw/zinc/71/76/86/1075717686.db2.gz NKKTXFPDGUNSCK-UHFFFAOYSA-N 0 3 413.540 1.413 20 0 HDADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)Nc1ccn(C)n1 ZINC000606049895 1075721941 /nfs/dbraw/zinc/72/19/41/1075721941.db2.gz BJKZNVMCPSOGPG-UHFFFAOYSA-N 0 3 408.300 1.712 20 0 HDADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000475865667 1075722929 /nfs/dbraw/zinc/72/29/29/1075722929.db2.gz RCHILOHSGUMTKU-UHFFFAOYSA-N 0 3 407.906 1.615 20 0 HDADHN O=C1CCCN1C[C@H]1CCCCN1C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000732413212 1075738648 /nfs/dbraw/zinc/73/86/48/1075738648.db2.gz QVHKMYNAHVUMAW-MSOLQXFVSA-N 0 3 400.479 1.341 20 0 HDADHN COC(=O)c1ccc(OC[C@H](O)CN2CCCC[C@@H]2CN2CCCC2=O)c(OC)c1 ZINC000732413437 1075739078 /nfs/dbraw/zinc/73/90/78/1075739078.db2.gz UWCOHUAESBNDDI-QZTJIDSGSA-N 0 3 420.506 1.698 20 0 HDADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000468465737 1075741633 /nfs/dbraw/zinc/74/16/33/1075741633.db2.gz HUDZETOHHMHLAF-HXUWFJFHSA-N 0 3 420.517 1.748 20 0 HDADHN CN(C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCN(C2CC2)C1 ZINC000732450807 1075741718 /nfs/dbraw/zinc/74/17/18/1075741718.db2.gz ZNDXSMLXXWILLL-GOSISDBHSA-N 0 3 409.575 1.807 20 0 HDADHN CN(C)C[C@H](NC(=O)Nc1ccn(CCN2CCOCC2)n1)c1ccc(Cl)cc1 ZINC000554888415 1075742316 /nfs/dbraw/zinc/74/23/16/1075742316.db2.gz PXPWNQCXBVMVCM-SFHVURJKSA-N 0 3 420.945 2.293 20 0 HDADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000567275131 1075754056 /nfs/dbraw/zinc/75/40/56/1075754056.db2.gz XCLHSANLFABEHI-QGZVFWFLSA-N 0 3 406.490 1.902 20 0 HDADHN CS(=O)(=O)NCCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509445123 1075756580 /nfs/dbraw/zinc/75/65/80/1075756580.db2.gz AHFBXYNULQNRIS-MRXNPFEDSA-N 0 3 407.458 1.497 20 0 HDADHN C[C@H](CO)N1CCCN(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)CC1 ZINC000470606548 1075764311 /nfs/dbraw/zinc/76/43/11/1075764311.db2.gz NWDTZTZKLPYKMB-QGZVFWFLSA-N 0 3 404.511 1.608 20 0 HDADHN Nc1nsc(N2CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCC3(F)F)CC2)n1 ZINC000570706392 1075769884 /nfs/dbraw/zinc/76/98/84/1075769884.db2.gz WBDWUXMMZDSEET-HNNXBMFYSA-N 0 3 422.505 1.926 20 0 HDADHN CC(C)(C)c1nnc(NC(=O)C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)s1 ZINC000464121800 1075778082 /nfs/dbraw/zinc/77/80/82/1075778082.db2.gz KXGLHKTZPQLXET-AWEZNQCLSA-N 0 3 403.508 1.979 20 0 HDADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cccc(N3CCCCC3)c2)CC1 ZINC000142672965 1075785409 /nfs/dbraw/zinc/78/54/09/1075785409.db2.gz WUDRMANSWVUTTL-UHFFFAOYSA-N 0 3 401.555 1.759 20 0 HDADHN C[C@H]1C[C@@H]1c1cc(NC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)n[nH]1 ZINC000426269445 1075812859 /nfs/dbraw/zinc/81/28/59/1075812859.db2.gz WRWCBGQABPZWEJ-AAEUAGOBSA-N 0 3 412.450 1.580 20 0 HDADHN COC(=O)c1c(F)cccc1S(=O)(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000611025916 1075812995 /nfs/dbraw/zinc/81/29/95/1075812995.db2.gz LVPZKMJZDGUCNW-OAHLLOKOSA-N 0 3 413.515 1.401 20 0 HDADHN COC(=O)c1c(C)cccc1S(=O)(=O)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000611026889 1075813504 /nfs/dbraw/zinc/81/35/04/1075813504.db2.gz YMCCITZONLVTPQ-SJORKVTESA-N 0 3 410.536 1.828 20 0 HDADHN C[C@H]1C[C@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CN1Cc1ccccc1 ZINC000429257063 1075815056 /nfs/dbraw/zinc/81/50/56/1075815056.db2.gz NBCQDZYWVIXRLA-HOCLYGCPSA-N 0 3 422.489 2.161 20 0 HDADHN CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000611063956 1075822889 /nfs/dbraw/zinc/82/28/89/1075822889.db2.gz PQBCSJIOSYEUFS-GIVPXCGWSA-N 0 3 419.614 1.833 20 0 HDADHN Cc1ccc(S(=O)(=O)C[C@@H](C)NCCCN2CCN(c3ncccn3)CC2)cc1 ZINC000543603131 1075825741 /nfs/dbraw/zinc/82/57/41/1075825741.db2.gz YKVQFFGMWRSILC-LJQANCHMSA-N 0 3 417.579 1.749 20 0 HDADHN Cc1ccc(S(=O)(=O)C[C@H](C)NCCCN2CCN(c3ncccn3)CC2)cc1 ZINC000543603129 1075825783 /nfs/dbraw/zinc/82/57/83/1075825783.db2.gz YKVQFFGMWRSILC-IBGZPJMESA-N 0 3 417.579 1.749 20 0 HDADHN COC(=O)[C@]1(NC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)CCSC1 ZINC000611160427 1075863972 /nfs/dbraw/zinc/86/39/72/1075863972.db2.gz ADBHRSXKVZIMMT-FQEVSTJZSA-N 0 3 415.519 1.342 20 0 HDADHN COC(=O)c1cccc(S(=O)(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)c1C ZINC000611167752 1075865887 /nfs/dbraw/zinc/86/58/87/1075865887.db2.gz QUSWOJQVGVRHRA-UHFFFAOYSA-N 0 3 423.579 1.961 20 0 HDADHN COC(=O)c1cc(S(=O)(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)c(C)o1 ZINC000611167727 1075866034 /nfs/dbraw/zinc/86/60/34/1075866034.db2.gz KMBGOUKLIDZLRU-UHFFFAOYSA-N 0 3 413.540 1.554 20 0 HDADHN COc1c(C(=O)OCC(=O)N2CCCN(Cc3ccccc3C)CC2)c(C)nn1C ZINC000732853589 1075886427 /nfs/dbraw/zinc/88/64/27/1075886427.db2.gz YPNUDWFIBDNJLY-UHFFFAOYSA-N 0 3 414.506 1.937 20 0 HDADHN COC(=O)c1csc(NC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c1C ZINC000611461305 1075936214 /nfs/dbraw/zinc/93/62/14/1075936214.db2.gz SKCCWGIDABCRSH-OAHLLOKOSA-N 0 3 422.551 1.409 20 0 HDADHN O=C(NC1CC1)[C@@H](NCC1CCN(S(=O)(=O)C(F)F)CC1)c1ccccc1 ZINC000732987100 1075940105 /nfs/dbraw/zinc/94/01/05/1075940105.db2.gz SDCVZJFNLUTGNH-INIZCTEOSA-N 0 3 401.479 1.860 20 0 HDADHN COC(=O)C1CCN(CCCNC(=O)c2sc3nc(C)nc(N)c3c2C)CC1 ZINC000611503750 1075949869 /nfs/dbraw/zinc/94/98/69/1075949869.db2.gz DSJMXHWCDANIOE-UHFFFAOYSA-N 0 3 405.524 1.895 20 0 HDADHN Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)ccc1N1C(=O)CCC1=O ZINC000733046342 1075952854 /nfs/dbraw/zinc/95/28/54/1075952854.db2.gz PEDFUULSNCXSNP-HOCLYGCPSA-N 0 3 414.506 1.824 20 0 HDADHN Cc1cc(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)ccc1N1C(=O)CCC1=O ZINC000733045856 1075964435 /nfs/dbraw/zinc/96/44/35/1075964435.db2.gz CANYZHINAOBUOA-CQSZACIVSA-N 0 3 400.479 1.435 20 0 HDADHN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N(Cc1ccccc1)[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001079140502 1075965190 /nfs/dbraw/zinc/96/51/90/1075965190.db2.gz LRTNBOBNNDVAEZ-VNXMGFANSA-N 0 3 400.519 1.522 20 0 HDADHN CCCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001079140483 1075965269 /nfs/dbraw/zinc/96/52/69/1075965269.db2.gz KUTJUKLTDKRBLR-VNXMGFANSA-N 0 3 402.535 1.912 20 0 HDADHN CN1CCC(N(Cc2ccco2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000733156931 1075989549 /nfs/dbraw/zinc/98/95/49/1075989549.db2.gz KUVDPWFUNJYLJK-UHFFFAOYSA-N 0 3 417.487 1.547 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000733159788 1075992860 /nfs/dbraw/zinc/99/28/60/1075992860.db2.gz WOBKCAUXTSEUOA-AWEZNQCLSA-N 0 3 416.975 1.346 20 0 HDADHN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H](C)C3=CCN(C)CC3)C2)no1 ZINC000511227406 1075993219 /nfs/dbraw/zinc/99/32/19/1075993219.db2.gz BWBZLXLQNGJDLI-RHSMWYFYSA-N 0 3 404.515 1.415 20 0 HDADHN CCN1CCN(CCNC(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000733161006 1075993519 /nfs/dbraw/zinc/99/35/19/1075993519.db2.gz GITAWYQYGFJRKO-UHFFFAOYSA-N 0 3 407.316 1.397 20 0 HDADHN CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000733164342 1075997315 /nfs/dbraw/zinc/99/73/15/1075997315.db2.gz PJCAKADHCWSECR-UHFFFAOYSA-N 0 3 417.579 1.560 20 0 HDADHN CNS(=O)(=O)[C@H]1CCCN(Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000733301897 1076033674 /nfs/dbraw/zinc/03/36/74/1076033674.db2.gz XNORPYKLQFBWMO-LBPRGKRZSA-N 0 3 414.325 1.735 20 0 HDADHN CCOC(=O)N1CCN(C(=O)CN(C)C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000733309690 1076035280 /nfs/dbraw/zinc/03/52/80/1076035280.db2.gz LBRHPNXFDJWCFE-UHFFFAOYSA-N 0 3 416.522 1.524 20 0 HDADHN CCOc1ccc(NC(=O)CN[C@H](CC)CO)cc1S(=O)(=O)N1CCCCC1 ZINC000727059123 1076035536 /nfs/dbraw/zinc/03/55/36/1076035536.db2.gz VFYZQWKCTDUHMD-OAHLLOKOSA-N 0 3 413.540 1.559 20 0 HDADHN FC(F)(F)Cn1c(=S)n(CN2CCN(C3CCC3)CC2)nc1N1CCOCC1 ZINC000733297675 1076042308 /nfs/dbraw/zinc/04/23/08/1076042308.db2.gz NUSSYEDLRUWSJD-UHFFFAOYSA-N 0 3 420.505 1.941 20 0 HDADHN Cn1cnc2c1c(=O)n(CCCN(Cc1cccs1)C[C@@H]1CCCO1)c(=O)n2C ZINC000053135158 1076054624 /nfs/dbraw/zinc/05/46/24/1076054624.db2.gz YIKNIPBGOODVFZ-HNNXBMFYSA-N 0 3 417.535 1.567 20 0 HDADHN COCCS(=O)(=O)CCCOC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000733463757 1076081906 /nfs/dbraw/zinc/08/19/06/1076081906.db2.gz QBKAMBOSRDZJDY-CYBMUJFWSA-N 0 3 405.419 1.312 20 0 HDADHN CC(C)CN1CCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1 ZINC000727239202 1076087926 /nfs/dbraw/zinc/08/79/26/1076087926.db2.gz KTAKTISDFJQDMR-UHFFFAOYSA-N 0 3 421.567 1.369 20 0 HDADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC(=O)Nc1ccc(F)cc1 ZINC000525876369 1076164875 /nfs/dbraw/zinc/16/48/75/1076164875.db2.gz ZELMLGNEEJZKRU-UHFFFAOYSA-N 0 3 402.426 1.589 20 0 HDADHN Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCCN3CCN(C)CC3)cc2)nc1 ZINC000733662467 1076165630 /nfs/dbraw/zinc/16/56/30/1076165630.db2.gz GHXHRBSLBBEOIN-UHFFFAOYSA-N 0 3 411.506 1.875 20 0 HDADHN CC(C)Cn1nccc1NC(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000533456627 1076243420 /nfs/dbraw/zinc/24/34/20/1076243420.db2.gz OGXDVNJUCFULCU-IRXDYDNUSA-N 0 3 405.543 1.825 20 0 HDADHN O=C(CN[C@@]1(CO)CCCN(Cc2ccccc2)C1)NC(=O)NCc1cccs1 ZINC000733898334 1076259002 /nfs/dbraw/zinc/25/90/02/1076259002.db2.gz QOPSUSIMYGOVNH-NRFANRHFSA-N 0 3 416.547 1.691 20 0 HDADHN O=C(OCc1ccccc1)N1CC(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000733900610 1076260346 /nfs/dbraw/zinc/26/03/46/1076260346.db2.gz WZHGYTWINGYXAM-GOSISDBHSA-N 0 3 407.536 1.897 20 0 HDADHN CCN(CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)CC(C)(C)O ZINC000734002604 1076288597 /nfs/dbraw/zinc/28/85/97/1076288597.db2.gz RBWPZILYOZDGHH-GDNBJRDFSA-N 0 3 409.552 1.224 20 0 HDADHN COc1cc(CNC[C@@](C)(O)c2ccc(F)cc2F)cc(OC)c1OCC(N)=O ZINC000734003958 1076289023 /nfs/dbraw/zinc/28/90/23/1076289023.db2.gz CWSHBIXCSLJZFX-HXUWFJFHSA-N 0 3 410.417 1.843 20 0 HDADHN CC(C)N1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000727952434 1076296030 /nfs/dbraw/zinc/29/60/30/1076296030.db2.gz MGDIIRVHTQJUMI-UHFFFAOYSA-N 0 3 403.451 1.564 20 0 HDADHN CC(C)N1CCCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CC1 ZINC000727951986 1076296550 /nfs/dbraw/zinc/29/65/50/1076296550.db2.gz KWNBJGCSPMBZQW-UHFFFAOYSA-N 0 3 421.929 1.157 20 0 HDADHN C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCC[C@@H](C4OCCO4)C3)CC2)C1 ZINC000728053701 1076320407 /nfs/dbraw/zinc/32/04/07/1076320407.db2.gz PZUXLUNCFQEZOG-PKOBYXMFSA-N 0 3 407.555 1.568 20 0 HDADHN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000728073731 1076333540 /nfs/dbraw/zinc/33/35/40/1076333540.db2.gz XSWKVLCMRUKJQF-SPMFNHFHSA-N 0 3 410.584 1.303 20 0 HDADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000728151990 1076348039 /nfs/dbraw/zinc/34/80/39/1076348039.db2.gz KYGHWSOOBSPDST-SIXWZSSISA-N 0 3 400.504 1.668 20 0 HDADHN COc1cc(CN[C@@H](C)c2ccc(-n3cncn3)cc2)cc(OC)c1OCC(N)=O ZINC000028311776 1076360961 /nfs/dbraw/zinc/36/09/61/1076360961.db2.gz YIMNFVBOVIORGM-AWEZNQCLSA-N 0 3 411.462 1.999 20 0 HDADHN CNC(=O)C1(C(=O)OCC(=O)N2CCCN(Cc3ccccc3C)CC2)CCC1 ZINC000730046681 1076420669 /nfs/dbraw/zinc/42/06/69/1076420669.db2.gz XEOIXYZPSXMJKR-UHFFFAOYSA-N 0 3 401.507 1.489 20 0 HDADHN O=C(Nc1ccccc1)NC1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000730125438 1076465463 /nfs/dbraw/zinc/46/54/63/1076465463.db2.gz HUFJXEYXFUSHGL-OALUTQOASA-N 0 3 401.511 1.845 20 0 HDADHN CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000730219209 1076480544 /nfs/dbraw/zinc/48/05/44/1076480544.db2.gz WKPHYIYBTPSJHC-HUUCEWRRSA-N 0 3 412.556 1.237 20 0 HDADHN C[C@H](NC(=O)OC(C)(C)C)C1CCN([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000730266567 1076507884 /nfs/dbraw/zinc/50/78/84/1076507884.db2.gz YJHFUKDBVPLEBX-GJZGRUSLSA-N 0 3 410.559 1.724 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@H]3CSCN3C(C)=O)cc2)CC1 ZINC000730305807 1076521351 /nfs/dbraw/zinc/52/13/51/1076521351.db2.gz QJOQIDCNNWADPU-GOSISDBHSA-N 0 3 420.535 1.232 20 0 HDADHN CC(C)N(CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C[C@@H](C)O ZINC000730419149 1076574630 /nfs/dbraw/zinc/57/46/30/1076574630.db2.gz GFOOKIHSXLYURN-MOVXZBDNSA-N 0 3 409.552 1.223 20 0 HDADHN CC(C)N(CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C[C@H](C)O ZINC000730419152 1076575171 /nfs/dbraw/zinc/57/51/71/1076575171.db2.gz GFOOKIHSXLYURN-WAFIBAPDSA-N 0 3 409.552 1.223 20 0 HDADHN CCN(CC)S(=O)(=O)c1cc(C(=O)N(CCN(C)C)Cc2ccccn2)n(C)c1 ZINC000730548100 1076598506 /nfs/dbraw/zinc/59/85/06/1076598506.db2.gz UDWZATWJEANIMW-UHFFFAOYSA-N 0 3 421.567 1.655 20 0 HDADHN CN(C)CCN(Cc1ccccn1)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000730547935 1076598575 /nfs/dbraw/zinc/59/85/75/1076598575.db2.gz NNHUWBKTVNGYRY-HSZRJFAPSA-N 0 3 421.501 1.365 20 0 HDADHN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(CCN(C)C)Cc3ccccn3)C2=O)cc1 ZINC000730548057 1076598665 /nfs/dbraw/zinc/59/86/65/1076598665.db2.gz RDXKNEMTENORDS-QHCPKHFHSA-N 0 3 423.517 1.747 20 0 HDADHN O=C(c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000730796621 1076652596 /nfs/dbraw/zinc/65/25/96/1076652596.db2.gz MJKWTWBPBWAAIF-MRXNPFEDSA-N 0 3 403.504 1.694 20 0 HDADHN COC(=O)c1ccc(N2CCN(CCc3ccc(S(N)(=O)=O)cc3)[C@H](C)C2)cc1 ZINC000730940175 1076699011 /nfs/dbraw/zinc/69/90/11/1076699011.db2.gz ZYVNVJYPFAXVJA-MRXNPFEDSA-N 0 3 417.531 1.874 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)C)c1 ZINC000731007014 1076709257 /nfs/dbraw/zinc/70/92/57/1076709257.db2.gz DXXDYDINOCKILO-OAHLLOKOSA-N 0 3 401.504 1.353 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000731008127 1076710031 /nfs/dbraw/zinc/71/00/31/1076710031.db2.gz YVZFBMXACMMWFO-HNNXBMFYSA-N 0 3 415.531 1.743 20 0 HDADHN Cc1nc(COc2ccc(NC(=O)C(=O)NC[C@@H](C)N3CCCCC3)cc2)no1 ZINC000731125254 1076734058 /nfs/dbraw/zinc/73/40/58/1076734058.db2.gz DWVZWSNCKCONOV-CQSZACIVSA-N 0 3 401.467 1.886 20 0 HDADHN COCCOC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000731134352 1076737149 /nfs/dbraw/zinc/73/71/49/1076737149.db2.gz IOSQJASKEAUDGM-KRWDZBQOSA-N 0 3 404.467 1.421 20 0 HDADHN NC(=O)CCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000731190218 1076743986 /nfs/dbraw/zinc/74/39/86/1076743986.db2.gz GSDGNTRQVRWQGC-KRWDZBQOSA-N 0 3 409.490 1.538 20 0 HDADHN Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(c2cc(CN(C)C)ccn2)C3)nn1 ZINC001164635178 719266142 /nfs/dbraw/zinc/26/61/42/719266142.db2.gz HVRNXTGRVKTWCA-UGKGYDQZSA-N 0 3 412.538 1.966 20 0 HDADHN CNC(=O)CN1CCCC12CCN(c1ccc(C(=O)NC3CCCC3)nn1)CC2 ZINC001164689847 719748164 /nfs/dbraw/zinc/74/81/64/719748164.db2.gz LUKLYKNNXUQQKA-UHFFFAOYSA-N 0 3 400.527 1.330 20 0 HDADHN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(Cl)nc2nc(C)[nH]c21 ZINC001164706758 719848734 /nfs/dbraw/zinc/84/87/34/719848734.db2.gz YJSHULWCSVCAOK-XIKOKIGWSA-N 0 3 408.890 1.547 20 0 HDADHN COC[C@H]1CN(CC2CC2)C[C@@]12CCN(c1cc(OC)nc(S(C)(=O)=O)n1)C2 ZINC001164809967 720118789 /nfs/dbraw/zinc/11/87/89/720118789.db2.gz IZVCUJYXYIROSD-DNVCBOLYSA-N 0 3 410.540 1.073 20 0 HDADHN CNC(=O)CN1CCOC[C@]2(CCCN(c3cc(N4CCCC4)nc(C)n3)C2)C1 ZINC001164717251 720218546 /nfs/dbraw/zinc/21/85/46/720218546.db2.gz HIYVJDHJWHZCLO-OAQYLSRUSA-N 0 3 402.543 1.050 20 0 HDADHN COC(=O)c1ccc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ncc2c1 ZINC001164738724 720637732 /nfs/dbraw/zinc/63/77/32/720637732.db2.gz DEWPYJMRZDNWAM-SJORKVTESA-N 0 3 406.446 1.548 20 0 HDADHN CCOC(=O)c1cnc2cc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)[nH]cc1-2 ZINC001164739007 720750570 /nfs/dbraw/zinc/75/05/70/720750570.db2.gz HKQABBQDSIDCAJ-GJZGRUSLSA-N 0 3 408.462 1.872 20 0 HDADHN COc1cc(OC)c2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164744926 720804118 /nfs/dbraw/zinc/80/41/18/720804118.db2.gz JTDIOPFQIUBEPC-GDBMZVCRSA-N 0 3 408.462 1.779 20 0 HDADHN O=c1ccccn1-c1nccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164875491 721157627 /nfs/dbraw/zinc/15/76/27/721157627.db2.gz LRCDFYHCOHNCEO-RTBURBONSA-N 0 3 404.474 1.502 20 0 HDADHN CN1CCN(c2nccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164879871 721168309 /nfs/dbraw/zinc/16/83/09/721168309.db2.gz UWKHPQNFOYOQCE-VQTJNVASSA-N 0 3 409.538 1.103 20 0 HDADHN COC(OC)c1c(CO)ccnc1N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164772354 721173520 /nfs/dbraw/zinc/17/35/20/721173520.db2.gz SWTWTYPTCWBUJN-AEFFLSMTSA-N 0 3 401.511 1.557 20 0 HDADHN CN(Cc1ccc(N2CCn3c(CNC(=O)c4ccno4)cnc3C2)nc1)C1CC1 ZINC001164769742 721269050 /nfs/dbraw/zinc/26/90/50/721269050.db2.gz ZJNCBQMGYICLLT-UHFFFAOYSA-N 0 3 407.478 1.811 20 0 HDADHN O=C(COC[C@]12COC[C@H]1CN(c1ccc(CN3CCCC3)cn1)C2)N1CCCC1 ZINC001164882533 721337505 /nfs/dbraw/zinc/33/75/05/721337505.db2.gz FWDBIKCMTVESGP-OFNKIYASSA-N 0 3 414.550 1.769 20 0 HDADHN CC(C)c1nc(N(C)C)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164888298 721420548 /nfs/dbraw/zinc/42/05/48/721420548.db2.gz NYVVZDODTONKHZ-PGRDOPGGSA-N 0 3 417.602 1.826 20 0 HDADHN Cc1nc(-n2cncn2)cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164894928 721444777 /nfs/dbraw/zinc/44/47/77/721444777.db2.gz NLBBTSLLITZPDP-GHTZIAJQSA-N 0 3 412.542 1.131 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164903135 721552343 /nfs/dbraw/zinc/55/23/43/721552343.db2.gz AVTNRZFURPHTEC-WMZOPIPTSA-N 0 3 420.510 1.813 20 0 HDADHN CN(C)Cc1ccnc(N2CCOC[C@@]3(CN(c4ccsc4)C(=O)CO3)C2)c1 ZINC001164797189 721594503 /nfs/dbraw/zinc/59/45/03/721594503.db2.gz FNIFNOAYLWPBAT-FQEVSTJZSA-N 0 3 402.520 1.844 20 0 HDADHN CCOC(=O)c1c[nH]c2ncnc(N3CCCn4c(CN(C)C(C)C)nnc4C3)c12 ZINC001165009672 721697621 /nfs/dbraw/zinc/69/76/21/721697621.db2.gz BYNUFLOCGXPARP-UHFFFAOYSA-N 0 3 412.498 1.977 20 0 HDADHN Cn1nnc2c1ncnc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164909113 721726003 /nfs/dbraw/zinc/72/60/03/721726003.db2.gz BNNXSLAPSYWQRZ-SFHVURJKSA-N 0 3 400.437 1.891 20 0 HDADHN O=C([C@H]1C[C@@]2(CO1)CCCN(c1ccc(CN3CCCC3)cn1)C2)N1CCOCC1 ZINC001165023708 721777008 /nfs/dbraw/zinc/77/70/08/721777008.db2.gz TZEPZEQZQIKTJU-OFNKIYASSA-N 0 3 414.550 1.912 20 0 HDADHN c1c(N2CCOCC2)nc(N2CCOCC2)nc1N1CCN(C2CCCC2)CC1 ZINC001165029851 721853879 /nfs/dbraw/zinc/85/38/79/721853879.db2.gz NMVSUVFVJRLBAF-UHFFFAOYSA-N 0 3 402.543 1.214 20 0 HDADHN Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4ccc(CN5CCCC5)cn4)CC[C@@H]23)cn1 ZINC001164956468 722031741 /nfs/dbraw/zinc/03/17/41/722031741.db2.gz GULQAOHHIRXBIQ-HBMCJLEFSA-N 0 3 424.549 1.682 20 0 HDADHN CC1(C)C(=O)Nc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164979676 722137304 /nfs/dbraw/zinc/13/73/04/722137304.db2.gz LSOLBWBAHKUSFN-IRXDYDNUSA-N 0 3 408.506 1.829 20 0 HDADHN CN(C)C(=O)Cn1c(=O)ccc2c1CCN(c1ccc(CN(C)C3CC3)cn1)CC2 ZINC001164989253 722189069 /nfs/dbraw/zinc/18/90/69/722189069.db2.gz BBODORHWEXLCGS-UHFFFAOYSA-N 0 3 409.534 1.531 20 0 HDADHN CN(C)Cc1ccnc(N2CCC[C@@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)c1 ZINC001165000777 722218978 /nfs/dbraw/zinc/21/89/78/722218978.db2.gz YRFICRKISLQOAI-JOCHJYFZSA-N 0 3 408.506 1.970 20 0 HDADHN Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@@H]2C1 ZINC001165005159 722244240 /nfs/dbraw/zinc/24/42/40/722244240.db2.gz SMRFZWTVTLIZRG-PZJWPPBQSA-N 0 3 409.534 1.993 20 0 HDADHN O=C(NC[C@H]1CSCCN1Cc1ccccc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000429045246 1073460694 /nfs/dbraw/zinc/46/06/94/1073460694.db2.gz SMLRVVONRUBQRY-RTWAWAEBSA-N 0 3 418.607 1.968 20 0 HDADHN FC(F)(F)Cn1nnnc1CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000429054050 1073476111 /nfs/dbraw/zinc/47/61/11/1073476111.db2.gz HHYOJTUNWYWZCU-INIZCTEOSA-N 0 3 424.475 1.665 20 0 HDADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N1CCN(Cc2ncc[nH]2)CC1 ZINC000429055164 1073482642 /nfs/dbraw/zinc/48/26/42/1073482642.db2.gz SGGAFCYNXLMQSG-HXUWFJFHSA-N 0 3 412.538 1.528 20 0 HDADHN C[C@H](CNC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)CN1CCN(C)CC1 ZINC000509097350 1073521468 /nfs/dbraw/zinc/52/14/68/1073521468.db2.gz JMKBSUTXVRQGFJ-MOXGXCLJSA-N 0 3 421.973 1.795 20 0 HDADHN O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC[C@H]1CCCCN1C1CC1 ZINC000429104044 1073588882 /nfs/dbraw/zinc/58/88/82/1073588882.db2.gz OUIWRFIWVLBXCU-LJQANCHMSA-N 0 3 413.522 1.075 20 0 HDADHN O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)NCCN1CCCCC1 ZINC000509136557 1073703406 /nfs/dbraw/zinc/70/34/06/1073703406.db2.gz IMKQHDDZEYUQCF-UHFFFAOYSA-N 0 3 406.911 1.543 20 0 HDADHN CCN(CCCNC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)S(C)(=O)=O ZINC000673772252 1073704390 /nfs/dbraw/zinc/70/43/90/1073704390.db2.gz UDCJYXISWXMWRG-GOSISDBHSA-N 0 3 410.584 1.964 20 0 HDADHN CCS(=O)(=O)N(C)CCCNC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000673770074 1073714314 /nfs/dbraw/zinc/71/43/14/1073714314.db2.gz HIOGYCHRAGUCPZ-SFHVURJKSA-N 0 3 410.584 1.964 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCc2cn3cccc(C)c3n2)CC1 ZINC000673779574 1073734808 /nfs/dbraw/zinc/73/48/08/1073734808.db2.gz MPCWQYUXFLWOOP-UHFFFAOYSA-N 0 3 400.527 1.381 20 0 HDADHN C[C@H]1CN(CC2CCN(C(=O)NCCC3CCS(=O)(=O)CC3)CC2)C[C@H](C)O1 ZINC000509156808 1073780179 /nfs/dbraw/zinc/78/01/79/1073780179.db2.gz VMVRFMNDARSWIY-IRXDYDNUSA-N 0 3 415.600 1.732 20 0 HDADHN C[C@@H]1CN(CC2CCN(C(=O)NCCC3CCS(=O)(=O)CC3)CC2)C[C@@H](C)O1 ZINC000509156806 1073780198 /nfs/dbraw/zinc/78/01/98/1073780198.db2.gz VMVRFMNDARSWIY-IAGOWNOFSA-N 0 3 415.600 1.732 20 0 HDADHN O=C(NCCC1CCS(=O)(=O)CC1)NCC1(N2CCSCC2)CCCC1 ZINC000509159026 1073785720 /nfs/dbraw/zinc/78/57/20/1073785720.db2.gz YNVPNWXWCHDFRQ-UHFFFAOYSA-N 0 3 403.614 1.862 20 0 HDADHN NC(=O)C[C@H](NCCS(=O)(=O)c1cccc(Br)c1)C1CCOCC1 ZINC000543491577 1073817453 /nfs/dbraw/zinc/81/74/53/1073817453.db2.gz XDQQJMZQDPSORM-HNNXBMFYSA-N 0 3 419.341 1.483 20 0 HDADHN C[C@@H](NC(=O)CNC(=O)CN[C@@H](CC(N)=O)C1CCCCC1)c1ccc(F)cc1 ZINC000543493382 1073817870 /nfs/dbraw/zinc/81/78/70/1073817870.db2.gz HUASCGIWZMXXAX-KDOFPFPSSA-N 0 3 406.502 1.533 20 0 HDADHN NC(=O)C[C@@H](N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)C1CCOCC1 ZINC000543494420 1073824272 /nfs/dbraw/zinc/82/42/72/1073824272.db2.gz GZEBWXQMBBNCLP-JKSUJKDBSA-N 0 3 415.412 1.951 20 0 HDADHN O=C(Cn1nc(-c2ccccc2)oc1=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000673939789 1073914413 /nfs/dbraw/zinc/91/44/13/1073914413.db2.gz NNZPUSQVTBYQSL-UHFFFAOYSA-N 0 3 422.485 1.776 20 0 HDADHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000543524649 1074005275 /nfs/dbraw/zinc/00/52/75/1074005275.db2.gz MKCARFXTOYYAEO-HUUCEWRRSA-N 0 3 422.551 1.445 20 0 HDADHN COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000543534221 1074033554 /nfs/dbraw/zinc/03/35/54/1074033554.db2.gz XEJZNWYFBSTMPU-MRXNPFEDSA-N 0 3 416.522 1.397 20 0 HDADHN O=C(Nc1ccccc1CN1CCNC1=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000543553342 1074078866 /nfs/dbraw/zinc/07/88/66/1074078866.db2.gz NEFMBGBQVGDXLS-UHFFFAOYSA-N 0 3 413.522 1.627 20 0 HDADHN CNc1nc(NC[C@]2(C)CCO[C@@H]2C2CC2)nc(NC[C@]2(C)CCO[C@@H]2C2CC2)n1 ZINC000466622121 1074142938 /nfs/dbraw/zinc/14/29/38/1074142938.db2.gz XGQYYHAKZQSQFG-YAKVFXAGSA-N 0 3 416.570 1.413 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)c1ccncc1 ZINC000674226477 1074234396 /nfs/dbraw/zinc/23/43/96/1074234396.db2.gz MNHKMLOQWGWGLS-CQSZACIVSA-N 0 3 411.462 1.410 20 0 HDADHN CN(Cc1ccccc1)[C@@H]1CCN(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000674251067 1074243142 /nfs/dbraw/zinc/24/31/42/1074243142.db2.gz IUMPTUWRWFFGJW-HXUWFJFHSA-N 0 3 415.559 1.913 20 0 HDADHN CN1CC[C@@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)[C@@H]1c1ccccc1 ZINC000429224611 1074245770 /nfs/dbraw/zinc/24/57/70/1074245770.db2.gz YJPKBDGWXOEELV-KUHUBIRLSA-N 0 3 408.462 1.944 20 0 HDADHN COC1CCN(CCNC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)CC1 ZINC000674317964 1074266511 /nfs/dbraw/zinc/26/65/11/1074266511.db2.gz WLFUFKAJRWOEJC-UHFFFAOYSA-N 0 3 402.492 1.308 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 ZINC000674310228 1074267428 /nfs/dbraw/zinc/26/74/28/1074267428.db2.gz XGPRQHBZDQGRCO-GOSISDBHSA-N 0 3 405.514 1.834 20 0 HDADHN CC[C@H](NC(=O)NC1CCN(CCOC)CC1)c1ccccc1OCC(=O)NC ZINC000140426941 1074272283 /nfs/dbraw/zinc/27/22/83/1074272283.db2.gz CPHBWURUDULQHM-SFHVURJKSA-N 0 3 406.527 1.673 20 0 HDADHN COC1CCN(CCNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000674323534 1074273328 /nfs/dbraw/zinc/27/33/28/1074273328.db2.gz BVJTVXCAONAPAY-UHFFFAOYSA-N 0 3 423.457 1.211 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000674324250 1074273816 /nfs/dbraw/zinc/27/38/16/1074273816.db2.gz QJTIWNCIWBPKIO-KRWDZBQOSA-N 0 3 403.479 1.038 20 0 HDADHN COC1CCN(CCNC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CC1 ZINC000674325784 1074275416 /nfs/dbraw/zinc/27/54/16/1074275416.db2.gz GLOHHDBCNONCNB-FQEVSTJZSA-N 0 3 408.518 1.609 20 0 HDADHN COC1CCN(CCNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000674325565 1074275867 /nfs/dbraw/zinc/27/58/67/1074275867.db2.gz XHFULKCCTQSVRB-UHFFFAOYSA-N 0 3 424.295 1.272 20 0 HDADHN COC1CCN(CCNC(=O)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000674329620 1074276848 /nfs/dbraw/zinc/27/68/48/1074276848.db2.gz HGPIVJUCQBRDSF-WIYYLYMNSA-N 0 3 404.555 1.686 20 0 HDADHN COC1CCN(CCNC(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)CC1 ZINC000674327710 1074277545 /nfs/dbraw/zinc/27/75/45/1074277545.db2.gz MOSOTIGXQRUTJJ-SFHVURJKSA-N 0 3 404.555 1.817 20 0 HDADHN COC1CCN(CCNC(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000674327513 1074277584 /nfs/dbraw/zinc/27/75/84/1074277584.db2.gz LTDUCGNVIFEXIN-UHFFFAOYSA-N 0 3 423.602 1.121 20 0 HDADHN COC1CCN(CCNC(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000674331292 1074286128 /nfs/dbraw/zinc/28/61/28/1074286128.db2.gz DRLUZJAUEMERKY-UHFFFAOYSA-N 0 3 416.566 1.878 20 0 HDADHN COC(=O)N(C)Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000766061139 1074306397 /nfs/dbraw/zinc/30/63/97/1074306397.db2.gz MNXPDIBTBZGRHM-SFHVURJKSA-N 0 3 417.510 1.655 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1=O ZINC000674438127 1074335220 /nfs/dbraw/zinc/33/52/20/1074335220.db2.gz GUHZDQWNEIEQDH-FGSXEWAUSA-N 0 3 413.522 1.843 20 0 HDADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)C1 ZINC000674455110 1074357882 /nfs/dbraw/zinc/35/78/82/1074357882.db2.gz WJKKQUIQTRHARN-XNGFIGEISA-N 0 3 413.522 1.842 20 0 HDADHN C[C@H](N[C@H]1Cc2cccc(O)c2C1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000429234658 1074452134 /nfs/dbraw/zinc/45/21/34/1074452134.db2.gz ZFXJTVSJGJZQHV-UWJYYQICSA-N 0 3 409.530 1.986 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)CCN2CCN(c3ccccc3)CC2)C1=O ZINC000674583910 1074464687 /nfs/dbraw/zinc/46/46/87/1074464687.db2.gz NCVPCRWCTCYABJ-VGSWGCGISA-N 0 3 413.522 1.035 20 0 HDADHN Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)o1 ZINC000674638282 1074497577 /nfs/dbraw/zinc/49/75/77/1074497577.db2.gz FHWRQXJEFKEHRL-YWZLYKJASA-N 0 3 405.499 1.382 20 0 HDADHN CN(C)CCN(CC1CCCCC1)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000674644633 1074502976 /nfs/dbraw/zinc/50/29/76/1074502976.db2.gz XIDVLTIBDZHKGF-LAUBAEHRSA-N 0 3 407.559 1.860 20 0 HDADHN Cc1ccccc1CN1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000674777571 1074552893 /nfs/dbraw/zinc/55/28/93/1074552893.db2.gz IUJSHHNGJSZGKQ-KRWDZBQOSA-N 0 3 419.551 1.130 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(COC(=O)C2CC[C@@H](C(F)(F)F)NC2=O)cc1 ZINC000766076079 1074584093 /nfs/dbraw/zinc/58/40/93/1074584093.db2.gz FYEIDVJCHNTFPN-OLZOCXBDSA-N 0 3 408.398 1.437 20 0 HDADHN O=S(=O)(CCN[C@H]1CCN(c2ccccc2)C1)N1CCN(c2ccccn2)CC1 ZINC000674879929 1074600564 /nfs/dbraw/zinc/60/05/64/1074600564.db2.gz LSCDBGYXUNARHM-IBGZPJMESA-N 0 3 415.563 1.402 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000674917455 1074614628 /nfs/dbraw/zinc/61/46/28/1074614628.db2.gz JTQZAWZDSLLPTD-VXKWHMMOSA-N 0 3 416.566 1.914 20 0 HDADHN Cc1c(C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000674948381 1074635392 /nfs/dbraw/zinc/63/53/92/1074635392.db2.gz TZBSFHGGHQXJMD-WOJBJXKFSA-N 0 3 411.506 1.584 20 0 HDADHN COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c(OC)c(OC)c1 ZINC000467678372 1074684671 /nfs/dbraw/zinc/68/46/71/1074684671.db2.gz YWMLZMPDZRXHOX-KGLIPLIRSA-N 0 3 405.451 1.124 20 0 HDADHN CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCCC3)CCN2C1=O ZINC000675096237 1074708646 /nfs/dbraw/zinc/70/86/46/1074708646.db2.gz WYAWCBCGCRLGND-OALUTQOASA-N 0 3 413.522 1.810 20 0 HDADHN CCN1C(=O)[C@@H]2CN(C(=O)NCC3(N4CCSCC4)CCCC3)CCN2C1=O ZINC000675089456 1074712449 /nfs/dbraw/zinc/71/24/49/1074712449.db2.gz AIJFRFCPTCZSFS-HNNXBMFYSA-N 0 3 409.556 1.026 20 0 HDADHN C[C@@H]1C[C@@H](NC(=O)NCc2cc(S(N)(=O)=O)ccc2F)CN1Cc1ccccc1 ZINC000675102627 1074718833 /nfs/dbraw/zinc/71/88/33/1074718833.db2.gz KILNMTZCXQUCGP-RHSMWYFYSA-N 0 3 420.510 1.935 20 0 HDADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000504612032 1074725543 /nfs/dbraw/zinc/72/55/43/1074725543.db2.gz FSAUHKAWCCZOIO-UHFFFAOYSA-N 0 3 418.501 1.830 20 0 HDADHN Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)nn1-c1ccc(F)cc1F ZINC000582989368 1074727696 /nfs/dbraw/zinc/72/76/96/1074727696.db2.gz QQUHFXXPHHTDQP-HNNXBMFYSA-N 0 3 403.433 2.094 20 0 HDADHN COc1ccccc1N1CC[C@H](NC(=O)C(=O)NCC(C)(C)N2CCCCC2)C1=O ZINC000675128767 1074734470 /nfs/dbraw/zinc/73/44/70/1074734470.db2.gz IPHIDGUVETYWNQ-INIZCTEOSA-N 0 3 416.522 1.297 20 0 HDADHN CNc1nc(N2CCC[C@@H](n3ccnc3)C2)nc(N2CCC[C@@H](n3ccnc3)C2)n1 ZINC000675151134 1074738283 /nfs/dbraw/zinc/73/82/83/1074738283.db2.gz YWNNHDFXEXGUOT-IAGOWNOFSA-N 0 3 408.514 1.411 20 0 HDADHN Cc1c(C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)nnn1-c1cccc2c1CCN(C)C2 ZINC000675188285 1074752345 /nfs/dbraw/zinc/75/23/45/1074752345.db2.gz JJKLZSFFYMNHMF-HKUYNNGSSA-N 0 3 408.506 1.447 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000675221279 1074763263 /nfs/dbraw/zinc/76/32/63/1074763263.db2.gz WSPGASAOMMDXLV-INIZCTEOSA-N 0 3 413.522 1.851 20 0 HDADHN CN(CCCN1CCCC1)S(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC000543619413 1074772780 /nfs/dbraw/zinc/77/27/80/1074772780.db2.gz ORAZBVDXCZYRHO-UHFFFAOYSA-N 0 3 410.462 1.424 20 0 HDADHN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429333370 1074819676 /nfs/dbraw/zinc/81/96/76/1074819676.db2.gz YTAXDWBRRSJGAZ-QZTJIDSGSA-N 0 3 411.568 1.358 20 0 HDADHN Cc1cc(NC(=O)CSCC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)no1 ZINC000467034144 1075134815 /nfs/dbraw/zinc/13/48/15/1075134815.db2.gz RBMGLMZBHGLKCG-PBHICJAKSA-N 0 3 402.520 2.434 20 0 HDADHN COCCN1CCC(NC(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)CC1 ZINC000143657242 1075143095 /nfs/dbraw/zinc/14/30/95/1075143095.db2.gz DBRREYJAXLUMJX-GASCZTMLSA-N 0 3 411.572 1.985 20 0 HDADHN Cc1cc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)nn1C1CCCCC1 ZINC000555007483 1075156263 /nfs/dbraw/zinc/15/62/63/1075156263.db2.gz KZEVJJIOEUZWAX-UHFFFAOYSA-N 0 3 402.543 2.469 20 0 HDADHN CN(C)C[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c2ccccc2O1 ZINC000675472539 1075166895 /nfs/dbraw/zinc/16/68/95/1075166895.db2.gz PDLGANSOWLTZQN-OAHLLOKOSA-N 0 3 418.519 1.769 20 0 HDADHN O=C(CN1CCCN(C[C@H]2CCCO2)CC1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000675497062 1075177365 /nfs/dbraw/zinc/17/73/65/1075177365.db2.gz VDCRTFDCNIDQRO-MRXNPFEDSA-N 0 3 419.917 1.441 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000675511042 1075189826 /nfs/dbraw/zinc/18/98/26/1075189826.db2.gz AMIVSBGGODBGCL-MRXNPFEDSA-N 0 3 403.504 1.711 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)c2ccccc2O1 ZINC000675511902 1075190668 /nfs/dbraw/zinc/19/06/68/1075190668.db2.gz ZBUXWYVSYPMKMI-AOMKIAJQSA-N 0 3 408.458 1.711 20 0 HDADHN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000675536861 1075194286 /nfs/dbraw/zinc/19/42/86/1075194286.db2.gz LXELNUGUBHKVRJ-CRAIPNDOSA-N 0 3 409.552 1.747 20 0 HDADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)NC1CCN([C@H]3CCOC3)CC1)C2=O ZINC000675538010 1075194945 /nfs/dbraw/zinc/19/49/45/1075194945.db2.gz OTSIXHNQCHOKEC-LBKMDBTOSA-N 0 3 406.527 1.247 20 0 HDADHN O=C(CNC(=O)c1cccc(Br)c1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000675538403 1075194969 /nfs/dbraw/zinc/19/49/69/1075194969.db2.gz XGFFJJGGMIBMBF-MRXNPFEDSA-N 0 3 410.312 1.548 20 0 HDADHN O=C(CNC(=O)c1ccc(Br)o1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000675537531 1075195194 /nfs/dbraw/zinc/19/51/94/1075195194.db2.gz DNOCHEZTGJUQRX-GFCCVEGCSA-N 0 3 400.273 1.141 20 0 HDADHN CN1CCN(c2ncc(CN[C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cn2)CC1 ZINC000675552499 1075207317 /nfs/dbraw/zinc/20/73/17/1075207317.db2.gz GEDNCYHAJIVBKQ-ZWKOTPCHSA-N 0 3 409.456 1.853 20 0 HDADHN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cc(C2CC2)n(C)n1)c1cccc(OC)c1 ZINC000574444477 1075209313 /nfs/dbraw/zinc/20/93/13/1075209313.db2.gz UIXZEYOTEMFHQT-IBGZPJMESA-N 0 3 413.522 2.444 20 0 HDADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675603505 1075218691 /nfs/dbraw/zinc/21/86/91/1075218691.db2.gz YEPBRGUMQUDSPP-KRWDZBQOSA-N 0 3 416.522 1.603 20 0 HDADHN Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)no1 ZINC000557023241 1075226195 /nfs/dbraw/zinc/22/61/95/1075226195.db2.gz RQPIPSYHGGKDLZ-WMLDXEAASA-N 0 3 418.519 2.249 20 0 HDADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675597638 1075236084 /nfs/dbraw/zinc/23/60/84/1075236084.db2.gz NCUAZKOKAHSCAD-INIZCTEOSA-N 0 3 405.524 1.653 20 0 HDADHN CCNc1nc(NC(C)(C)C)nc(N2CCC(C(=O)Nc3cc(C)on3)CC2)n1 ZINC000561146082 1075238635 /nfs/dbraw/zinc/23/86/35/1075238635.db2.gz PZYQZZLWHHUKDX-UHFFFAOYSA-N 0 3 402.503 2.087 20 0 HDADHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000509357690 1075241116 /nfs/dbraw/zinc/24/11/16/1075241116.db2.gz UEURVASIQGDDKP-OAHLLOKOSA-N 0 3 405.586 1.726 20 0 HDADHN COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)n1 ZINC000443842695 1075248144 /nfs/dbraw/zinc/24/81/44/1075248144.db2.gz MWAONOFJEDJSII-FRQCXROJSA-N 0 3 401.511 2.145 20 0 HDADHN C[C@H](CNC(=O)N[C@H](C)c1nc(Cc2ccccc2)no1)CN1CCN(C)CC1 ZINC000429374044 1075263368 /nfs/dbraw/zinc/26/33/68/1075263368.db2.gz UIUIFEPCARFQMB-IAGOWNOFSA-N 0 3 400.527 1.904 20 0 HDADHN C[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1)c1cccc(-n2cnnn2)c1 ZINC000675780738 1075267946 /nfs/dbraw/zinc/26/79/46/1075267946.db2.gz NVPKUJCZIFCDCY-ZDUSSCGKSA-N 0 3 406.899 1.945 20 0 HDADHN COc1cc(CN[C@H](C)c2cccc(-n3cnnn3)c2)ccc1OCC(=O)N(C)C ZINC000675775498 1075269415 /nfs/dbraw/zinc/26/94/15/1075269415.db2.gz UATAJTWXUIHLBJ-OAHLLOKOSA-N 0 3 410.478 1.989 20 0 HDADHN CCOC(=O)Cc1nnc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)s1 ZINC000462273221 1075272044 /nfs/dbraw/zinc/27/20/44/1075272044.db2.gz QQYQFMHXZLJRFE-ZFWWWQNUSA-N 0 3 403.508 2.286 20 0 HDADHN COCCn1ncc2ccc(NC(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)cc21 ZINC000675883319 1075288739 /nfs/dbraw/zinc/28/87/39/1075288739.db2.gz LVRMQACULNGMCL-SFHVURJKSA-N 0 3 414.510 1.453 20 0 HDADHN Cc1ccc(Nc2cccc(C(=O)NCCCCN3CCN(CCO)CC3)c2)nn1 ZINC000536181117 1075317737 /nfs/dbraw/zinc/31/77/37/1075317737.db2.gz RINYZJOGQJRYNN-UHFFFAOYSA-N 0 3 412.538 1.649 20 0 HDADHN Cn1ccnc1C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1 ZINC000675996589 1075320603 /nfs/dbraw/zinc/32/06/03/1075320603.db2.gz GRKQKMVLJZVGKW-WOJBJXKFSA-N 0 3 424.549 1.652 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000731401005 1075330056 /nfs/dbraw/zinc/33/00/56/1075330056.db2.gz IUJLQAOWHSFRMX-RCCFBDPRSA-N 0 3 423.535 1.624 20 0 HDADHN Cc1c(C(=O)N2CCS[C@H]3COCC[C@@H]32)nnn1-c1cccc2c1CCN(C)C2 ZINC000676072614 1075343045 /nfs/dbraw/zinc/34/30/45/1075343045.db2.gz NFTFUZBDKVTPEG-OALUTQOASA-N 0 3 413.547 1.910 20 0 HDADHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 ZINC000731465422 1075357222 /nfs/dbraw/zinc/35/72/22/1075357222.db2.gz JDRDDJFJWNGMIL-HXUWFJFHSA-N 0 3 418.497 1.578 20 0 HDADHN CN(C)[C@H]1Cc2ccccc2N(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)C1 ZINC000731466058 1075357357 /nfs/dbraw/zinc/35/73/57/1075357357.db2.gz PLBVQWPPGGATIZ-UUOWRZLLSA-N 0 3 418.497 1.899 20 0 HDADHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C1 ZINC000731468298 1075357631 /nfs/dbraw/zinc/35/76/31/1075357631.db2.gz FINAWOUJJVCJTP-XLIONFOSSA-N 0 3 409.465 1.765 20 0 HDADHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)C1 ZINC000731467762 1075358125 /nfs/dbraw/zinc/35/81/25/1075358125.db2.gz AUNMXYSLMYNYJN-WZONZLPQSA-N 0 3 406.486 1.973 20 0 HDADHN COC(=O)N1CCC(NC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)CC1 ZINC000731472760 1075359231 /nfs/dbraw/zinc/35/92/31/1075359231.db2.gz KEJMSLKEONHOFR-UHFFFAOYSA-N 0 3 412.494 1.524 20 0 HDADHN CC1CCC(N2CCN(C(=O)CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4n3)CC2)CC1 ZINC000429396564 1075360029 /nfs/dbraw/zinc/36/00/29/1075360029.db2.gz CBDBEKOETQBINK-UHFFFAOYSA-N 0 3 414.510 2.105 20 0 HDADHN CNS(=O)(=O)c1cc(NC(=O)CN[C@H](CC(N)=O)C2CCCCC2)ccc1C ZINC000544456608 1075370117 /nfs/dbraw/zinc/37/01/17/1075370117.db2.gz KWKQLODHCQNRKR-MRXNPFEDSA-N 0 3 410.540 1.256 20 0 HDADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000804094178 1075394692 /nfs/dbraw/zinc/39/46/92/1075394692.db2.gz SPQBHROVLXQXTK-BRWVUGGUSA-N 0 3 410.559 1.929 20 0 HDADHN C[C@H](NC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)[C@@H]1CN(C)CCO1 ZINC000676243787 1075445173 /nfs/dbraw/zinc/44/51/73/1075445173.db2.gz XUEYWNNGXSVETF-JBACZVJFSA-N 0 3 403.571 1.384 20 0 HDADHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCc1nc(-c2cccc(F)c2)no1 ZINC000676231349 1075449516 /nfs/dbraw/zinc/44/95/16/1075449516.db2.gz FEGNYTCACBOOAI-KBPBESRZSA-N 0 3 403.458 1.871 20 0 HDADHN CS(=O)(=O)CCN1CCC(NC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000731680699 1075464237 /nfs/dbraw/zinc/46/42/37/1075464237.db2.gz SOJUOFVNQHVRCI-UHFFFAOYSA-N 0 3 422.595 1.243 20 0 HDADHN Cc1ccc([C@H](CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)N(C)C)cc1 ZINC000731683489 1075465501 /nfs/dbraw/zinc/46/55/01/1075465501.db2.gz BCXPSXINQHXZAT-IBGZPJMESA-N 0 3 410.584 1.406 20 0 HDADHN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@H](C)[C@H]3CN(C)CCO3)c2C1 ZINC000676280576 1075485923 /nfs/dbraw/zinc/48/59/23/1075485923.db2.gz JQEFMFREUBUMAX-GQIGUUNPSA-N 0 3 402.539 1.821 20 0 HDADHN CCN(CC)[C@H](CNC(=O)N1CCN(CC(=O)N(C)C)CC1)c1cccc(OC)c1 ZINC000676289229 1075491176 /nfs/dbraw/zinc/49/11/76/1075491176.db2.gz WUVJNNNJDGKPPS-HXUWFJFHSA-N 0 3 419.570 1.494 20 0 HDADHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676344465 1075518741 /nfs/dbraw/zinc/51/87/41/1075518741.db2.gz MZQRJKQZBMDWAH-LBPRGKRZSA-N 0 3 407.945 1.049 20 0 HDADHN O=C(N[C@H](Cc1ccccc1)C(=O)NC1CCN([C@H]2CCOC2)CC1)c1cccnc1 ZINC000676345933 1075519153 /nfs/dbraw/zinc/51/91/53/1075519153.db2.gz XZQYJTXZTOLGGR-FCHUYYIVSA-N 0 3 422.529 1.792 20 0 HDADHN CN1CCN(CCCNC(=O)CNC(=O)OCC(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000732056372 1075596115 /nfs/dbraw/zinc/59/61/15/1075596115.db2.gz COPPPXWYLOCLPV-MRXNPFEDSA-N 0 3 416.444 1.770 20 0 HDADHN COc1ccccc1Nc1nc(N)nc(CN2CCN(C3CCOCC3)C[C@H]2C)n1 ZINC000488718639 1075641537 /nfs/dbraw/zinc/64/15/37/1075641537.db2.gz XOPUZVUVLLSYQO-OAHLLOKOSA-N 0 3 413.526 1.313 20 0 HDADHN CN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@H]1CN2CCC1CC2 ZINC000732159547 1075641783 /nfs/dbraw/zinc/64/17/83/1075641783.db2.gz JHTDSLVVVCIFKX-SFHVURJKSA-N 0 3 416.547 1.400 20 0 HDADHN CCOCCO[C@H]1CCN(C(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)C1 ZINC000676732967 1075664547 /nfs/dbraw/zinc/66/45/47/1075664547.db2.gz ABGFFSSVMSEBJA-SFHVURJKSA-N 0 3 413.522 1.831 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(OCCN2CCCC[C@H]2CN2CCCC2=O)cc1 ZINC000732211146 1075668456 /nfs/dbraw/zinc/66/84/56/1075668456.db2.gz BGBOCQPJGXUROC-KRWDZBQOSA-N 0 3 409.552 1.793 20 0 HDADHN C[C@H](CNC(=O)NCCNS(=O)(=O)Cc1ccccc1)N(C)Cc1ccccc1 ZINC000732249560 1075680243 /nfs/dbraw/zinc/68/02/43/1075680243.db2.gz TUGWYSPRAVENBX-GOSISDBHSA-N 0 3 418.563 1.926 20 0 HDADHN COCc1ncc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)c(N)n1 ZINC000622608163 1075680886 /nfs/dbraw/zinc/68/08/86/1075680886.db2.gz XYIGAPWWIYNBDT-MRXNPFEDSA-N 0 3 405.449 1.979 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)Nc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000732232274 1075685171 /nfs/dbraw/zinc/68/51/71/1075685171.db2.gz HSVRSFJTVRFFRX-UXLLHSPISA-N 0 3 411.572 1.985 20 0 HDADHN CS[C@@H]1CN(C(=O)Nc2ccncc2I)C[C@H]1N(C)C ZINC000546839302 1075688776 /nfs/dbraw/zinc/68/87/76/1075688776.db2.gz MKELUAIZELJNAJ-VXGBXAGGSA-N 0 3 406.293 1.617 20 0 HDADHN COc1cc2nc(NC[C@@H](O)CN3CCc4ccccc4C3)nc(N)c2cc1OC ZINC000486157746 1075702326 /nfs/dbraw/zinc/70/23/26/1075702326.db2.gz NSFJTYGCQIBHAM-MRXNPFEDSA-N 0 3 409.490 1.482 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000462801165 1075715208 /nfs/dbraw/zinc/71/52/08/1075715208.db2.gz HSQUUYKJIJHMMO-QGZVFWFLSA-N 0 3 409.494 1.876 20 0 HDADHN C[C@H]1C[C@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)CN1Cc1ccccc1 ZINC000495006108 1075722329 /nfs/dbraw/zinc/72/23/29/1075722329.db2.gz LEZAQJDPSJQLJZ-HOCLYGCPSA-N 0 3 401.540 1.615 20 0 HDADHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000732459073 1075750048 /nfs/dbraw/zinc/75/00/48/1075750048.db2.gz NDASBRFCEGZKFV-JKSUJKDBSA-N 0 3 413.563 1.484 20 0 HDADHN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000440661141 1075750288 /nfs/dbraw/zinc/75/02/88/1075750288.db2.gz PJPRZKZWDPVSHF-OAHLLOKOSA-N 0 3 407.522 1.989 20 0 HDADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCCC[C@@H]1CN1CCCC1=O ZINC000732488315 1075775568 /nfs/dbraw/zinc/77/55/68/1075775568.db2.gz RWJTTZFMAGSQCM-QGZVFWFLSA-N 0 3 416.522 1.699 20 0 HDADHN CN1CCC(Oc2ccc(NC(=O)C(=O)Nc3ccn(-c4ccccc4)n3)cn2)CC1 ZINC000441899963 1075777798 /nfs/dbraw/zinc/77/77/98/1075777798.db2.gz QIVDZJFGYIHBRL-UHFFFAOYSA-N 0 3 420.473 2.318 20 0 HDADHN Cc1noc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)n1 ZINC000509273856 1075796067 /nfs/dbraw/zinc/79/60/67/1075796067.db2.gz JFDHFOZCTCYBLG-MRXNPFEDSA-N 0 3 414.466 1.548 20 0 HDADHN C[C@H]1CN(CC2CCN(C(=O)C(=O)Nc3cc(C4CC4)n(C)n3)CC2)C[C@H](C)O1 ZINC000569892007 1075808316 /nfs/dbraw/zinc/80/83/16/1075808316.db2.gz HJHWAQKNKMGEQF-GJZGRUSLSA-N 0 3 403.527 1.584 20 0 HDADHN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)CN1Cc1ccccc1 ZINC000466709565 1075812313 /nfs/dbraw/zinc/81/23/13/1075812313.db2.gz DWAXOMJIOMMXAM-FUHWJXTLSA-N 0 3 404.474 1.985 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCNC(=O)c2ccc(C)c(F)c2)CC1 ZINC000509279984 1075815468 /nfs/dbraw/zinc/81/54/68/1075815468.db2.gz UDPRJMAYJBXGAP-UHFFFAOYSA-N 0 3 421.517 1.060 20 0 HDADHN CCOC(=O)CC[C@H]1CCCN([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000611038053 1075818310 /nfs/dbraw/zinc/81/83/10/1075818310.db2.gz IRMZDRXNAPEQTK-QZTJIDSGSA-N 0 3 403.527 1.569 20 0 HDADHN COC(=O)c1ccccc1S(=O)(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000611167709 1075865896 /nfs/dbraw/zinc/86/58/96/1075865896.db2.gz DKOXPGBFHKDKGR-UHFFFAOYSA-N 0 3 409.552 1.652 20 0 HDADHN COC(=O)c1c(C)cccc1S(=O)(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000611167731 1075865911 /nfs/dbraw/zinc/86/59/11/1075865911.db2.gz LWIQFXCXVSQUGS-UHFFFAOYSA-N 0 3 423.579 1.961 20 0 HDADHN COC(=O)c1ccccc1CS(=O)(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000611167781 1075866361 /nfs/dbraw/zinc/86/63/61/1075866361.db2.gz XTKUIIVPDBFGRM-UHFFFAOYSA-N 0 3 423.579 1.793 20 0 HDADHN CCNC(=O)c1ccc(CNC(=O)N2CCN(C(=O)CN(CC)CC)CC2)cc1 ZINC000509296196 1075866955 /nfs/dbraw/zinc/86/69/55/1075866955.db2.gz XYPMOECNLHBCPS-UHFFFAOYSA-N 0 3 403.527 1.132 20 0 HDADHN COC(=O)[C@@H](CC(F)F)NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000611191340 1075873214 /nfs/dbraw/zinc/87/32/14/1075873214.db2.gz RWWMLPXZHYKLJE-CQSZACIVSA-N 0 3 407.421 1.490 20 0 HDADHN CCOC(=O)c1sc(CNC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)nc1C ZINC000611210486 1075874958 /nfs/dbraw/zinc/87/49/58/1075874958.db2.gz KJVDFIRGHHXDDI-ZBFHGGJFSA-N 0 3 423.583 1.796 20 0 HDADHN CC(C)[C@@H]1CN(C(=O)c2cccc(C(=O)N3CCN(C)[C@H](C(C)C)C3)n2)CCN1C ZINC000489367048 1075883077 /nfs/dbraw/zinc/88/30/77/1075883077.db2.gz KHRKLWHVNSFYGP-SFTDATJTSA-N 0 3 415.582 1.906 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)CC1 ZINC000732838383 1075883392 /nfs/dbraw/zinc/88/33/92/1075883392.db2.gz GDBGIBFDZQYNDC-CQSZACIVSA-N 0 3 411.572 1.924 20 0 HDADHN COC(=O)c1cccc([C@H](C(=O)OC)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000611244301 1075884527 /nfs/dbraw/zinc/88/45/27/1075884527.db2.gz QBDHFEOCHDSMMU-ZWKOTPCHSA-N 0 3 403.479 1.101 20 0 HDADHN COC(=O)C(C)(C)[C@H]1CCCN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000611321434 1075900138 /nfs/dbraw/zinc/90/01/38/1075900138.db2.gz PBQXPNUMWUNDRU-IRXDYDNUSA-N 0 3 403.479 1.775 20 0 HDADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732897089 1075900440 /nfs/dbraw/zinc/90/04/40/1075900440.db2.gz SVPPKVTWMYDNDX-QGZVFWFLSA-N 0 3 416.522 1.699 20 0 HDADHN C[C@@H](NCC(=O)NC(=O)Nc1ccc2c(c1)OCO2)c1ccc(-n2cncn2)cc1 ZINC000611376866 1075923830 /nfs/dbraw/zinc/92/38/30/1075923830.db2.gz FVVHKWIZOFAPCD-CYBMUJFWSA-N 0 3 408.418 1.995 20 0 HDADHN Cc1cc(Cn2nnc(C(=O)N3CCC(CN4C[C@H](C)O[C@@H](C)C4)CC3)c2C)no1 ZINC000509138747 1075987115 /nfs/dbraw/zinc/98/71/15/1075987115.db2.gz MRWSGQWUDAFZBD-HOTGVXAUSA-N 0 3 416.526 1.893 20 0 HDADHN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000733157416 1075990207 /nfs/dbraw/zinc/99/02/07/1075990207.db2.gz WUPSKGYGTCGWBR-SFHVURJKSA-N 0 3 416.570 1.199 20 0 HDADHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000733158430 1075991442 /nfs/dbraw/zinc/99/14/42/1075991442.db2.gz MWDVBVBFZVSCLQ-INIZCTEOSA-N 0 3 411.524 1.437 20 0 HDADHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733159026 1075992147 /nfs/dbraw/zinc/99/21/47/1075992147.db2.gz WYEYDSVWYFWRLW-CYBMUJFWSA-N 0 3 421.972 1.439 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)C2(OC)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000733161854 1075994215 /nfs/dbraw/zinc/99/42/15/1075994215.db2.gz KGAHWBJCRVBTAG-QGZVFWFLSA-N 0 3 412.575 1.545 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000733170770 1076000734 /nfs/dbraw/zinc/00/07/34/1076000734.db2.gz RYBJYIPRDNTJRI-PYUISTEWSA-N 0 3 408.568 1.461 20 0 HDADHN Cc1cc(Cn2nnc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)c2C)no1 ZINC000513689278 1076006570 /nfs/dbraw/zinc/00/65/70/1076006570.db2.gz BEXWWMMPAPZVPX-OAQYLSRUSA-N 0 3 410.478 1.298 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)NCCS(=O)(=O)C(C)(C)C)cc2)CC1 ZINC000733340291 1076046412 /nfs/dbraw/zinc/04/64/12/1076046412.db2.gz AEWLHXDXNVMIMI-UHFFFAOYSA-N 0 3 424.611 1.837 20 0 HDADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1NCC(=O)N1CCc2sccc2C1 ZINC001082755540 1076063754 /nfs/dbraw/zinc/06/37/54/1076063754.db2.gz MAKXVKNGOVXUHJ-FGTAOJJYSA-N 0 3 403.548 1.637 20 0 HDADHN O=C(Nc1cc2c(cc1Br)OCCO2)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000727232047 1076085759 /nfs/dbraw/zinc/08/57/59/1076085759.db2.gz VTIBSAUBVYQUSI-GFCCVEGCSA-N 0 3 424.295 1.856 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)COC(=O)CN(C)C(=O)C3CC3)cc2)CC1 ZINC000733514066 1076088048 /nfs/dbraw/zinc/08/80/48/1076088048.db2.gz OTZZGJUEJFDIAG-UHFFFAOYSA-N 0 3 402.495 1.179 20 0 HDADHN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN([C@H](C)C3CC3)C3CC3)C2=O)c1 ZINC000733793694 1076201854 /nfs/dbraw/zinc/20/18/54/1076201854.db2.gz RRLCXHOVFQCBBO-LRTDBIEQSA-N 0 3 400.479 1.756 20 0 HDADHN Cc1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c(CN(C)C)c1 ZINC000733782624 1076204678 /nfs/dbraw/zinc/20/46/78/1076204678.db2.gz WOUMSCGOOLEAMZ-HNNXBMFYSA-N 0 3 406.508 1.161 20 0 HDADHN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN(C3CC3)C3CCCC3)C2=O)c1 ZINC000733793779 1076215079 /nfs/dbraw/zinc/21/50/79/1076215079.db2.gz WZPNQLPRFDWFJZ-OAQYLSRUSA-N 0 3 400.479 1.900 20 0 HDADHN COCCN(C)CCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000727749059 1076223722 /nfs/dbraw/zinc/22/37/22/1076223722.db2.gz HTHLHYHDFNTKFM-UHFFFAOYSA-N 0 3 401.504 1.308 20 0 HDADHN CN(C)[C@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)cc1)Cc1ccccc1 ZINC000022682107 1076230419 /nfs/dbraw/zinc/23/04/19/1076230419.db2.gz SKSIMCDKHVPNRT-FQEVSTJZSA-N 0 3 403.548 1.681 20 0 HDADHN C[C@H]1C(=O)NCCN1CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000727759494 1076231624 /nfs/dbraw/zinc/23/16/24/1076231624.db2.gz ZLZAMZBUTAFOFU-IBGZPJMESA-N 0 3 421.545 1.768 20 0 HDADHN CS(=O)(=O)Cc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000534183907 1076246914 /nfs/dbraw/zinc/24/69/14/1076246914.db2.gz OBGPMCJEAGBWSR-LEWJYISDSA-N 0 3 416.543 1.844 20 0 HDADHN CCOC(=O)C1C(CN(CC)CC(C)(C)O)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000733896573 1076257262 /nfs/dbraw/zinc/25/72/62/1076257262.db2.gz JHXWMGBVLANILB-SFHVURJKSA-N 0 3 405.495 1.959 20 0 HDADHN COCCN(C)CCOc1cccc(CNS(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000727835889 1076265885 /nfs/dbraw/zinc/26/58/85/1076265885.db2.gz OWPJZMBPFMQQMJ-UHFFFAOYSA-N 0 3 416.931 1.509 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)CN1C(=S)N=NC1c1ccc(OC)cc1 ZINC000727860164 1076274649 /nfs/dbraw/zinc/27/46/49/1076274649.db2.gz UXIRQQRRUAZXSM-OAHLLOKOSA-N 0 3 405.524 1.469 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)CCN1C(=S)N=NC1c1ccc(OC)cc1 ZINC000727860095 1076274987 /nfs/dbraw/zinc/27/49/87/1076274987.db2.gz PSIXTEREIAFFAR-INIZCTEOSA-N 0 3 419.551 1.860 20 0 HDADHN COC(=O)C1=C(CN2CCN(CC(C)(C)O)CC2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000728055630 1076322682 /nfs/dbraw/zinc/32/26/82/1076322682.db2.gz XBBXKENNKBCESV-LJQANCHMSA-N 0 3 416.522 1.198 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)N1CCC(C)CC1 ZINC000728144052 1076343822 /nfs/dbraw/zinc/34/38/22/1076343822.db2.gz XJACZNMAZHMTMZ-INIZCTEOSA-N 0 3 406.502 1.837 20 0 HDADHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000728151988 1076347966 /nfs/dbraw/zinc/34/79/66/1076347966.db2.gz KYGHWSOOBSPDST-IDHHARJASA-N 0 3 400.504 1.668 20 0 HDADHN COC(=O)C1CCN(CCCNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000730212893 1076478273 /nfs/dbraw/zinc/47/82/73/1076478273.db2.gz HYGSDFVRBUBAFY-INIZCTEOSA-N 0 3 405.470 1.570 20 0 HDADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000730217332 1076479697 /nfs/dbraw/zinc/47/96/97/1076479697.db2.gz JICGYLBVTMOADM-HNNXBMFYSA-N 0 3 407.486 1.911 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000730219283 1076481225 /nfs/dbraw/zinc/48/12/25/1076481225.db2.gz YIBSSCRUSBSSPD-WOJBJXKFSA-N 0 3 412.534 1.622 20 0 HDADHN CC(C)(C)OC(=O)N[C@@H]1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000730263442 1076505477 /nfs/dbraw/zinc/50/54/77/1076505477.db2.gz UDWSVLABYISFSM-CQSZACIVSA-N 0 3 412.512 1.262 20 0 HDADHN COCC(=O)Nc1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccn2)cc1 ZINC000730682203 1076632157 /nfs/dbraw/zinc/63/21/57/1076632157.db2.gz QPPVDXHRHDWEQX-UHFFFAOYSA-N 0 3 413.478 1.195 20 0 HDADHN CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(C)N2CCC(OC)CC2)c1 ZINC000730791156 1076659988 /nfs/dbraw/zinc/65/99/88/1076659988.db2.gz RCPOPNUWABEAQI-UHFFFAOYSA-N 0 3 417.959 1.867 20 0 HDADHN NS(=O)(=O)c1ccc(CCN2CCN(CCCOCC(F)(F)F)CC2)cc1 ZINC000730937674 1076697529 /nfs/dbraw/zinc/69/75/29/1076697529.db2.gz BFUZSRPHCGOIAB-UHFFFAOYSA-N 0 3 409.474 1.463 20 0 HDADHN Cc1c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)nnn1-c1ccc(OC(F)F)cc1 ZINC000731188698 1076742165 /nfs/dbraw/zinc/74/21/65/1076742165.db2.gz JFJSCEHKNXKMKE-GOEBONIOSA-N 0 3 407.421 1.770 20 0 HDADHN COC(=O)c1cc2ccncc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741080 720710575 /nfs/dbraw/zinc/71/05/75/720710575.db2.gz SPWDHOREMDGUPI-HOTGVXAUSA-N 0 3 406.446 1.548 20 0 HDADHN COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740379 720739054 /nfs/dbraw/zinc/73/90/54/720739054.db2.gz KKDHYMRMTCWVHD-DJSXQKDESA-N 0 3 420.473 1.881 20 0 HDADHN COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740378 720739805 /nfs/dbraw/zinc/73/98/05/720739805.db2.gz KKDHYMRMTCWVHD-CJBXHNHZSA-N 0 3 420.473 1.881 20 0 HDADHN COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740381 720740688 /nfs/dbraw/zinc/74/06/88/720740688.db2.gz KKDHYMRMTCWVHD-QBAOTHAWSA-N 0 3 420.473 1.881 20 0 HDADHN C[C@@H]1CCCN1C(=O)c1nn(-c2ccc(CN3CCOCC3)cn2)c2c1CNCC2 ZINC001164846659 720805505 /nfs/dbraw/zinc/80/55/05/720805505.db2.gz JQPLOANKDUJHPV-MRXNPFEDSA-N 0 3 410.522 1.370 20 0 HDADHN O=C(NC[C@@H]1OC[C@H]2CCN(c3ncccc3CN3CCCC3)C[C@@H]12)c1ccno1 ZINC001164854473 720914863 /nfs/dbraw/zinc/91/48/63/720914863.db2.gz FKWZYPAOSVBIQR-GGPKGHCWSA-N 0 3 411.506 1.937 20 0 HDADHN COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1ccc(CN2CCCC2)cn1 ZINC001164757396 721025077 /nfs/dbraw/zinc/02/50/77/721025077.db2.gz DUTBLNLWSOULRX-SFHVURJKSA-N 0 3 408.510 1.705 20 0 HDADHN COC(OC)c1c(CO)ccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865933 721120850 /nfs/dbraw/zinc/12/08/50/721120850.db2.gz QAABBVWNWWAEEP-RTBURBONSA-N 0 3 414.506 1.740 20 0 HDADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)ncc4N4CCOCC4)C[C@@H]3C2)cn1 ZINC001164764228 721137643 /nfs/dbraw/zinc/13/76/43/721137643.db2.gz HLFRDQMUBGRBQZ-IRXDYDNUSA-N 0 3 417.945 1.658 20 0 HDADHN CCNS(=O)(=O)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164879420 721143492 /nfs/dbraw/zinc/14/34/92/721143492.db2.gz RZWUXPYBYHWKDP-MSOLQXFVSA-N 0 3 417.535 1.255 20 0 HDADHN COC(=O)CSc1cncc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164879883 721162415 /nfs/dbraw/zinc/16/24/15/721162415.db2.gz UYPNALMRWUPYMP-IRXDYDNUSA-N 0 3 415.519 1.616 20 0 HDADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(N5CCOCC5)ncn4)C3)O2)CC1 ZINC001164890523 721386740 /nfs/dbraw/zinc/38/67/40/721386740.db2.gz NWTWOILWWWPSCH-DENIHFKCSA-N 0 3 416.570 1.079 20 0 HDADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccnc(N5CCOCC5)n4)C3)O2)CC1 ZINC001164887086 721422129 /nfs/dbraw/zinc/42/21/29/721422129.db2.gz KWDOWOBWIPGWER-DENIHFKCSA-N 0 3 416.570 1.079 20 0 HDADHN Cc1nc(-n2cncn2)cc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164894929 721445123 /nfs/dbraw/zinc/44/51/23/721445123.db2.gz NLBBTSLLITZPDP-NQIIRXRSSA-N 0 3 412.542 1.131 20 0 HDADHN CN(Cc1cccnc1)[C@H]1CN(c2ccnc(N3CCN(C)CC3)n2)[C@@H]2CCCO[C@H]21 ZINC001164802622 721584841 /nfs/dbraw/zinc/58/48/41/721584841.db2.gz HHHACGHNZBVYCQ-RZUBCFFCSA-N 0 3 423.565 1.492 20 0 HDADHN O=C(c1cnccn1)N1CCOC2(CCN(c3ncccc3CN3CCCC3)CC2)C1 ZINC001165013533 721760075 /nfs/dbraw/zinc/76/00/75/721760075.db2.gz NIJPOUMAFXRDEE-UHFFFAOYSA-N 0 3 422.533 1.979 20 0 HDADHN CN1CCN(c2nccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164978902 722149734 /nfs/dbraw/zinc/14/97/34/722149734.db2.gz KRHGRMNBNJXEOD-LEWJYISDSA-N 0 3 423.565 1.351 20 0 HDADHN NC(=O)c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(C2CC2)n1 ZINC001164971692 722158005 /nfs/dbraw/zinc/15/80/05/722158005.db2.gz DACJLNKZOZZCOM-IEBWSBKVSA-N 0 3 408.506 1.575 20 0 HDADHN CN(C)Cc1ccnc(N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)c1 ZINC001165006523 722241927 /nfs/dbraw/zinc/24/19/27/722241927.db2.gz ZIIZIHDJRJIENK-KRWDZBQOSA-N 0 3 406.494 1.196 20 0 HDADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(C(=O)c3cccc4ccccc43)CC2)CC1=O ZINC000673635053 1073455768 /nfs/dbraw/zinc/45/57/68/1073455768.db2.gz NFXPWHXDWVLXOL-IBGZPJMESA-N 0 3 422.529 1.534 20 0 HDADHN CN(C)CCN1C[C@@H](C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1=O ZINC000673646004 1073511657 /nfs/dbraw/zinc/51/16/57/1073511657.db2.gz RUZGJHQZZLEIIE-SDDRHHMPSA-N 0 3 403.367 1.986 20 0 HDADHN Cc1nnc(CN(C)CC(=O)NCCCCN2CCN(c3ccccc3)CC2)n1C ZINC000509119211 1073589747 /nfs/dbraw/zinc/58/97/47/1073589747.db2.gz BESCTSZNDJETNU-UHFFFAOYSA-N 0 3 413.570 1.274 20 0 HDADHN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000673737945 1073671166 /nfs/dbraw/zinc/67/11/66/1073671166.db2.gz WVGAWRYILOXSCR-UHFFFAOYSA-N 0 3 409.412 1.811 20 0 HDADHN Cc1nc(S(=O)(=O)NCC(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)cn1C ZINC000673751935 1073685842 /nfs/dbraw/zinc/68/58/42/1073685842.db2.gz UXCGCLLBSUICJA-INIZCTEOSA-N 0 3 419.551 1.130 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000673753668 1073686280 /nfs/dbraw/zinc/68/62/80/1073686280.db2.gz OYZWRUYBKWZIKU-GOSISDBHSA-N 0 3 416.547 1.825 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000673758229 1073692869 /nfs/dbraw/zinc/69/28/69/1073692869.db2.gz XFUNTPAPOSORGT-HNNXBMFYSA-N 0 3 411.506 1.645 20 0 HDADHN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000673750728 1073694275 /nfs/dbraw/zinc/69/42/75/1073694275.db2.gz FEBWKSBYQUBXPJ-PXNSSMCTSA-N 0 3 400.523 1.237 20 0 HDADHN CCCN(CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)CC(N)=O ZINC000429127675 1073709714 /nfs/dbraw/zinc/70/97/14/1073709714.db2.gz KXNCQIHNAICRTN-UHFFFAOYSA-N 0 3 404.920 1.116 20 0 HDADHN COCCN1CC[C@@H](NC(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)C1 ZINC000429126028 1073713175 /nfs/dbraw/zinc/71/31/75/1073713175.db2.gz GYNTVJMGXYRFOF-GOSISDBHSA-N 0 3 404.511 1.780 20 0 HDADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000057177707 1073796443 /nfs/dbraw/zinc/79/64/43/1073796443.db2.gz ZNSUFMXNZIRMNX-UHFFFAOYSA-N 0 3 419.570 1.570 20 0 HDADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000057177707 1073796455 /nfs/dbraw/zinc/79/64/55/1073796455.db2.gz ZNSUFMXNZIRMNX-UHFFFAOYSA-N 0 3 419.570 1.570 20 0 HDADHN NC(=O)C1CCN(Cc2cccc(NC(=O)[C@H]3CCCN3c3ncccn3)c2)CC1 ZINC000673831870 1073801459 /nfs/dbraw/zinc/80/14/59/1073801459.db2.gz DINXAOLILRLDBB-LJQANCHMSA-N 0 3 408.506 1.781 20 0 HDADHN COC(=O)c1cccc(CCNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000509162959 1073808295 /nfs/dbraw/zinc/80/82/95/1073808295.db2.gz DMIIZYBYNPUSFZ-GOSISDBHSA-N 0 3 404.511 1.258 20 0 HDADHN O=C(NCCCCN1CCN(c2ncccn2)CC1)Nc1cnn(-c2ccncc2)c1 ZINC000673861258 1073829641 /nfs/dbraw/zinc/82/96/41/1073829641.db2.gz QNPWCMCWGOLUED-UHFFFAOYSA-N 0 3 421.509 1.781 20 0 HDADHN CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000673908194 1073876663 /nfs/dbraw/zinc/87/66/63/1073876663.db2.gz OVYYIKMDLOHIOT-SFHVURJKSA-N 0 3 411.568 1.454 20 0 HDADHN COCCCOc1ccc(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000509183664 1073969144 /nfs/dbraw/zinc/96/91/44/1073969144.db2.gz KGSRJWMADFUZGE-HXUWFJFHSA-N 0 3 418.538 1.550 20 0 HDADHN C[C@@H]1CN(CCC2CCN(C(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2)C[C@@H](C)O1 ZINC000429185862 1074003723 /nfs/dbraw/zinc/00/37/23/1074003723.db2.gz SXFSBCMFRFBEQA-NUJGCVRESA-N 0 3 401.573 1.342 20 0 HDADHN COCCOc1ccc(Cl)cc1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000673989975 1074011933 /nfs/dbraw/zinc/01/19/33/1074011933.db2.gz YLFRUANZZBRVCW-KRWDZBQOSA-N 0 3 409.914 1.920 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2cccc(OCC(=O)OC)c2)CC1 ZINC000509196964 1074051843 /nfs/dbraw/zinc/05/18/43/1074051843.db2.gz OSICFRIVPBLTFB-UHFFFAOYSA-N 0 3 406.483 1.256 20 0 HDADHN CN(C)CCn1c2cc(NC(=O)c3cccc(CS(C)(=O)=O)c3)ccc2oc1=O ZINC000058738348 1074057836 /nfs/dbraw/zinc/05/78/36/1074057836.db2.gz ANFQMFLXKHFUQJ-UHFFFAOYSA-N 0 3 417.487 1.953 20 0 HDADHN NC(=O)C[C@@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000466625977 1074145994 /nfs/dbraw/zinc/14/59/94/1074145994.db2.gz CVJCUVSXGFPJBK-HXUWFJFHSA-N 0 3 402.539 1.376 20 0 HDADHN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N(C)CCN(C)C ZINC000429218357 1074153923 /nfs/dbraw/zinc/15/39/23/1074153923.db2.gz UYXIUMRZTMPMIB-UHFFFAOYSA-N 0 3 414.528 1.132 20 0 HDADHN CC[C@@H](C)N(C)CCn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001545674892 1074237845 /nfs/dbraw/zinc/23/78/45/1074237845.db2.gz MYXXCGAPSUXWGB-SJLPKXTDSA-N 0 3 420.583 1.618 20 0 HDADHN CN1CC[C@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)[C@@H]1c1ccccc1 ZINC000429224612 1074245816 /nfs/dbraw/zinc/24/58/16/1074245816.db2.gz YJPKBDGWXOEELV-LIRRHRJNSA-N 0 3 408.462 1.944 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000674309757 1074267956 /nfs/dbraw/zinc/26/79/56/1074267956.db2.gz KTHXELJNZIQOAE-ZWKOTPCHSA-N 0 3 409.527 1.195 20 0 HDADHN COC1CCN(CCNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000674309677 1074268088 /nfs/dbraw/zinc/26/80/88/1074268088.db2.gz HXYIRKWBKOEUSF-IBGZPJMESA-N 0 3 409.552 1.457 20 0 HDADHN COC1CCN(CCNC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)CC1 ZINC000674314191 1074269538 /nfs/dbraw/zinc/26/95/38/1074269538.db2.gz BPOPWKPDXBKDRA-UHFFFAOYSA-N 0 3 412.556 1.996 20 0 HDADHN COC1CCN(CCNC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000674326297 1074276400 /nfs/dbraw/zinc/27/64/00/1074276400.db2.gz CTMQZQPYEOKKLD-UHFFFAOYSA-N 0 3 418.947 1.028 20 0 HDADHN COC1CCN(CCNC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)CC1 ZINC000674326378 1074276881 /nfs/dbraw/zinc/27/68/81/1074276881.db2.gz ADGLJJLGKSXMRR-HXUWFJFHSA-N 0 3 404.555 1.340 20 0 HDADHN COC1CCN(CCNC(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)CC1 ZINC000674328081 1074277006 /nfs/dbraw/zinc/27/70/06/1074277006.db2.gz HBUYOHHBARTUIY-IBGZPJMESA-N 0 3 403.571 1.607 20 0 HDADHN COc1ccc(CN2CC[C@H](NC(=O)NCCN3CCC(OC)CC3)C2=O)cc1 ZINC000674329787 1074279076 /nfs/dbraw/zinc/27/90/76/1074279076.db2.gz OBLDZDYKMIFGRL-IBGZPJMESA-N 0 3 404.511 1.206 20 0 HDADHN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000674360571 1074292730 /nfs/dbraw/zinc/29/27/30/1074292730.db2.gz TVUACPQMJNUISC-MRXNPFEDSA-N 0 3 401.486 1.924 20 0 HDADHN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000674360571 1074292739 /nfs/dbraw/zinc/29/27/39/1074292739.db2.gz TVUACPQMJNUISC-MRXNPFEDSA-N 0 3 401.486 1.924 20 0 HDADHN O=C(NCC1(CN2CCOCC2)CCCCC1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000674404444 1074315361 /nfs/dbraw/zinc/31/53/61/1074315361.db2.gz PGXRURSFFKGGEV-PMACEKPBSA-N 0 3 408.587 1.510 20 0 HDADHN C[C@H](CNC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)N(C)Cc1ccccc1 ZINC000674432031 1074342539 /nfs/dbraw/zinc/34/25/39/1074342539.db2.gz GEQWKDKXGNHVPG-LDBYXDLTSA-N 0 3 401.511 1.527 20 0 HDADHN C[C@H](CNC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)N(C)Cc1ccccc1 ZINC000674432030 1074342643 /nfs/dbraw/zinc/34/26/43/1074342643.db2.gz GEQWKDKXGNHVPG-KUDFPVQQSA-N 0 3 401.511 1.527 20 0 HDADHN Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)N(C)C)cc1 ZINC000674431741 1074343039 /nfs/dbraw/zinc/34/30/39/1074343039.db2.gz UFPIMEXQWCDJHZ-WWMYMODYSA-N 0 3 401.511 1.617 20 0 HDADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCC3(CO)CCCCC3)cc21 ZINC000674484827 1074389466 /nfs/dbraw/zinc/38/94/66/1074389466.db2.gz OQOJFDSYSNDKGB-UHFFFAOYSA-N 0 3 418.494 1.154 20 0 HDADHN C[C@H](N[C@@H]1Cc2cccc(O)c2C1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000429234651 1074452109 /nfs/dbraw/zinc/45/21/09/1074452109.db2.gz ZFXJTVSJGJZQHV-LAUBAEHRSA-N 0 3 409.530 1.986 20 0 HDADHN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000674593966 1074472900 /nfs/dbraw/zinc/47/29/00/1074472900.db2.gz TXEHYHYCAIAHHS-YWZLYKJASA-N 0 3 417.531 1.975 20 0 HDADHN C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2cccs2)C(=O)N1c1cnn(C)c1 ZINC000674636950 1074491492 /nfs/dbraw/zinc/49/14/92/1074491492.db2.gz WAGSAOXTWDJALE-RHSMWYFYSA-N 0 3 404.540 1.749 20 0 HDADHN CN(C)CCN(Cc1cccs1)C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000674631018 1074495110 /nfs/dbraw/zinc/49/51/10/1074495110.db2.gz JZMJQVMAWSUSED-UHFFFAOYSA-N 0 3 414.528 1.808 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCN(CC3CCCCC3)CC2)C1=O ZINC000674643992 1074502509 /nfs/dbraw/zinc/50/25/09/1074502509.db2.gz PRMKSXMEEWWILY-UWJYYQICSA-N 0 3 405.543 1.614 20 0 HDADHN Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC000674876139 1074598974 /nfs/dbraw/zinc/59/89/74/1074598974.db2.gz BWRHLTWJSVBFLD-KRWDZBQOSA-N 0 3 405.524 1.042 20 0 HDADHN CCN1C[C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)[C@@H](C)C1 ZINC000674898643 1074606157 /nfs/dbraw/zinc/60/61/57/1074606157.db2.gz RZZCSFRBUGCBBL-LIRRHRJNSA-N 0 3 410.474 1.973 20 0 HDADHN CN1CCN(CCCNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)[C@H](c2ccccc2)C1 ZINC000674916358 1074613655 /nfs/dbraw/zinc/61/36/55/1074613655.db2.gz BWRQYYDVNPGMMO-FKBYEOEOSA-N 0 3 416.566 1.955 20 0 HDADHN COCCN(C)CCOc1cccc(CNC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000674922678 1074622533 /nfs/dbraw/zinc/62/25/33/1074622533.db2.gz PUDGCXXZQDEJMM-LEWJYISDSA-N 0 3 421.538 1.733 20 0 HDADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000674916897 1074627573 /nfs/dbraw/zinc/62/75/73/1074627573.db2.gz GXAMURUBFUDOHN-VXKWHMMOSA-N 0 3 416.566 1.784 20 0 HDADHN COC1CCN(CCNC(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 ZINC000674996951 1074674006 /nfs/dbraw/zinc/67/40/06/1074674006.db2.gz NTBOBOOGMISVDI-IBGZPJMESA-N 0 3 402.539 1.630 20 0 HDADHN CCN1C(=O)[C@H]2CN(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCCC3)CCN2C1=O ZINC000675096238 1074708855 /nfs/dbraw/zinc/70/88/55/1074708855.db2.gz WYAWCBCGCRLGND-RBUKOAKNSA-N 0 3 413.522 1.810 20 0 HDADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675291910 1074782355 /nfs/dbraw/zinc/78/23/55/1074782355.db2.gz WQSVENLCIANVSK-JKIFEVAISA-N 0 3 422.476 1.423 20 0 HDADHN CCn1c(CNC(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)nc2ccccc21 ZINC000785478243 1074799962 /nfs/dbraw/zinc/79/99/62/1074799962.db2.gz NKMHFEPUECVQMO-GOSISDBHSA-N 0 3 407.518 1.962 20 0 HDADHN Cc1cc(NC(=O)CN2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)no1 ZINC000471225407 1075105189 /nfs/dbraw/zinc/10/51/89/1075105189.db2.gz DNUNMYGRASBODI-UHFFFAOYSA-N 0 3 413.522 1.882 20 0 HDADHN COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)CC1 ZINC000532087312 1075124375 /nfs/dbraw/zinc/12/43/75/1075124375.db2.gz ZWIBZKHRRDPCOX-UHFFFAOYSA-N 0 3 413.522 1.876 20 0 HDADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000675433367 1075142723 /nfs/dbraw/zinc/14/27/23/1075142723.db2.gz NKFUQLXMVDYVJI-DYVFJYSZSA-N 0 3 422.888 1.301 20 0 HDADHN CCO[C@H]1C[C@H](NCC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C1(CC)CC ZINC000429347577 1075154216 /nfs/dbraw/zinc/15/42/16/1075154216.db2.gz WRFVZROIVOZPGL-IRXDYDNUSA-N 0 3 413.540 1.855 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)c2ccccc2O1 ZINC000675492113 1075176047 /nfs/dbraw/zinc/17/60/47/1075176047.db2.gz RCOYBNGRMHUORV-MRXNPFEDSA-N 0 3 422.493 1.092 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)c2ccccc2O1 ZINC000675492109 1075176074 /nfs/dbraw/zinc/17/60/74/1075176074.db2.gz RCOYBNGRMHUORV-INIZCTEOSA-N 0 3 422.493 1.092 20 0 HDADHN CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)ccc1OC ZINC000675512040 1075190641 /nfs/dbraw/zinc/19/06/41/1075190641.db2.gz DVGDXKMZEIUABL-OAHLLOKOSA-N 0 3 419.503 1.573 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccs2)c2ccccc2O1 ZINC000675512678 1075191616 /nfs/dbraw/zinc/19/16/16/1075191616.db2.gz ZRAGLGSMQXWVDT-AWEZNQCLSA-N 0 3 409.533 1.772 20 0 HDADHN CN(C)C(=O)CN1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000675539250 1075195624 /nfs/dbraw/zinc/19/56/24/1075195624.db2.gz BLTIWXWXYAQSQP-UHFFFAOYSA-N 0 3 419.595 1.516 20 0 HDADHN O=C(CCNC(=O)c1ccc(Br)cc1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000675539029 1075195909 /nfs/dbraw/zinc/19/59/09/1075195909.db2.gz RKPAMJQWGWYDHF-QGZVFWFLSA-N 0 3 424.339 1.939 20 0 HDADHN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000675539030 1075195945 /nfs/dbraw/zinc/19/59/45/1075195945.db2.gz RTCMQVFRAPMICC-IBGZPJMESA-N 0 3 412.538 1.808 20 0 HDADHN COc1ccc(-n2cnnc2SCC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000675541043 1075196931 /nfs/dbraw/zinc/19/69/31/1075196931.db2.gz OGDKXBBUSNPDBZ-QGZVFWFLSA-N 0 3 417.535 1.738 20 0 HDADHN CC1CCN(CC(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)CC1 ZINC000675563610 1075204897 /nfs/dbraw/zinc/20/48/97/1075204897.db2.gz ZFGNJWWEABRTHS-UHFFFAOYSA-N 0 3 401.555 1.567 20 0 HDADHN COCCn1ccc(NC(=O)C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)n1 ZINC000444494526 1075206797 /nfs/dbraw/zinc/20/67/97/1075206797.db2.gz AXBQRHVDRRGCDP-LJQANCHMSA-N 0 3 413.522 1.667 20 0 HDADHN COc1ncc(NC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)cc1C(N)=O ZINC000675571785 1075208709 /nfs/dbraw/zinc/20/87/09/1075208709.db2.gz PHFZZIITKBAFSL-UHFFFAOYSA-N 0 3 421.461 1.318 20 0 HDADHN CN(C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000675576855 1075210334 /nfs/dbraw/zinc/21/03/34/1075210334.db2.gz TUFVSCLZOFCBMS-HMFYCAOWSA-N 0 3 413.522 1.623 20 0 HDADHN Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)no1 ZINC000557023240 1075212980 /nfs/dbraw/zinc/21/29/80/1075212980.db2.gz RQPIPSYHGGKDLZ-RHSMWYFYSA-N 0 3 418.519 2.249 20 0 HDADHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000483952780 1075227200 /nfs/dbraw/zinc/22/72/00/1075227200.db2.gz HVUZCLFNPGQVGV-INIZCTEOSA-N 0 3 404.902 1.909 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)Nc3cc4n(n3)CCCC4)cc2)CC1 ZINC000497872000 1075232605 /nfs/dbraw/zinc/23/26/05/1075232605.db2.gz BDHVTEDKZVUHMA-UHFFFAOYSA-N 0 3 424.549 1.612 20 0 HDADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1 ZINC000675595217 1075232760 /nfs/dbraw/zinc/23/27/60/1075232760.db2.gz KLPGOADGSUNPEH-VQTJNVASSA-N 0 3 411.506 1.734 20 0 HDADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)Nc3cc4n(n3)CCCC4)cc2)CC1 ZINC000508779024 1075232873 /nfs/dbraw/zinc/23/28/73/1075232873.db2.gz OGHZWHRHZBEYNF-UHFFFAOYSA-N 0 3 410.522 1.934 20 0 HDADHN COC[C@H](C)n1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)n1 ZINC000437253206 1075243336 /nfs/dbraw/zinc/24/33/36/1075243336.db2.gz SPZSZZYPQWAFMX-HNNXBMFYSA-N 0 3 405.474 1.759 20 0 HDADHN COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)n1 ZINC000443842693 1075247056 /nfs/dbraw/zinc/24/70/56/1075247056.db2.gz MWAONOFJEDJSII-BXWFABGCSA-N 0 3 401.511 2.145 20 0 HDADHN C[C@@H](CNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)CN1CCN(C)CC1 ZINC000429381810 1075276153 /nfs/dbraw/zinc/27/61/53/1075276153.db2.gz BICJXCCFMJLYMO-YJBOKZPZSA-N 0 3 407.946 1.628 20 0 HDADHN CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1 ZINC001129073493 1075278342 /nfs/dbraw/zinc/27/83/42/1075278342.db2.gz GSFXNVAQWXJTLT-HOJAQTOUSA-N 0 3 419.547 1.595 20 0 HDADHN CO[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1Cl ZINC000676004184 1075322311 /nfs/dbraw/zinc/32/23/11/1075322311.db2.gz RMAZOKXARBQCKD-MSOLQXFVSA-N 0 3 408.930 1.976 20 0 HDADHN COC(=O)[C@H]1CCN(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)[C@H]1C(C)C ZINC000429393361 1075345928 /nfs/dbraw/zinc/34/59/28/1075345928.db2.gz JWMSEZGFEUEBAY-ICSRJNTNSA-N 0 3 401.507 1.715 20 0 HDADHN CN(C)[C@H]1Cc2ccccc2N(C(=O)C2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000731465672 1075357341 /nfs/dbraw/zinc/35/73/41/1075357341.db2.gz KZUIMGURPSTBEZ-SFHVURJKSA-N 0 3 405.506 1.860 20 0 HDADHN CCN1C(=O)c2ccc(C(=O)N3C[C@H](N(C)C)Cc4ccccc43)cc2S1(=O)=O ZINC000731467559 1075358137 /nfs/dbraw/zinc/35/81/37/1075358137.db2.gz MNXAGMWDWJCWBX-MRXNPFEDSA-N 0 3 413.499 1.984 20 0 HDADHN CCN1C(=O)c2ccc(C(=O)N3C[C@@H](N(C)C)Cc4ccccc43)cc2S1(=O)=O ZINC000731467558 1075358195 /nfs/dbraw/zinc/35/81/95/1075358195.db2.gz MNXAGMWDWJCWBX-INIZCTEOSA-N 0 3 413.499 1.984 20 0 HDADHN CC(=O)[C@@H]1CC(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)=NN1c1ccccc1 ZINC000731480108 1075371184 /nfs/dbraw/zinc/37/11/84/1075371184.db2.gz ANCJJEHXXHVOEQ-FQEVSTJZSA-N 0 3 413.522 1.269 20 0 HDADHN COc1ccc(NC(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)nn1 ZINC000556564013 1075433402 /nfs/dbraw/zinc/43/34/02/1075433402.db2.gz KFZMEJGJIMHRPV-UHFFFAOYSA-N 0 3 401.492 1.654 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000676242751 1075444682 /nfs/dbraw/zinc/44/46/82/1075444682.db2.gz AOQNBYVBRZWAHL-RXVVDRJESA-N 0 3 403.571 1.342 20 0 HDADHN CC(C)[C@@H](CNC(=O)CCC(=O)N1CCOc2ccccc21)N1CCN(C)CC1 ZINC000731687878 1075451124 /nfs/dbraw/zinc/45/11/24/1075451124.db2.gz UHQMZOOZKKCHCR-LJQANCHMSA-N 0 3 402.539 1.580 20 0 HDADHN CN(C)C(=O)CN1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000676295621 1075499317 /nfs/dbraw/zinc/49/93/17/1075499317.db2.gz RAHQPFYEUKEJBK-HXUWFJFHSA-N 0 3 401.555 1.629 20 0 HDADHN CC(C)(CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)NS(C)(=O)=O ZINC000671717565 1075514336 /nfs/dbraw/zinc/51/43/36/1075514336.db2.gz FAKHHRUFNMGGJA-HNNXBMFYSA-N 0 3 403.495 1.588 20 0 HDADHN O=C(Cc1csc(NC(=O)c2ccco2)n1)NC1CCN([C@H]2CCOC2)CC1 ZINC000676341486 1075515682 /nfs/dbraw/zinc/51/56/82/1075515682.db2.gz REQTYXVMFILWCB-HNNXBMFYSA-N 0 3 404.492 1.900 20 0 HDADHN C[C@@H]1Cc2cc(C(=O)NC3CCN([C@H]4CCOC4)CC3)ccc2N1S(C)(=O)=O ZINC000676344209 1075516698 /nfs/dbraw/zinc/51/66/98/1075516698.db2.gz JILFIWWQYATPIN-KDOFPFPSSA-N 0 3 407.536 1.380 20 0 HDADHN Cc1cc(C)c(S(=O)(=O)NCCC(=O)NC2CCN([C@@H]3CCOC3)CC2)c(C)c1 ZINC000676345027 1075518311 /nfs/dbraw/zinc/51/83/11/1075518311.db2.gz UYTFNRQJCOKHMC-LJQANCHMSA-N 0 3 423.579 1.650 20 0 HDADHN CCN1CCN(c2ccc(NS(=O)(=O)c3ccc(-n4cnnn4)cc3)cc2)CC1 ZINC000731780445 1075522288 /nfs/dbraw/zinc/52/22/88/1075522288.db2.gz CHVDYGHIRIKRBZ-UHFFFAOYSA-N 0 3 413.507 1.605 20 0 HDADHN COc1cnccc1N1CCN(C(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)CC1 ZINC000478493010 1075523046 /nfs/dbraw/zinc/52/30/46/1075523046.db2.gz RPQVVBNIFOBBFT-AWEZNQCLSA-N 0 3 419.507 1.796 20 0 HDADHN CN(CCNC(=O)C1CCN(S(=O)(=O)c2ccoc2)CC1)Cc1ccccc1 ZINC000509407476 1075525034 /nfs/dbraw/zinc/52/50/34/1075525034.db2.gz KKDLJSYRFOOHHI-UHFFFAOYSA-N 0 3 405.520 1.929 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)CC1 ZINC000676370420 1075536053 /nfs/dbraw/zinc/53/60/53/1075536053.db2.gz GZRVCACQBCKHLT-GOSISDBHSA-N 0 3 410.474 1.831 20 0 HDADHN Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCCC1 ZINC000676391972 1075540914 /nfs/dbraw/zinc/54/09/14/1075540914.db2.gz BQLYYTNSROPGHW-GOSISDBHSA-N 0 3 417.554 1.449 20 0 HDADHN O=C(CCN1CCC[C@H]1[C@H](O)C(F)(F)F)NN1C(=O)NC2(CCCCC2)C1=O ZINC000731842898 1075547931 /nfs/dbraw/zinc/54/79/31/1075547931.db2.gz JYXNYMQWCJNYLH-AAEUAGOBSA-N 0 3 406.405 1.050 20 0 HDADHN COC[C@H]1CCCN1C(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000676457866 1075554122 /nfs/dbraw/zinc/55/41/22/1075554122.db2.gz XZXJVKGVDZZCLG-RTBURBONSA-N 0 3 411.506 1.906 20 0 HDADHN COC[C@@H]1CCCN1C(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000676457863 1075554237 /nfs/dbraw/zinc/55/42/37/1075554237.db2.gz XZXJVKGVDZZCLG-MOPGFXCFSA-N 0 3 411.506 1.906 20 0 HDADHN COC1CCN(CCNC(=O)NCCNS(=O)(=O)c2cc(C)sc2C)CC1 ZINC000676472890 1075563553 /nfs/dbraw/zinc/56/35/53/1075563553.db2.gz LCNJJWRKANBWLN-UHFFFAOYSA-N 0 3 418.585 1.053 20 0 HDADHN Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000732114474 1075635954 /nfs/dbraw/zinc/63/59/54/1075635954.db2.gz NNISIDUTNGHRQZ-XDJHFCHBSA-N 0 3 401.490 1.215 20 0 HDADHN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000676696917 1075650510 /nfs/dbraw/zinc/65/05/10/1075650510.db2.gz LFNCMEYVWWBCKT-QGZVFWFLSA-N 0 3 402.543 1.022 20 0 HDADHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC001129251003 1075653865 /nfs/dbraw/zinc/65/38/65/1075653865.db2.gz DGNOWIDXNFKNOV-INIZCTEOSA-N 0 3 404.536 1.799 20 0 HDADHN Cc1nc(CN2CCC(CNC(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)oc1C ZINC000732257541 1075688603 /nfs/dbraw/zinc/68/86/03/1075688603.db2.gz SATGTFFFDUYXNG-MOPGFXCFSA-N 0 3 405.543 1.666 20 0 HDADHN C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)CN1C1CC1 ZINC000486216704 1075704583 /nfs/dbraw/zinc/70/45/83/1075704583.db2.gz BZTGPDKSILGTJG-CVEARBPZSA-N 0 3 409.538 1.664 20 0 HDADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000463264335 1075720715 /nfs/dbraw/zinc/72/07/15/1075720715.db2.gz GCOXLHLWZYTFRK-GOEBONIOSA-N 0 3 401.540 1.472 20 0 HDADHN CN(C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000606027018 1075723374 /nfs/dbraw/zinc/72/33/74/1075723374.db2.gz UAXNHPIFBHBJSF-UHFFFAOYSA-N 0 3 406.490 1.855 20 0 HDADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000505019824 1075723680 /nfs/dbraw/zinc/72/36/80/1075723680.db2.gz FZUPJYGQVKCBHC-UHFFFAOYSA-N 0 3 412.519 1.917 20 0 HDADHN Cn1nc(NC(=O)C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1C1CC1 ZINC000555035914 1075727847 /nfs/dbraw/zinc/72/78/47/1075727847.db2.gz QFZRUAPNSVPJAB-UHFFFAOYSA-N 0 3 413.444 2.158 20 0 HDADHN O=C1CCCN1C[C@H]1CCCCN1C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000732413213 1075738727 /nfs/dbraw/zinc/73/87/27/1075738727.db2.gz QVHKMYNAHVUMAW-QZTJIDSGSA-N 0 3 400.479 1.341 20 0 HDADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(C)CCCN2CCCC2)c1 ZINC000509262521 1075750847 /nfs/dbraw/zinc/75/08/47/1075750847.db2.gz HIPMEHSFGWABDY-UHFFFAOYSA-N 0 3 417.597 1.824 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cc(-c3cccc(F)c3)on2)CC1 ZINC000448094372 1075790454 /nfs/dbraw/zinc/79/04/54/1075790454.db2.gz NITAZMQUUKIJQQ-INIZCTEOSA-N 0 3 401.442 2.251 20 0 HDADHN CC(C)[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1nncn1C ZINC000509274685 1075793370 /nfs/dbraw/zinc/79/33/70/1075793370.db2.gz RUYTXIZNZUJXEW-QYZOEREBSA-N 0 3 400.527 1.694 20 0 HDADHN CCOC(=O)CC[C@H]1CCCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000611065822 1075823484 /nfs/dbraw/zinc/82/34/84/1075823484.db2.gz HESZLVUMARBVER-QZTJIDSGSA-N 0 3 410.559 1.694 20 0 HDADHN CC(C)(C)n1nnc(CCN2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C[C@@H]32)n1 ZINC001085039739 1075833819 /nfs/dbraw/zinc/83/38/19/1075833819.db2.gz MUWKNHOXGXIXER-DZVNLGKHSA-N 0 3 402.543 1.461 20 0 HDADHN COCC1CCN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)CC1 ZINC000732797092 1075860469 /nfs/dbraw/zinc/86/04/69/1075860469.db2.gz DPZKSVYMWUFCIW-QFIPXVFZSA-N 0 3 400.523 1.889 20 0 HDADHN CCOC(=O)COc1ccc(OCCN2CCC3(CC2)NC(=O)N(C)C3=O)cc1 ZINC000611178940 1075870403 /nfs/dbraw/zinc/87/04/03/1075870403.db2.gz IUNLKPBOLOPZLQ-UHFFFAOYSA-N 0 3 405.451 1.024 20 0 HDADHN COC(=O)c1ccc(OC[C@@H](O)CN[C@@]2(CO)CCc3ccccc32)c(OC)c1 ZINC000611225182 1075880234 /nfs/dbraw/zinc/88/02/34/1075880234.db2.gz UDARVIWJNJYTLB-HTAPYJJXSA-N 0 3 401.459 1.645 20 0 HDADHN COC(=O)c1cccc([C@@H](C(=O)OC)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000611244300 1075884613 /nfs/dbraw/zinc/88/46/13/1075884613.db2.gz QBDHFEOCHDSMMU-ROUUACIJSA-N 0 3 403.479 1.101 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732887202 1075893238 /nfs/dbraw/zinc/89/32/38/1075893238.db2.gz HUMLDRCEHVDKCD-MSOLQXFVSA-N 0 3 407.559 1.116 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732887203 1075893328 /nfs/dbraw/zinc/89/33/28/1075893328.db2.gz HUMLDRCEHVDKCD-QZTJIDSGSA-N 0 3 407.559 1.116 20 0 HDADHN COc1ccc(S(=O)(=O)N2CCC(CNc3cc(C)nc(N)n3)CC2)cc1OC ZINC000732984029 1075938129 /nfs/dbraw/zinc/93/81/29/1075938129.db2.gz YDAWEBDQEUIAKJ-UHFFFAOYSA-N 0 3 421.523 1.897 20 0 HDADHN CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC(OCC[NH+](C)C)CC2)ccc1F ZINC000733154994 1075988145 /nfs/dbraw/zinc/98/81/45/1075988145.db2.gz WOWIYKPBMLHZCQ-UHFFFAOYSA-N 0 3 415.531 1.695 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)CC1 ZINC000733170018 1075999802 /nfs/dbraw/zinc/99/98/02/1075999802.db2.gz INCQNCSDGRCXEK-SMEDBKPVSA-N 0 3 415.517 1.509 20 0 HDADHN CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)CN1CC[C@@H](C)C1 ZINC001081102015 1076002312 /nfs/dbraw/zinc/00/23/12/1076002312.db2.gz YPSFBALATULXJE-UCTAPSKPSA-N 0 3 403.567 1.839 20 0 HDADHN COC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 ZINC000733197928 1076003208 /nfs/dbraw/zinc/00/32/08/1076003208.db2.gz VQQPIOVHTQXDHQ-ULXKQSRTSA-N 0 3 421.563 1.490 20 0 HDADHN CN(C)CCN1CCN(C(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)CC1=O ZINC001164526827 1076047573 /nfs/dbraw/zinc/04/75/73/1076047573.db2.gz JACHLCGJTIXQPM-UHFFFAOYSA-N 0 3 410.540 1.965 20 0 HDADHN COCCS(=O)(=O)CCCOC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000733463761 1076081824 /nfs/dbraw/zinc/08/18/24/1076081824.db2.gz QBKAMBOSRDZJDY-ZDUSSCGKSA-N 0 3 405.419 1.312 20 0 HDADHN COC(=O)N1CCC[C@H](NC(=O)N(C)C2CCN(CCc3ccccn3)CC2)C1 ZINC000727228872 1076085112 /nfs/dbraw/zinc/08/51/12/1076085112.db2.gz VSMMFOMJNZELLT-SFHVURJKSA-N 0 3 403.527 1.961 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN3CCN(C(=O)C(C)C)CC3)cc2)CC1 ZINC000727240152 1076087898 /nfs/dbraw/zinc/08/78/98/1076087898.db2.gz VELIQJALFJYNST-UHFFFAOYSA-N 0 3 401.555 1.567 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc2)CC1 ZINC000733668602 1076149185 /nfs/dbraw/zinc/14/91/85/1076149185.db2.gz JPBXXRMGBQHZKO-HZPDHXFCSA-N 0 3 424.567 1.047 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@H](C)CS(=O)(=O)CC)cc2)CC1 ZINC000733671040 1076153236 /nfs/dbraw/zinc/15/32/36/1076153236.db2.gz SBDRICCMYIYWLJ-MRXNPFEDSA-N 0 3 424.567 1.049 20 0 HDADHN CO[C@H](CNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)C(F)(F)F ZINC000733672385 1076153689 /nfs/dbraw/zinc/15/36/89/1076153689.db2.gz VBCVSGGIKLWTRT-OAHLLOKOSA-N 0 3 419.469 1.910 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](OC)C(F)(F)F)cc2)CC1 ZINC000733674000 1076157084 /nfs/dbraw/zinc/15/70/84/1076157084.db2.gz NZEVGLQCWCCRCN-OAHLLOKOSA-N 0 3 402.417 1.461 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(F)c(NC(=O)OC)c2)CC1 ZINC000727610189 1076180040 /nfs/dbraw/zinc/18/00/40/1076180040.db2.gz LPVDKBZGZGIOPZ-ZDUSSCGKSA-N 0 3 409.462 1.085 20 0 HDADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCCSC(C)(C)C)ccc2oc1=O ZINC000727622090 1076187866 /nfs/dbraw/zinc/18/78/66/1076187866.db2.gz ZFTCPCSADVLJSN-UHFFFAOYSA-N 0 3 408.524 1.743 20 0 HDADHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727753569 1076225993 /nfs/dbraw/zinc/22/59/93/1076225993.db2.gz WDJPDARSWSRWLW-PKOBYXMFSA-N 0 3 400.504 1.670 20 0 HDADHN CCN(CC)[C@@H](CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1ccsc1 ZINC000727756059 1076230215 /nfs/dbraw/zinc/23/02/15/1076230215.db2.gz RAPFPWNGISHYFN-DOTOQJQBSA-N 0 3 408.549 1.977 20 0 HDADHN COCCN(C)CCOc1cccc(CNC(=O)N2CCN(C(=O)OC)CC2)c1 ZINC000727943975 1076292450 /nfs/dbraw/zinc/29/24/50/1076292450.db2.gz KOIBGQMXZDOOQP-UHFFFAOYSA-N 0 3 408.499 1.237 20 0 HDADHN Cc1cc(N2CCN(C(=O)CN3CCC[C@H](C4OCCO4)C3)CC2)nc(C(C)C)n1 ZINC000728053828 1076320473 /nfs/dbraw/zinc/32/04/73/1076320473.db2.gz SXSCQHRBVINDRL-SFHVURJKSA-N 0 3 417.554 1.642 20 0 HDADHN COc1ccc(CN2CCN(C(=O)CN3CCC[C@H](C4OCCO4)C3)CC2)cc1 ZINC000728053062 1076321271 /nfs/dbraw/zinc/32/12/71/1076321271.db2.gz GOVLBNUPRJTVBB-IBGZPJMESA-N 0 3 403.523 1.424 20 0 HDADHN O=C(CN1CCC[C@@H](C2OCCO2)C1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000728054674 1076321495 /nfs/dbraw/zinc/32/14/95/1076321495.db2.gz ZAWLJZPWBJORKD-HXUWFJFHSA-N 0 3 415.534 1.351 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@@H](C)C1 ZINC000728135388 1076340084 /nfs/dbraw/zinc/34/00/84/1076340084.db2.gz IYRRKDRROCQSEI-CVEARBPZSA-N 0 3 406.502 1.837 20 0 HDADHN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000025252528 1076350628 /nfs/dbraw/zinc/35/06/28/1076350628.db2.gz HZUSAMKQWZGOGM-FUHWJXTLSA-N 0 3 417.531 1.753 20 0 HDADHN CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000730219210 1076480835 /nfs/dbraw/zinc/48/08/35/1076480835.db2.gz WKPHYIYBTPSJHC-LSDHHAIUSA-N 0 3 412.556 1.237 20 0 HDADHN C[C@H](O)[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000730261348 1076503368 /nfs/dbraw/zinc/50/33/68/1076503368.db2.gz IBCBEILLLJLMLL-MTRKFGIMSA-N 0 3 421.563 1.367 20 0 HDADHN CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC000730264020 1076504573 /nfs/dbraw/zinc/50/45/73/1076504573.db2.gz KMYCFQYNQHDEFU-JKSUJKDBSA-N 0 3 410.559 1.691 20 0 HDADHN C[C@H](NC(=O)OC(C)(C)C)C1CCN([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000730265912 1076507032 /nfs/dbraw/zinc/50/70/32/1076507032.db2.gz UPIHBFGQDGUNNW-ZOBUZTSGSA-N 0 3 410.559 1.724 20 0 HDADHN COC(=O)N(C)c1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccn2)cc1 ZINC000730682403 1076637684 /nfs/dbraw/zinc/63/76/84/1076637684.db2.gz XVHUFDQQHTYEPP-UHFFFAOYSA-N 0 3 413.478 1.813 20 0 HDADHN COC1CCN(C(C)(C)CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)CC1 ZINC000730791491 1076659991 /nfs/dbraw/zinc/65/99/91/1076659991.db2.gz SXXNHGUNDKHCSF-UHFFFAOYSA-N 0 3 415.531 1.695 20 0 HDADHN COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000731039058 1076716884 /nfs/dbraw/zinc/71/68/84/1076716884.db2.gz PPADCFMAQMWDDO-ZPIQOJFGSA-N 0 3 412.508 1.510 20 0 HDADHN Cc1ccccc1C[C@H](CO)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000466890710 1126093560 /nfs/dbraw/zinc/09/35/60/1126093560.db2.gz DLNCMTADAYJWAY-HXUWFJFHSA-N 0 3 404.532 1.709 20 0 HDADHN CCOC(=O)c1cnc([S@](C)=O)nc1-n1nc(CN(C)C(C)C)c2c1CNCC2 ZINC001164680615 719637017 /nfs/dbraw/zinc/63/70/17/719637017.db2.gz YPJXJTRZKLLRDU-LJAQVGFWSA-N 0 3 420.539 1.062 20 0 HDADHN CCOC(=O)c1cnc(SC)nc1N1CCC2(CCCN2CC(=O)NC)CC1 ZINC001164684488 719697910 /nfs/dbraw/zinc/69/79/10/719697910.db2.gz ISZSMFYVTXBSCJ-UHFFFAOYSA-N 0 3 407.540 1.556 20 0 HDADHN O=C([C@@H]1COC[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@@H]21)N1CCCCO1 ZINC001164704191 719920773 /nfs/dbraw/zinc/92/07/73/719920773.db2.gz OVVNMJKBMSLFDS-HSALFYBXSA-N 0 3 400.523 1.930 20 0 HDADHN CN(Cc1ccc(N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@H]3C2)nc1)C1CC1 ZINC001164703618 719922620 /nfs/dbraw/zinc/92/26/20/719922620.db2.gz LCJHFDXKKPOFQP-HOJAQTOUSA-N 0 3 400.523 1.929 20 0 HDADHN COC(=O)c1ccc2c(c1)ncnc2N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745728 720634416 /nfs/dbraw/zinc/63/44/16/720634416.db2.gz WEJGLENKKSYFLZ-CVEARBPZSA-N 0 3 406.446 1.548 20 0 HDADHN CCOC(=O)c1cc2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2[nH]1 ZINC001164737579 720675633 /nfs/dbraw/zinc/67/56/33/720675633.db2.gz GJSIPIMGDBNSNK-HOTGVXAUSA-N 0 3 408.462 1.872 20 0 HDADHN CN(C)c1nc(-c2ccccc2)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740499 720721090 /nfs/dbraw/zinc/72/10/90/720721090.db2.gz QQHVXWFRCPPFDS-QZTJIDSGSA-N 0 3 418.505 1.737 20 0 HDADHN COC(=O)CSc1cccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164742821 720744222 /nfs/dbraw/zinc/74/42/22/720744222.db2.gz OMILWAMESSATTC-LSDHHAIUSA-N 0 3 401.492 1.479 20 0 HDADHN Cc1nc2c(nc(Cl)nc2N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1C ZINC001164738660 720752861 /nfs/dbraw/zinc/75/28/61/720752861.db2.gz GNNOZUQNSLZFLM-OLZOCXBDSA-N 0 3 400.874 1.457 20 0 HDADHN Clc1nc2c(Cl)ncnc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164748281 720794672 /nfs/dbraw/zinc/79/46/72/720794672.db2.gz QILRXBCKISJRQI-GHMZBOCLSA-N 0 3 419.276 1.859 20 0 HDADHN COC(=O)c1nc2cnccc2c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865236 721102601 /nfs/dbraw/zinc/10/26/01/721102601.db2.gz JQVQDWZYJDKHQC-SJORKVTESA-N 0 3 420.473 1.686 20 0 HDADHN CN1CCOc2c(Cl)nnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c21 ZINC001164872219 721129517 /nfs/dbraw/zinc/12/95/17/721129517.db2.gz GYEFNIKBJQAPHU-JKSUJKDBSA-N 0 3 416.913 1.833 20 0 HDADHN CN1CCc2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2C1 ZINC001164872192 721183540 /nfs/dbraw/zinc/18/35/40/721183540.db2.gz GUPZWRIGDJMWFV-DLBZAZTESA-N 0 3 414.941 1.993 20 0 HDADHN CCNS(=O)(=O)c1ccc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164771510 721196972 /nfs/dbraw/zinc/19/69/72/721196972.db2.gz QTEIFEGWGVKETG-DLBZAZTESA-N 0 3 404.540 1.072 20 0 HDADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(S(=O)(=O)NC5CC5)cn4)C[C@@H]3C2)cn1 ZINC001164767555 721202903 /nfs/dbraw/zinc/20/29/03/721202903.db2.gz JZLULYFLXSZXRS-IRXDYDNUSA-N 0 3 416.551 1.214 20 0 HDADHN CNC(=O)[C@]12CN(c3ccc(CN4CCCC4)cn3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164866489 721206755 /nfs/dbraw/zinc/20/67/55/721206755.db2.gz BJMYAYIOAJLGFM-WMZHIEFXSA-N 0 3 421.549 1.689 20 0 HDADHN COC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)cc1OC ZINC001164890967 721388463 /nfs/dbraw/zinc/38/84/63/721388463.db2.gz PPWBPSJBPIWIPI-VGSWGCGISA-N 0 3 418.538 1.642 20 0 HDADHN Cc1cn(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)nn2)cn1 ZINC001164883721 721424392 /nfs/dbraw/zinc/42/43/92/721424392.db2.gz BXBLULRDWWZXAH-DENIHFKCSA-N 0 3 411.554 1.736 20 0 HDADHN CCOC(=O)Cc1ccnc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1 ZINC001164885398 721451722 /nfs/dbraw/zinc/45/17/22/721451722.db2.gz DNKUBAVJEOOXTO-REWPJTCUSA-N 0 3 416.566 1.953 20 0 HDADHN Cc1nc(CN2CCOC[C@]3(CN(c4cc(N(C)C)nc(C)n4)CCO3)C2)cs1 ZINC001164925529 721823868 /nfs/dbraw/zinc/82/38/68/721823868.db2.gz RTTFUNWDKORQBF-HXUWFJFHSA-N 0 3 418.567 1.724 20 0 HDADHN CN(Cc1ccc(N2C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@@H]32)nc1)C1CC1 ZINC001164973624 722093542 /nfs/dbraw/zinc/09/35/42/722093542.db2.gz BHDQDHCRPDHIFP-CMKODMSKSA-N 0 3 410.522 1.576 20 0 HDADHN CCOC(=O)Cc1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164981467 722131402 /nfs/dbraw/zinc/13/14/02/722131402.db2.gz ORZZWLIGRSSTIY-ICSRJNTNSA-N 0 3 411.506 1.705 20 0 HDADHN CNS(=O)(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164973296 722140056 /nfs/dbraw/zinc/14/00/56/722140056.db2.gz BRQSZPVQUBXYGW-IEBWSBKVSA-N 0 3 417.535 1.112 20 0 HDADHN CN1CCN(c2ncnc3c2CCN(c2ncccc2CN2CCCC2)CC3)CC1 ZINC001165002725 722239712 /nfs/dbraw/zinc/23/97/12/722239712.db2.gz XRAWMOLJCBWLBV-UHFFFAOYSA-N 0 3 407.566 1.824 20 0 HDADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000429044444 1073456888 /nfs/dbraw/zinc/45/68/88/1073456888.db2.gz UIZMCLQOOJSHKV-KNQAVFIVSA-N 0 3 400.523 1.589 20 0 HDADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCCN2Cc3ccccc3C2)c1 ZINC000671395748 1073474024 /nfs/dbraw/zinc/47/40/24/1073474024.db2.gz BXUURSAPVYOBMB-UHFFFAOYSA-N 0 3 424.545 1.717 20 0 HDADHN O=C(CCC(=O)N1CCCN(C[C@@H]2CCCO2)CC1)N1CC(=O)Nc2ccccc21 ZINC000625190512 1073557957 /nfs/dbraw/zinc/55/79/57/1073557957.db2.gz QHGKOBXSPRZWHG-KRWDZBQOSA-N 0 3 414.506 1.465 20 0 HDADHN COC(=O)Nc1cc(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)ccc1F ZINC000766018301 1073620281 /nfs/dbraw/zinc/62/02/81/1073620281.db2.gz DLEFDINOSKGPHT-MRXNPFEDSA-N 0 3 407.446 1.774 20 0 HDADHN CN(Cc1ccccc1)[C@H]1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000673715627 1073653543 /nfs/dbraw/zinc/65/35/43/1073653543.db2.gz HSGXVTYDDFMEEQ-SFHVURJKSA-N 0 3 402.520 1.479 20 0 HDADHN CCN(CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)C[C@H]1CCOC1 ZINC000673755098 1073690035 /nfs/dbraw/zinc/69/00/35/1073690035.db2.gz RXQXOQSJUBMFES-HXUWFJFHSA-N 0 3 416.566 1.745 20 0 HDADHN NC(=O)C[C@@H](NCCS(=O)(=O)c1cccc(Br)c1)C1CCOCC1 ZINC000543491579 1073817495 /nfs/dbraw/zinc/81/74/95/1073817495.db2.gz XDQQJMZQDPSORM-OAHLLOKOSA-N 0 3 419.341 1.483 20 0 HDADHN CC(C)OCCN1CCC(NC(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000673879179 1073851481 /nfs/dbraw/zinc/85/14/81/1073851481.db2.gz WFGFSYLWPXEKAA-UHFFFAOYSA-N 0 3 416.519 1.162 20 0 HDADHN O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1nc2n(n1)CCCN2 ZINC000673926638 1073906822 /nfs/dbraw/zinc/90/68/22/1073906822.db2.gz NADOPOWTRYJVBN-UHFFFAOYSA-N 0 3 404.902 1.278 20 0 HDADHN CCN(C(=O)NCCNS(=O)(=O)NC(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000429173229 1073940328 /nfs/dbraw/zinc/94/03/28/1073940328.db2.gz ANUUJYNHJZAWAV-GOSISDBHSA-N 0 3 411.572 1.125 20 0 HDADHN C[C@H]1CN(CC2CCN(C(=O)NC3CCN(c4cccnn4)CC3)CC2)C[C@H](C)O1 ZINC000429175639 1073949988 /nfs/dbraw/zinc/94/99/88/1073949988.db2.gz KDMYVETYDAABNX-ROUUACIJSA-N 0 3 416.570 1.976 20 0 HDADHN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)C(=O)N1CCC[C@@H](O)C1 ZINC000670441355 1073967870 /nfs/dbraw/zinc/96/78/70/1073967870.db2.gz NYSGDIGOZXMZFU-BHIFYINESA-N 0 3 407.514 1.754 20 0 HDADHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000543524647 1074004789 /nfs/dbraw/zinc/00/47/89/1074004789.db2.gz MKCARFXTOYYAEO-GJZGRUSLSA-N 0 3 422.551 1.445 20 0 HDADHN C[C@@H]1CN(C[C@@H](O)CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000484452968 1074011270 /nfs/dbraw/zinc/01/12/70/1074011270.db2.gz NXQUIFGALMYAOP-OPYAIIAOSA-N 0 3 407.530 1.373 20 0 HDADHN C[C@H](C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)N1C(=O)c2ccccc2C1=O ZINC000058737781 1074057906 /nfs/dbraw/zinc/05/79/06/1074057906.db2.gz VPZCTRURYKAVRR-CYBMUJFWSA-N 0 3 422.441 1.779 20 0 HDADHN COC(=O)NCc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000766058360 1074155530 /nfs/dbraw/zinc/15/55/30/1074155530.db2.gz CNSWSQVRUZGGJQ-QGZVFWFLSA-N 0 3 403.483 1.313 20 0 HDADHN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000674192635 1074206200 /nfs/dbraw/zinc/20/62/00/1074206200.db2.gz ICWZZZMLFHZXCW-INIZCTEOSA-N 0 3 402.495 1.326 20 0 HDADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@H](n4ccnc4)C3)cc2)CC1 ZINC000674202064 1074216664 /nfs/dbraw/zinc/21/66/64/1074216664.db2.gz LBNUAYYTZRTLQF-NRFANRHFSA-N 0 3 424.549 1.823 20 0 HDADHN CN(Cc1ccccc1)[C@H]1CCN(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000674251055 1074243190 /nfs/dbraw/zinc/24/31/90/1074243190.db2.gz IUMPTUWRWFFGJW-FQEVSTJZSA-N 0 3 415.559 1.913 20 0 HDADHN CSc1ccncc1NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000674270813 1074251106 /nfs/dbraw/zinc/25/11/06/1074251106.db2.gz JBNTWGYBICZXFX-IRXDYDNUSA-N 0 3 414.531 1.741 20 0 HDADHN COCCN1CCC(NC(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)CC1 ZINC000140365965 1074263359 /nfs/dbraw/zinc/26/33/59/1074263359.db2.gz CDRJOPGRQVIQPF-UHFFFAOYSA-N 0 3 404.511 1.273 20 0 HDADHN COC1CCN(CCNC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000674309750 1074267986 /nfs/dbraw/zinc/26/79/86/1074267986.db2.gz KTHXELJNZIQOAE-MSOLQXFVSA-N 0 3 409.527 1.195 20 0 HDADHN COC1CCN(CCNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000674325086 1074273659 /nfs/dbraw/zinc/27/36/59/1074273659.db2.gz XFNMYGOLTZIUCN-UHFFFAOYSA-N 0 3 403.932 1.235 20 0 HDADHN COC1CCN(CCNC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)CC1 ZINC000674324902 1074274359 /nfs/dbraw/zinc/27/43/59/1074274359.db2.gz SUOYXFPIHLXMNO-JOCHJYFZSA-N 0 3 414.506 1.212 20 0 HDADHN COC1CCN(CCNC(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)CC1 ZINC000674326374 1074277018 /nfs/dbraw/zinc/27/70/18/1074277018.db2.gz ADGLJJLGKSXMRR-FQEVSTJZSA-N 0 3 404.555 1.340 20 0 HDADHN CCCn1ccnc1CCCN(C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000429227005 1074290619 /nfs/dbraw/zinc/29/06/19/1074290619.db2.gz MNFCQUXKHOTAFL-UHFFFAOYSA-N 0 3 419.551 1.394 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@H]2CN[C@@H](C(N)=O)c2ccc(Br)cc2)C1=O ZINC000674412839 1074313658 /nfs/dbraw/zinc/31/36/58/1074313658.db2.gz TTWZWNSTZXBWJC-PPHDSNJXSA-N 0 3 409.284 1.286 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1=O ZINC000674423671 1074326688 /nfs/dbraw/zinc/32/66/88/1074326688.db2.gz ADGIDEOCYTYNEX-SPEDKVCISA-N 0 3 413.522 1.843 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1=O ZINC000674438128 1074335700 /nfs/dbraw/zinc/33/57/00/1074335700.db2.gz GUHZDQWNEIEQDH-HMFYCAOWSA-N 0 3 413.522 1.843 20 0 HDADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)C1 ZINC000674455112 1074357808 /nfs/dbraw/zinc/35/78/08/1074357808.db2.gz WJKKQUIQTRHARN-YDGKCNFYSA-N 0 3 413.522 1.842 20 0 HDADHN CCN1C(=O)[C@H]2CN(CCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)CCN2C1=O ZINC000674500461 1074393162 /nfs/dbraw/zinc/39/31/62/1074393162.db2.gz DHDGTKATWVMEPJ-GOSISDBHSA-N 0 3 424.505 1.786 20 0 HDADHN COc1ccc(NC(=O)CN[C@H]2Cc3cccc(O)c3C2)cc1S(=O)(=O)N(C)C ZINC000429231205 1074403518 /nfs/dbraw/zinc/40/35/18/1074403518.db2.gz NVNSASUDKZYYQF-HNNXBMFYSA-N 0 3 419.503 1.347 20 0 HDADHN CN(CCN1CCCS1(=O)=O)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000674631885 1074496177 /nfs/dbraw/zinc/49/61/77/1074496177.db2.gz VXMRWJWWZZGJEQ-LJQANCHMSA-N 0 3 408.568 1.891 20 0 HDADHN CN(C)CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000674637988 1074497752 /nfs/dbraw/zinc/49/77/52/1074497752.db2.gz BJZDGISXYMQUIQ-KUHUBIRLSA-N 0 3 407.540 1.542 20 0 HDADHN COc1ccc(-n2cc(CNC(=O)N(CCN(C)C)C[C@@H]3CCCO3)nn2)cc1 ZINC000674874792 1074594108 /nfs/dbraw/zinc/59/41/08/1074594108.db2.gz ZKEOMSXTPHGMBW-IBGZPJMESA-N 0 3 402.499 1.528 20 0 HDADHN COc1cc(CN2CC[C@H](NC(=O)NCCN3CCC(OC)CC3)C2)cc(OC)c1 ZINC000674879446 1074600125 /nfs/dbraw/zinc/60/01/25/1074600125.db2.gz STEGQRGBYRIAPG-SFHVURJKSA-N 0 3 420.554 1.688 20 0 HDADHN Cc1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccco2)cc1C(=O)N(C)C ZINC000674900841 1074607654 /nfs/dbraw/zinc/60/76/54/1074607654.db2.gz YTXCMEBBZFRNHN-UHFFFAOYSA-N 0 3 400.479 1.819 20 0 HDADHN CN1CCN(Cc2ccc(CNC(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000674917484 1074614113 /nfs/dbraw/zinc/61/41/13/1074614113.db2.gz KTKPFSOCSRRZBC-SFTDATJTSA-N 0 3 402.539 1.523 20 0 HDADHN CCC(=O)N1CCC(NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000674911652 1074616804 /nfs/dbraw/zinc/61/68/04/1074616804.db2.gz KYWHLRSEVSETQX-UHFFFAOYSA-N 0 3 408.568 1.113 20 0 HDADHN CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H](c3cccs3)N3CCCC3)CCN2C1=O ZINC000675084166 1074700817 /nfs/dbraw/zinc/70/08/17/1074700817.db2.gz MRFYEBJZQLQEKA-CABCVRRESA-N 0 3 405.524 1.563 20 0 HDADHN CC[C@@H](CNC(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)N1CCc2ccccc2C1 ZINC000675088034 1074711479 /nfs/dbraw/zinc/71/14/79/1074711479.db2.gz VWFZZSUBPAZJOU-RBUKOAKNSA-N 0 3 413.522 1.501 20 0 HDADHN O=C(CN[C@H]1Cc2cccc(O)c2C1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000429317772 1074713197 /nfs/dbraw/zinc/71/31/97/1074713197.db2.gz PGGCYCXASQROTO-FUHWJXTLSA-N 0 3 406.548 1.797 20 0 HDADHN COCCNC(=O)C1CCN(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000675112712 1074717552 /nfs/dbraw/zinc/71/75/52/1074717552.db2.gz SLOZODRAYHMGDI-PXNSSMCTSA-N 0 3 402.539 1.834 20 0 HDADHN C[C@@H]1C[C@H](NC(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CN1Cc1ccccc1 ZINC000675106248 1074721680 /nfs/dbraw/zinc/72/16/80/1074721680.db2.gz PNIFNAYLEMCVJX-HBXLWWENSA-N 0 3 410.522 1.876 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccccc2CN2CCNC2=O)CC1 ZINC000543614714 1074752772 /nfs/dbraw/zinc/75/27/72/1074752772.db2.gz IIMHBSZTGNNGSJ-UHFFFAOYSA-N 0 3 416.526 1.230 20 0 HDADHN CS[C@H](CO)[C@@H](C)N[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766100335 1074770195 /nfs/dbraw/zinc/77/01/95/1074770195.db2.gz ZXOGILWLEFEQLQ-YWPYICTPSA-N 0 3 410.583 1.175 20 0 HDADHN C[C@@H](NC[C@H](O)c1ccsc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766109860 1074816925 /nfs/dbraw/zinc/81/69/25/1074816925.db2.gz PXYZATRRZZUXID-WBMJQRKESA-N 0 3 418.562 1.858 20 0 HDADHN CCOc1ccc(NC(=O)N(C)CCN(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000429250613 1075124262 /nfs/dbraw/zinc/12/42/62/1075124262.db2.gz GKSMZXZQBSWRJB-UHFFFAOYSA-N 0 3 414.528 1.132 20 0 HDADHN CCN(CC)S(=O)(=O)c1ccc(NC(=O)NC2CCN(CCOC)CC2)cc1 ZINC000143471204 1075127564 /nfs/dbraw/zinc/12/75/64/1075127564.db2.gz YPMGUQMJVZEXHG-UHFFFAOYSA-N 0 3 412.556 1.949 20 0 HDADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)C[C@@H]3CCOC3)cc2)CC1 ZINC000675409903 1075135299 /nfs/dbraw/zinc/13/52/99/1075135299.db2.gz QHRCJBRYJWHNSM-HKUYNNGSSA-N 0 3 402.539 1.694 20 0 HDADHN COCCCn1ccc(NC(=O)C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)n1 ZINC000427476979 1075147296 /nfs/dbraw/zinc/14/72/96/1075147296.db2.gz TZBPLDREGIMTHJ-QFIPXVFZSA-N 0 3 413.522 2.029 20 0 HDADHN CS(=O)(=O)C1CCN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000675479899 1075170221 /nfs/dbraw/zinc/17/02/21/1075170221.db2.gz DXLUXYBYNLYJID-UHFFFAOYSA-N 0 3 422.595 1.413 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2O1 ZINC000675491313 1075175224 /nfs/dbraw/zinc/17/52/24/1075175224.db2.gz IUGSADLMIFLCTL-INIZCTEOSA-N 0 3 403.504 1.906 20 0 HDADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000675511407 1075189471 /nfs/dbraw/zinc/18/94/71/1075189471.db2.gz HALJBNXEGMLPSB-UONOGXRCSA-N 0 3 409.533 1.771 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)c2ccccc2O1 ZINC000675512409 1075190349 /nfs/dbraw/zinc/19/03/49/1075190349.db2.gz NZBJOILMZIWJFI-INIZCTEOSA-N 0 3 421.494 1.850 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccs2)c2ccccc2O1 ZINC000675512679 1075191487 /nfs/dbraw/zinc/19/14/87/1075191487.db2.gz ZRAGLGSMQXWVDT-CQSZACIVSA-N 0 3 409.533 1.772 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2F)c2ccccc2O1 ZINC000675512471 1075191598 /nfs/dbraw/zinc/19/15/98/1075191598.db2.gz PMJWCQURZFNHCI-OAHLLOKOSA-N 0 3 421.494 1.850 20 0 HDADHN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000675538018 1075195001 /nfs/dbraw/zinc/19/50/01/1075195001.db2.gz PKDNUWXVYMHYEE-KRWDZBQOSA-N 0 3 409.552 1.747 20 0 HDADHN COc1ccc(C)cc1N1C[C@@H](C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1=O ZINC000675537750 1075195267 /nfs/dbraw/zinc/19/52/67/1075195267.db2.gz JTMRWEVCWWOWFF-WMZOPIPTSA-N 0 3 401.507 1.726 20 0 HDADHN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000675541684 1075198158 /nfs/dbraw/zinc/19/81/58/1075198158.db2.gz ZYINOHXIPMKZLY-RTBURBONSA-N 0 3 402.474 1.274 20 0 HDADHN C[C@H](CNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)N(C)Cc1ccccc1 ZINC000429366488 1075238617 /nfs/dbraw/zinc/23/86/17/1075238617.db2.gz SADNBBYCPWCXQY-CQSZACIVSA-N 0 3 410.478 2.019 20 0 HDADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c(OC)c1 ZINC000546801709 1075261031 /nfs/dbraw/zinc/26/10/31/1075261031.db2.gz XYHDXJJZUAZFGM-UHFFFAOYSA-N 0 3 407.558 1.323 20 0 HDADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)Cc3ccc(C(N)=O)nc3)CC2)cc1 ZINC001129048917 1075261224 /nfs/dbraw/zinc/26/12/24/1075261224.db2.gz FETCMXDUIYACSD-UHFFFAOYSA-N 0 3 409.490 1.462 20 0 HDADHN COC[C@@H](NCCN1CCN(S(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000675819551 1075276883 /nfs/dbraw/zinc/27/68/83/1075276883.db2.gz OMLUOFLYGPYYNN-MRXNPFEDSA-N 0 3 409.474 1.560 20 0 HDADHN Cc1ccc(NC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)c(CN(C)C)c1 ZINC000428047251 1075296721 /nfs/dbraw/zinc/29/67/21/1075296721.db2.gz ILPUSHKVIWFRHY-UHFFFAOYSA-N 0 3 424.505 1.999 20 0 HDADHN COc1ccccc1C(C)(C)CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000675967800 1075311272 /nfs/dbraw/zinc/31/12/72/1075311272.db2.gz IPPBDEUUFXNYFL-GOSISDBHSA-N 0 3 402.539 1.921 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H]([S@](=O)CC)C2)CC1 ZINC000429385215 1075317187 /nfs/dbraw/zinc/31/71/87/1075317187.db2.gz HJPJGLBYOJADFC-VCCADOKLSA-N 0 3 400.589 1.262 20 0 HDADHN CO[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1Cl ZINC000676004189 1075322337 /nfs/dbraw/zinc/32/23/37/1075322337.db2.gz RMAZOKXARBQCKD-ZWKOTPCHSA-N 0 3 408.930 1.976 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@]1(O)CCCc2ccccc21 ZINC000731404345 1075331201 /nfs/dbraw/zinc/33/12/01/1075331201.db2.gz ARYNTAZETRDGIN-KNQAVFIVSA-N 0 3 402.539 1.452 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccccc2SCC(N)=O)CC1 ZINC000509380291 1075340401 /nfs/dbraw/zinc/34/04/01/1075340401.db2.gz SCJZNKXCDJNXHE-UHFFFAOYSA-N 0 3 407.540 1.282 20 0 HDADHN Cc1cccc(CN(CCN(C)C)C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)c1 ZINC000429217888 1075344079 /nfs/dbraw/zinc/34/40/79/1075344079.db2.gz IEJIVFTVZVQVMK-UHFFFAOYSA-N 0 3 424.505 2.281 20 0 HDADHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000731469589 1075358529 /nfs/dbraw/zinc/35/85/29/1075358529.db2.gz SQQOMMVDTCDPLU-MRXNPFEDSA-N 0 3 419.503 1.434 20 0 HDADHN CCOC(=O)c1cn(CN2CCN(C(=O)CN(CC)CC)CC2)nc1C(F)(F)F ZINC000731495667 1075368342 /nfs/dbraw/zinc/36/83/42/1075368342.db2.gz HHJWOIWJYXUDJY-UHFFFAOYSA-N 0 3 419.448 1.522 20 0 HDADHN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N1CCCN(C[C@H]3CCCO3)CC1)C2=O ZINC000676113484 1075387014 /nfs/dbraw/zinc/38/70/14/1075387014.db2.gz SFTJFGWEROMSIA-VGOFRKELSA-N 0 3 420.554 1.591 20 0 HDADHN COc1ccc(Cn2ccc(NC(=O)C(=O)N[C@H](C)CN3CCC[C@@H](C)C3)n2)cc1 ZINC000426674502 1075404986 /nfs/dbraw/zinc/40/49/86/1075404986.db2.gz KDHFDWXSXOVCJR-IAGOWNOFSA-N 0 3 413.522 2.115 20 0 HDADHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccn(CCN2CCOCC2)n1)c1ccco1 ZINC000563987848 1075432347 /nfs/dbraw/zinc/43/23/47/1075432347.db2.gz GXVBOQZTPHWXPN-SJORKVTESA-N 0 3 404.515 2.059 20 0 HDADHN C[C@@H](NC(=O)NCCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CN(C)CCO1 ZINC000676243050 1075444041 /nfs/dbraw/zinc/44/40/41/1075444041.db2.gz GVVAWQQKJJTSNI-IRLDBZIGSA-N 0 3 417.598 1.603 20 0 HDADHN CS(=O)(=O)CCN1CCC(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000731685849 1075448434 /nfs/dbraw/zinc/44/84/34/1075448434.db2.gz DEDOJBOZNRFAGP-HXUWFJFHSA-N 0 3 422.595 1.632 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000731687536 1075449258 /nfs/dbraw/zinc/44/92/58/1075449258.db2.gz VXSXCYBSENWGCL-MRXNPFEDSA-N 0 3 401.486 1.375 20 0 HDADHN C[C@H]1CN(C(=O)NC2CCN(c3nccs3)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000466721487 1075452683 /nfs/dbraw/zinc/45/26/83/1075452683.db2.gz YUAUXTJXFFVXKP-WMZOPIPTSA-N 0 3 406.600 1.779 20 0 HDADHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000731683662 1075468395 /nfs/dbraw/zinc/46/83/95/1075468395.db2.gz IJDWWFKDPAPEKQ-YLJYHZDGSA-N 0 3 422.595 1.630 20 0 HDADHN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@H](C)[C@@H]3CN(C)CCO3)c2C1 ZINC000676280578 1075485999 /nfs/dbraw/zinc/48/59/99/1075485999.db2.gz JQEFMFREUBUMAX-GUXCAODWSA-N 0 3 402.539 1.821 20 0 HDADHN COC(=O)c1ccsc1N1CC[C@@H](N2CCC(N3CCO[C@H](C)C3)CC2)C1=O ZINC000466726077 1075493910 /nfs/dbraw/zinc/49/39/10/1075493910.db2.gz DMBSZIQIWCCHAU-RHSMWYFYSA-N 0 3 407.536 1.825 20 0 HDADHN CCNS(=O)(=O)CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000731752680 1075510191 /nfs/dbraw/zinc/51/01/91/1075510191.db2.gz KRGWZQDFGHYTCH-UHFFFAOYSA-N 0 3 400.570 1.339 20 0 HDADHN CC(C)(C)CCN1CCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC000731761375 1075515228 /nfs/dbraw/zinc/51/52/28/1075515228.db2.gz IYCFPGCZEHYHRL-UHFFFAOYSA-N 0 3 402.605 1.259 20 0 HDADHN O=C(N[C@@H](Cc1cccnc1)C(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccccc1 ZINC000676342730 1075515973 /nfs/dbraw/zinc/51/59/73/1075515973.db2.gz KXBKXCCMXJFFHI-VXKWHMMOSA-N 0 3 422.529 1.792 20 0 HDADHN COc1ccc([C@@H]2[C@H](C(=O)NC3CCN([C@H]4CCOC4)CC3)CC(=O)N2C)cc1 ZINC000676344168 1075517116 /nfs/dbraw/zinc/51/71/16/1075517116.db2.gz IJSIJZMGMBWNMV-FBBABVLZSA-N 0 3 401.507 1.584 20 0 HDADHN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676345106 1075518012 /nfs/dbraw/zinc/51/80/12/1075518012.db2.gz WJADZYXAGGCXNR-NQIIRXRSSA-N 0 3 416.497 1.724 20 0 HDADHN O=C(CCC(=O)N1CCN(c2ccccc2)CC1)NC1CCN([C@H]2CCOC2)CC1 ZINC000676344858 1075518197 /nfs/dbraw/zinc/51/81/97/1075518197.db2.gz JVVRMBPKXDOAKA-NRFANRHFSA-N 0 3 414.550 1.485 20 0 HDADHN Cc1cc(C)c(S(=O)(=O)NCCC(=O)NC2CCN([C@H]3CCOC3)CC2)c(C)c1 ZINC000676345026 1075518212 /nfs/dbraw/zinc/51/82/12/1075518212.db2.gz UYTFNRQJCOKHMC-IBGZPJMESA-N 0 3 423.579 1.650 20 0 HDADHN O=C(Cn1cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cn1)NC1CCCCC1 ZINC000676344485 1075518643 /nfs/dbraw/zinc/51/86/43/1075518643.db2.gz NUGFUWSMXCUWOI-LJQANCHMSA-N 0 3 403.527 1.315 20 0 HDADHN CCOC(=O)N1CCC(S(=O)(=O)N(CCN(C)C)C[C@@H]2CCCN2CC)CC1 ZINC000731853468 1075534807 /nfs/dbraw/zinc/53/48/07/1075534807.db2.gz FMGFLZSEQAXOGU-KRWDZBQOSA-N 0 3 418.604 1.285 20 0 HDADHN O=C1C[C@H](NCc2cccc(OCC(F)(F)F)c2)CN1CCN1CCOCC1 ZINC000676418720 1075548963 /nfs/dbraw/zinc/54/89/63/1075548963.db2.gz NOHIDYFYEQDSPY-INIZCTEOSA-N 0 3 401.429 1.650 20 0 HDADHN O=C1C[C@@H](NCc2cccc(OCC(F)(F)F)c2)CN1CCN1CCOCC1 ZINC000676418721 1075549049 /nfs/dbraw/zinc/54/90/49/1075549049.db2.gz NOHIDYFYEQDSPY-MRXNPFEDSA-N 0 3 401.429 1.650 20 0 HDADHN CCCCCC[N@H+](C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000731865647 1075558638 /nfs/dbraw/zinc/55/86/38/1075558638.db2.gz NUPVLWGTKOFODQ-UHFFFAOYSA-N 0 3 413.540 1.864 20 0 HDADHN CCCCCC[N@@H+](C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000731865647 1075558641 /nfs/dbraw/zinc/55/86/41/1075558641.db2.gz NUPVLWGTKOFODQ-UHFFFAOYSA-N 0 3 413.540 1.864 20 0 HDADHN CNC(=O)c1cncc(/C=C\C(=O)NCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000732057314 1075596469 /nfs/dbraw/zinc/59/64/69/1075596469.db2.gz MUAMHNHTGFTSTQ-HJWRWDBZSA-N 0 3 421.545 1.779 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1 ZINC000676615539 1075616717 /nfs/dbraw/zinc/61/67/17/1075616717.db2.gz SJHNFHHLUQILTP-CYBMUJFWSA-N 0 3 408.453 1.512 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1 ZINC000676616063 1075617256 /nfs/dbraw/zinc/61/72/56/1075617256.db2.gz JAZADPMJSKBHHB-AWEZNQCLSA-N 0 3 422.480 1.760 20 0 HDADHN CC(C)n1ncc2cc(C=CC(=O)N(C)CCCN3CCN(C)CC3)c(=O)[nH]c21 ZINC000732114454 1075635904 /nfs/dbraw/zinc/63/59/04/1075635904.db2.gz MUCBUKIQJMKNSS-SREVYHEPSA-N 0 3 400.527 1.415 20 0 HDADHN COc1ccc(NC(=O)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c(OC)n1 ZINC000676659250 1075640788 /nfs/dbraw/zinc/64/07/88/1075640788.db2.gz LCKOEXPCOBLSLW-CQSZACIVSA-N 0 3 413.478 1.774 20 0 HDADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000676659377 1075641040 /nfs/dbraw/zinc/64/10/40/1075641040.db2.gz NWCXMWYFTIXMAD-OAHLLOKOSA-N 0 3 421.501 1.648 20 0 HDADHN CCN1CCCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000732139342 1075647236 /nfs/dbraw/zinc/64/72/36/1075647236.db2.gz OGYFEHISCUTMBE-LLVKDONJSA-N 0 3 404.330 1.701 20 0 HDADHN CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000676733294 1075664589 /nfs/dbraw/zinc/66/45/89/1075664589.db2.gz IPIFZVWFTFPGSE-OAHLLOKOSA-N 0 3 413.515 1.354 20 0 HDADHN CC(=O)c1ccc(N2CCN(C(=O)CN(C)[C@H]3CCN(C4CC4)C3)CC2)c(F)c1 ZINC000732213877 1075669315 /nfs/dbraw/zinc/66/93/15/1075669315.db2.gz IXYMSIMGRQAIHP-IBGZPJMESA-N 0 3 402.514 1.845 20 0 HDADHN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)CC1=O ZINC000429461319 1075672602 /nfs/dbraw/zinc/67/26/02/1075672602.db2.gz IYCKKAHMMNSTBD-UNNPPQAFSA-N 0 3 406.571 1.917 20 0 HDADHN C[C@H]1CCc2c(sc3nc(CCN4CCC(C(=O)NCCO)CC4)nc(N)c32)C1 ZINC000732198617 1075674249 /nfs/dbraw/zinc/67/42/49/1075674249.db2.gz ZBVYSYHJRDTGFA-ZDUSSCGKSA-N 0 3 417.579 1.761 20 0 HDADHN COCc1ncc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)c(N)n1 ZINC000622608162 1075680035 /nfs/dbraw/zinc/68/00/35/1075680035.db2.gz XYIGAPWWIYNBDT-INIZCTEOSA-N 0 3 405.449 1.979 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000732232276 1075685157 /nfs/dbraw/zinc/68/51/57/1075685157.db2.gz HSVRSFJTVRFFRX-YQQAZPJKSA-N 0 3 411.572 1.985 20 0 HDADHN O=C(CCCN1CCN(c2ccccc2)CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000732258966 1075688930 /nfs/dbraw/zinc/68/89/30/1075688930.db2.gz WXVXPRNMPOUHRD-UHFFFAOYSA-N 0 3 413.522 1.875 20 0 HDADHN CN1CCN(Cc2ccc(CNC(=O)CNC(=O)OCC(F)(F)F)cc2)CC1 ZINC000732308232 1075696044 /nfs/dbraw/zinc/69/60/44/1075696044.db2.gz VIDCQHNULUCJPK-UHFFFAOYSA-N 0 3 402.417 1.339 20 0 HDADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000463264330 1075700154 /nfs/dbraw/zinc/70/01/54/1075700154.db2.gz GCOXLHLWZYTFRK-GDBMZVCRSA-N 0 3 401.540 1.472 20 0 HDADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000554762537 1075722582 /nfs/dbraw/zinc/72/25/82/1075722582.db2.gz OGCJKPRESXXODT-UHFFFAOYSA-N 0 3 408.453 1.840 20 0 HDADHN COC(=O)c1ccc(OC[C@@H](O)CN2CCCC[C@H]2CN2CCCC2=O)c(OC)c1 ZINC000732413438 1075739413 /nfs/dbraw/zinc/73/94/13/1075739413.db2.gz UWCOHUAESBNDDI-ROUUACIJSA-N 0 3 420.506 1.698 20 0 HDADHN Fc1ccc(OCCN2CCC(Nc3ccnc(N4CCOCC4)n3)CC2)cc1 ZINC000546051419 1075763775 /nfs/dbraw/zinc/76/37/75/1075763775.db2.gz RSYBIQWYVOUZIK-UHFFFAOYSA-N 0 3 401.486 2.408 20 0 HDADHN CCOC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)ccc1C ZINC000509448092 1075774498 /nfs/dbraw/zinc/77/44/98/1075774498.db2.gz FFWDXYVNAHUSHE-UHFFFAOYSA-N 0 3 423.535 1.100 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2nnc(-c3ccccc3)s2)CC1 ZINC000479953882 1075790128 /nfs/dbraw/zinc/79/01/28/1075790128.db2.gz DYRVVZPUJDXKHZ-OAHLLOKOSA-N 0 3 400.508 1.975 20 0 HDADHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C1 ZINC000484150326 1075797798 /nfs/dbraw/zinc/79/77/98/1075797798.db2.gz YAKBFINFFJJABW-AWEZNQCLSA-N 0 3 404.902 1.766 20 0 HDADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(-c4ccc(Cl)cc4Cl)n3)[C@H]2C1 ZINC000645620722 1075800507 /nfs/dbraw/zinc/80/05/07/1075800507.db2.gz QSDULZFAHRQLFI-ABAIWWIYSA-N 0 3 408.289 2.280 20 0 HDADHN C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC3CCS(=O)(=O)CC3)cc2)C1 ZINC000463146005 1075801080 /nfs/dbraw/zinc/80/10/80/1075801080.db2.gz RWMAEVRVQSAWHR-OAHLLOKOSA-N 0 3 400.566 1.774 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCNC(=O)c2ccccc2Cl)CC1 ZINC000509279042 1075812513 /nfs/dbraw/zinc/81/25/13/1075812513.db2.gz LFMJROMJRNFYOA-UHFFFAOYSA-N 0 3 423.945 1.265 20 0 HDADHN COC(=O)c1c(F)cccc1S(=O)(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000611025915 1075812933 /nfs/dbraw/zinc/81/29/33/1075812933.db2.gz LVPZKMJZDGUCNW-HNNXBMFYSA-N 0 3 413.515 1.401 20 0 HDADHN CCOC(=O)CC[C@H]1CCCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000611036361 1075818205 /nfs/dbraw/zinc/81/82/05/1075818205.db2.gz PAFBEHXSQDXUQL-GOSISDBHSA-N 0 3 424.586 1.101 20 0 HDADHN CCOC(=O)CC[C@H]1CCCN([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000611038055 1075818721 /nfs/dbraw/zinc/81/87/21/1075818721.db2.gz IRMZDRXNAPEQTK-ZWKOTPCHSA-N 0 3 403.527 1.569 20 0 HDADHN CCOC(=O)Cn1cccc(NC(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)c1=O ZINC000611097645 1075841792 /nfs/dbraw/zinc/84/17/92/1075841792.db2.gz RPXPGWRGQGDXSF-KRWDZBQOSA-N 0 3 419.526 1.044 20 0 HDADHN COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)c1 ZINC000611098487 1075843024 /nfs/dbraw/zinc/84/30/24/1075843024.db2.gz SGJMNHPOQWKJGV-OAHLLOKOSA-N 0 3 413.478 1.506 20 0 HDADHN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000429295054 1075846143 /nfs/dbraw/zinc/84/61/43/1075846143.db2.gz AAXRUZACVJHQPF-SQNIBIBYSA-N 0 3 418.538 1.749 20 0 HDADHN N[C@H]1C[C@@H]2CN(C(=O)c3cc(NCc4ccccc4)nc4ccccc43)CCN2C1=O ZINC000568267916 1075855822 /nfs/dbraw/zinc/85/58/22/1075855822.db2.gz OILGFQPTHANKKV-XLIONFOSSA-N 0 3 415.497 2.231 20 0 HDADHN O=C(CSc1cccc[n+]1[O-])Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000732781333 1075864983 /nfs/dbraw/zinc/86/49/83/1075864983.db2.gz ZCTDYMBHFJBSFD-UHFFFAOYSA-N 0 3 400.504 1.876 20 0 HDADHN COC(=O)CC1(CS(=O)(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)CC1 ZINC000611167703 1075865905 /nfs/dbraw/zinc/86/59/05/1075865905.db2.gz BYKWPZQMTVGXCJ-UHFFFAOYSA-N 0 3 401.573 1.150 20 0 HDADHN CCOC(=O)c1sc(CNC(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)nc1C ZINC000611210483 1075875104 /nfs/dbraw/zinc/87/51/04/1075875104.db2.gz KJVDFIRGHHXDDI-GDBMZVCRSA-N 0 3 423.583 1.796 20 0 HDADHN CCN(CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@H](C)CS(C)(=O)=O ZINC000732984984 1075938852 /nfs/dbraw/zinc/93/88/52/1075938852.db2.gz JYFWIFQUIUABFV-QGZVFWFLSA-N 0 3 410.584 1.522 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(CCO)CCc3ccccc3)cc2)CC1 ZINC000733046752 1075952214 /nfs/dbraw/zinc/95/22/14/1075952214.db2.gz FWAULRQXQHHXQT-UHFFFAOYSA-N 0 3 424.545 1.831 20 0 HDADHN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)ccc1N1C(=O)CCC1=O ZINC000733049140 1075955765 /nfs/dbraw/zinc/95/57/65/1075955765.db2.gz SFBBQWBKHNNHKE-MRXNPFEDSA-N 0 3 414.506 1.824 20 0 HDADHN COCCCN(C)CCNC(=O)C(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC000509714269 1075988075 /nfs/dbraw/zinc/98/80/75/1075988075.db2.gz MAHUHYKFMIWNBE-UHFFFAOYSA-N 0 3 409.552 1.223 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)/C(=C\c2cccc(OC)c2)n2nnnc2C)CC1 ZINC000733159858 1075992525 /nfs/dbraw/zinc/99/25/25/1075992525.db2.gz YHGFYCKYFRXVRB-ZGPWBKFBSA-N 0 3 413.526 1.130 20 0 HDADHN CCN1CCN(CCNC(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)CC1 ZINC000733161966 1075994611 /nfs/dbraw/zinc/99/46/11/1075994611.db2.gz ODNJMSIEXNEBNC-UHFFFAOYSA-N 0 3 414.547 1.270 20 0 HDADHN C[C@@H]1CN(C[C@H](O)CN[C@](C)(CO)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000511564245 1075995200 /nfs/dbraw/zinc/99/52/00/1075995200.db2.gz PWQRXLWURYRZPO-LTCOOKNTSA-N 0 3 401.345 1.716 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)CC1 ZINC000733170673 1076001053 /nfs/dbraw/zinc/00/10/53/1076001053.db2.gz PLNVOHYEINAOAK-TUYSUELWSA-N 0 3 414.554 1.709 20 0 HDADHN COC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 ZINC000733197938 1076003270 /nfs/dbraw/zinc/00/32/70/1076003270.db2.gz VQQPIOVHTQXDHQ-YWMGUWEJSA-N 0 3 421.563 1.490 20 0 HDADHN CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NCCN3CCC(C)CC3)C2)no1 ZINC000513992794 1076014179 /nfs/dbraw/zinc/01/41/79/1076014179.db2.gz VCBGZZLNQVKSGS-KRWDZBQOSA-N 0 3 406.531 1.496 20 0 HDADHN O=C(N[C@H](Cc1cccnc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1 ZINC000733256102 1076024353 /nfs/dbraw/zinc/02/43/53/1076024353.db2.gz CKWXXYVHCGPXAG-PWRODBHTSA-N 0 3 408.502 1.402 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN([C@H](C)CS(C)(=O)=O)C3CC3)cc2)CC1 ZINC000733311721 1076036696 /nfs/dbraw/zinc/03/66/96/1076036696.db2.gz UXONERDVOMZTOQ-QGZVFWFLSA-N 0 3 422.595 1.665 20 0 HDADHN COCCOC(=O)c1sc2[n-]c(CN3CC[C@H]([NH+]4CCCC4)C3)nc(=O)c2c1C ZINC000727159352 1076071842 /nfs/dbraw/zinc/07/18/42/1076071842.db2.gz KCHLWRUIVTYJAD-AWEZNQCLSA-N 0 3 420.535 1.766 20 0 HDADHN CN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)cc2Cl)CC1 ZINC000727232275 1076087067 /nfs/dbraw/zinc/08/70/67/1076087067.db2.gz ZWVGPZYVJNZOGX-QGZVFWFLSA-N 0 3 419.957 1.727 20 0 HDADHN Cc1occc1C(=O)NC1CCN(CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000727436737 1076120078 /nfs/dbraw/zinc/12/00/78/1076120078.db2.gz INAUYTVMUAJBLB-UHFFFAOYSA-N 0 3 404.492 1.971 20 0 HDADHN CN1CCC2(CC1)NC(=O)N(CN1CCC(NC(=O)Oc3ccccc3)CC1)C2=O ZINC000727428861 1076128292 /nfs/dbraw/zinc/12/82/92/1076128292.db2.gz YPCAMDBEXSWEPZ-UHFFFAOYSA-N 0 3 415.494 1.213 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000733650372 1076141235 /nfs/dbraw/zinc/14/12/35/1076141235.db2.gz ZGOGSEAQCMARMX-PKOBYXMFSA-N 0 3 402.495 1.766 20 0 HDADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000733665544 1076146928 /nfs/dbraw/zinc/14/69/28/1076146928.db2.gz JZPLXNUSMHKRBW-UHFFFAOYSA-N 0 3 421.885 1.897 20 0 HDADHN COCCN1CCC[C@H]1CNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000727702927 1076210151 /nfs/dbraw/zinc/21/01/51/1076210151.db2.gz GJDQEKXNWSDCSS-HNNXBMFYSA-N 0 3 400.570 1.334 20 0 HDADHN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN(C)C(C3CC3)C3CC3)C2=O)c1 ZINC000733794064 1076214709 /nfs/dbraw/zinc/21/47/09/1076214709.db2.gz BSCGPSXCEWTBOJ-OAQYLSRUSA-N 0 3 400.479 1.614 20 0 HDADHN C[C@@H]1C(=O)NCCN1CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000727759495 1076231679 /nfs/dbraw/zinc/23/16/79/1076231679.db2.gz ZLZAMZBUTAFOFU-LJQANCHMSA-N 0 3 421.545 1.768 20 0 HDADHN Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000733882211 1076238419 /nfs/dbraw/zinc/23/84/19/1076238419.db2.gz FKDFKJTXUZPKPD-MRXNPFEDSA-N 0 3 402.568 1.542 20 0 HDADHN CC(C)N1CCCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC000727807500 1076259571 /nfs/dbraw/zinc/25/95/71/1076259571.db2.gz XVNJKOOAZFLGHI-UHFFFAOYSA-N 0 3 418.563 1.790 20 0 HDADHN NC(=O)c1c2c(sc1NC(=O)CN1CCC(CN3CCOCC3)CC1)CCCC2 ZINC000727832978 1076264432 /nfs/dbraw/zinc/26/44/32/1076264432.db2.gz GSQSXUNIYHVZSA-UHFFFAOYSA-N 0 3 420.579 1.709 20 0 HDADHN COC(=O)Nc1ccc(CNC(=O)CN2CCC(CN3CCOCC3)CC2)cc1 ZINC000727833120 1076264460 /nfs/dbraw/zinc/26/44/60/1076264460.db2.gz NAFCXRXQMQZKQU-UHFFFAOYSA-N 0 3 404.511 1.525 20 0 HDADHN COCCN1CCC[C@H]1CNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000727838896 1076266653 /nfs/dbraw/zinc/26/66/53/1076266653.db2.gz SWEBZOZZKMMRIK-LSDHHAIUSA-N 0 3 404.964 1.405 20 0 HDADHN COCCN(CC(=O)Nc1cnccc1N1CCN(C)CC1)C(=O)OC(C)(C)C ZINC000733925375 1076268294 /nfs/dbraw/zinc/26/82/94/1076268294.db2.gz RIGOCUPAFVFSGF-UHFFFAOYSA-N 0 3 407.515 1.655 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000727865581 1076275427 /nfs/dbraw/zinc/27/54/27/1076275427.db2.gz ZKLACIXYCMQKJH-AWEZNQCLSA-N 0 3 403.932 1.431 20 0 HDADHN CCn1c(=O)c2ccccc2n(CC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1=O ZINC000734106189 1076308385 /nfs/dbraw/zinc/30/83/85/1076308385.db2.gz QOHDXLWOHFFQPB-IBGZPJMESA-N 0 3 420.513 1.964 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000730127294 1076459023 /nfs/dbraw/zinc/45/90/23/1076459023.db2.gz NRGFDCGEKPONPL-JKSUJKDBSA-N 0 3 411.547 1.238 20 0 HDADHN CN(C)CCN(Cc1ccccn1)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000730547863 1076598604 /nfs/dbraw/zinc/59/86/04/1076598604.db2.gz KDNGTHFXOLRDND-LJQANCHMSA-N 0 3 412.469 1.231 20 0 HDADHN CCn1c(=O)c2ccccc2n(CC(=O)N(CCN(C)C)Cc2ccccn2)c1=O ZINC000730548261 1076598684 /nfs/dbraw/zinc/59/86/84/1076598684.db2.gz YLGDITXWZHNPAM-UHFFFAOYSA-N 0 3 409.490 1.169 20 0 HDADHN COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(-n3ccnc3)nc2)CC1 ZINC000730916216 1076690121 /nfs/dbraw/zinc/69/01/21/1076690121.db2.gz WNXZEZUOYZEOAK-UHFFFAOYSA-N 0 3 400.483 1.211 20 0 HDADHN NS(=O)(=O)c1ccc(CCN2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000730940100 1076699056 /nfs/dbraw/zinc/69/90/56/1076699056.db2.gz VRVMXKQRACJNOK-QGZVFWFLSA-N 0 3 406.483 1.912 20 0 HDADHN O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1CC[C@H]2NCCO[C@H]2C1 ZINC001164390076 718824124 /nfs/dbraw/zinc/82/41/24/718824124.db2.gz LSDYMAHGSXSPLU-WTANOLMUSA-N 0 3 424.908 1.560 20 0 HDADHN Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@@H]4NCCO[C@@H]4C3)c2c1C ZINC001164389418 718824459 /nfs/dbraw/zinc/82/44/59/718824459.db2.gz IGMMMGAYMIJRQY-JKSUJKDBSA-N 0 3 403.552 1.707 20 0 HDADHN O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(N2CCN3CC[NH2+]C[C@H]3C2)nc1 ZINC001164402760 718841115 /nfs/dbraw/zinc/84/11/15/718841115.db2.gz HCSZZKADJQRPTB-AWEZNQCLSA-N 0 3 409.462 1.254 20 0 HDADHN O=C1NCCN(c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)C12CNC2 ZINC001164410711 718878806 /nfs/dbraw/zinc/87/88/06/718878806.db2.gz GEYAHEIKPBGYTM-UHFFFAOYSA-N 0 3 412.563 1.444 20 0 HDADHN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(Cl)nc2nc(C)[nH]c21 ZINC001164706746 719848699 /nfs/dbraw/zinc/84/86/99/719848699.db2.gz YJSHULWCSVCAOK-KPZWWZAWSA-N 0 3 408.890 1.547 20 0 HDADHN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1cc(Cl)nc2c1CCNC2 ZINC001164704425 719865598 /nfs/dbraw/zinc/86/55/98/719865598.db2.gz LXIKTTOUGXJPDG-VLIAUNLRSA-N 0 3 408.930 1.613 20 0 HDADHN O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]21 ZINC001164700765 719884333 /nfs/dbraw/zinc/88/43/33/719884333.db2.gz KZQXMQHWYHTJCO-GUDVDZBRSA-N 0 3 408.506 1.805 20 0 HDADHN O=C(Nc1cnccn1)[C@@H]1COC[C@@H]2CN(c3ncccc3CN3CCCC3)C[C@H]21 ZINC001164698280 719885078 /nfs/dbraw/zinc/88/50/78/719885078.db2.gz FAPOSXFYSGCNDI-IPMKNSEASA-N 0 3 408.506 1.805 20 0 HDADHN Cc1nc(N2CCCC2)cc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)n1 ZINC001164703219 719935051 /nfs/dbraw/zinc/93/50/51/719935051.db2.gz JEZDBAINVPICKQ-UHFFFAOYSA-N 0 3 424.553 1.069 20 0 HDADHN Cn1cnc2c1nc(N1CC[C@@H]3[C@H]1CCN3Cc1cccnc1)nc2N1CCOCC1 ZINC001164727847 720361232 /nfs/dbraw/zinc/36/12/32/720361232.db2.gz UQXUYBMKNFKTFE-QZTJIDSGSA-N 0 3 420.521 1.448 20 0 HDADHN c1cncc(CN2CC[C@@H]3[C@@H]2CCN3c2nc3c(c(N4CCOCC4)n2)CNC3)c1 ZINC001164735403 720425887 /nfs/dbraw/zinc/42/58/87/720425887.db2.gz XAAUZBKOTRNRGA-VQTJNVASSA-N 0 3 407.522 1.165 20 0 HDADHN c1nc2n(c1CN1CCCC1)CCN(c1nc(N3CCOCC3)nc3c1CCN3)CC2 ZINC001164732974 720557745 /nfs/dbraw/zinc/55/77/45/720557745.db2.gz HHWKVSDCAUDFQK-UHFFFAOYSA-N 0 3 424.553 1.136 20 0 HDADHN CCOC(=O)c1nc2ccccc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164742972 720627825 /nfs/dbraw/zinc/62/78/25/720627825.db2.gz NTKUUUSDGQHTDH-JKSUJKDBSA-N 0 3 420.473 1.938 20 0 HDADHN CCOC(=O)c1nc2ccccc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164742970 720628076 /nfs/dbraw/zinc/62/80/76/720628076.db2.gz NTKUUUSDGQHTDH-HZPDHXFCSA-N 0 3 420.473 1.938 20 0 HDADHN CCOC(=O)c1cc2cccnc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737621 720693162 /nfs/dbraw/zinc/69/31/62/720693162.db2.gz GPNVMDFIYNWUFZ-SJORKVTESA-N 0 3 420.473 1.938 20 0 HDADHN COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740380 720738464 /nfs/dbraw/zinc/73/84/64/720738464.db2.gz KKDHYMRMTCWVHD-IAFRVXFPSA-N 0 3 420.473 1.881 20 0 HDADHN O=c1ccccn1Cc1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164737177 720770012 /nfs/dbraw/zinc/77/00/12/720770012.db2.gz AJETZLHWFADKPD-RTBURBONSA-N 0 3 404.474 1.424 20 0 HDADHN c1nc2c(ncnc2N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1-c1ccccc1 ZINC001164751991 720797521 /nfs/dbraw/zinc/79/75/21/720797521.db2.gz YIYQFHRCTHKXBP-ZWKOTPCHSA-N 0 3 414.473 1.947 20 0 HDADHN CS(=O)(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)N2CC2CC2)C1 ZINC001164740256 720820879 /nfs/dbraw/zinc/82/08/79/720820879.db2.gz JWOMVYIIBVPASN-OKZBNKHCSA-N 0 3 416.551 1.456 20 0 HDADHN C[C@@H]1C(=O)Nc2cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2N1C ZINC001164866656 721093305 /nfs/dbraw/zinc/09/33/05/721093305.db2.gz UNZNLTGTSQQPNA-OIISXLGYSA-N 0 3 409.494 1.128 20 0 HDADHN CNC(=O)c1nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1Cl ZINC001164863394 721106663 /nfs/dbraw/zinc/10/66/63/721106663.db2.gz CFKFHKCGFFMXMR-HOTGVXAUSA-N 0 3 401.898 1.969 20 0 HDADHN COC(=O)c1cc2cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2n1C ZINC001164871526 721135277 /nfs/dbraw/zinc/13/52/77/721135277.db2.gz FFKCRHWOBZDWNZ-ZWKOTPCHSA-N 0 3 422.489 1.630 20 0 HDADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)ncc4N4CCOCC4)C[C@@H]3C2)cn1 ZINC001164764230 721138211 /nfs/dbraw/zinc/13/82/11/721138211.db2.gz HLFRDQMUBGRBQZ-SJORKVTESA-N 0 3 417.945 1.658 20 0 HDADHN CCNS(=O)(=O)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164879421 721142026 /nfs/dbraw/zinc/14/20/26/721142026.db2.gz RZWUXPYBYHWKDP-QZTJIDSGSA-N 0 3 417.535 1.255 20 0 HDADHN CCc1cc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc(N2CCOCC2)n1 ZINC001164762676 721164578 /nfs/dbraw/zinc/16/45/78/721164578.db2.gz DDIJPCANVWQKMH-MOPGFXCFSA-N 0 3 411.554 1.567 20 0 HDADHN COC(OC)c1c(CO)ccnc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164772355 721174609 /nfs/dbraw/zinc/17/46/09/721174609.db2.gz SWTWTYPTCWBUJN-FUHWJXTLSA-N 0 3 401.511 1.557 20 0 HDADHN CN1CCc2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2C1 ZINC001164872196 721182961 /nfs/dbraw/zinc/18/29/61/721182961.db2.gz GUPZWRIGDJMWFV-IRXDYDNUSA-N 0 3 414.941 1.993 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164769442 721194009 /nfs/dbraw/zinc/19/40/09/721194009.db2.gz MMIWJAFYROAKEQ-DLBZAZTESA-N 0 3 404.540 1.024 20 0 HDADHN CNC(=O)[C@@]12CN(c3ccc(CN4CCCC4)cn3)C[C@H]1N(c1ncccn1)CCC2 ZINC001164866490 721206804 /nfs/dbraw/zinc/20/68/04/721206804.db2.gz BJMYAYIOAJLGFM-XXBNENTESA-N 0 3 421.549 1.689 20 0 HDADHN CNC(=O)[C@@]12CN(c3ncccc3CN3CCCC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001164869287 721208422 /nfs/dbraw/zinc/20/84/22/721208422.db2.gz QADQDHFKBFIADZ-XXBNENTESA-N 0 3 421.549 1.689 20 0 HDADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5c4CN(C)CC5)C[C@@H]3C2)cn1 ZINC001164767230 721237133 /nfs/dbraw/zinc/23/71/33/721237133.db2.gz WKKPCAHCSCDROS-HOTGVXAUSA-N 0 3 401.946 1.810 20 0 HDADHN O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ncccc1CN1CCCC1)c1ccnnc1 ZINC001164878588 721324459 /nfs/dbraw/zinc/32/44/59/721324459.db2.gz PBROPXDMVIUKOY-WMQCIHAUSA-N 0 3 422.533 1.881 20 0 HDADHN O=C(COC[C@@]12COC[C@@H]1CN(c1ccc(CN3CCCC3)cn1)C2)N1CCCC1 ZINC001164882532 721337465 /nfs/dbraw/zinc/33/74/65/721337465.db2.gz FWDBIKCMTVESGP-NZQKXSOJSA-N 0 3 414.550 1.769 20 0 HDADHN O=C(COC[C@@]12COC[C@H]1CN(c1ncccc1CN1CCCC1)C2)N1CCCC1 ZINC001164886366 721338917 /nfs/dbraw/zinc/33/89/17/721338917.db2.gz RRBXGOZANVRZAJ-NFBKMPQASA-N 0 3 414.550 1.769 20 0 HDADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc(N5CCCC5)n4)C3)O2)CC1 ZINC001164888052 721378854 /nfs/dbraw/zinc/37/88/54/721378854.db2.gz JFAHCIVMJISXFP-KNQAVFIVSA-N 0 3 400.571 1.842 20 0 HDADHN CC(C)C(=O)N1CCO[C@]2(C1)COCCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001165024266 721787683 /nfs/dbraw/zinc/78/76/83/721787683.db2.gz RQIKEDGPJWLKKM-JOCHJYFZSA-N 0 3 402.539 1.768 20 0 HDADHN Cn1ccnc1C(=O)N[C@@H]1CN(c2ncccc2CN2CCCC2)[C@@H]2CCCO[C@H]12 ZINC001164984064 722093817 /nfs/dbraw/zinc/09/38/17/722093817.db2.gz VDEJBIJQAZIHSF-GUDVDZBRSA-N 0 3 410.522 1.577 20 0 HDADHN NC(=O)c1cc(Cl)cnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984378 722103569 /nfs/dbraw/zinc/10/35/69/722103569.db2.gz SWZWRTREIVSBGU-YJBOKZPZSA-N 0 3 401.898 1.956 20 0 HDADHN CCOC(=O)Cc1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164981466 722131856 /nfs/dbraw/zinc/13/18/56/722131856.db2.gz ORZZWLIGRSSTIY-AZUAARDMSA-N 0 3 411.506 1.705 20 0 HDADHN c1ncn(Cc2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2)n1 ZINC001164977026 722141898 /nfs/dbraw/zinc/14/18/98/722141898.db2.gz HUCUWBQSJIDWBK-LEWJYISDSA-N 0 3 405.506 1.844 20 0 HDADHN O=C1CSc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2N1 ZINC001164972096 722155992 /nfs/dbraw/zinc/15/59/92/722155992.db2.gz FKZPPNCNGPTPLM-JKSUJKDBSA-N 0 3 412.519 1.643 20 0 HDADHN Cn1cccc1C(=O)N1CCO[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]2C1 ZINC001165005157 722244125 /nfs/dbraw/zinc/24/41/25/722244125.db2.gz SMRFZWTVTLIZRG-CTNGQTDRSA-N 0 3 409.534 1.993 20 0 HDADHN Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]2C1 ZINC001165005160 722244334 /nfs/dbraw/zinc/24/43/34/722244334.db2.gz SMRFZWTVTLIZRG-TZIWHRDSSA-N 0 3 409.534 1.993 20 0 HDADHN CN(Cc1ccc(N2C[C@@H]3OCCN(C(=O)c4cccn4C)C[C@@H]3C2)nc1)C1CC1 ZINC001165003350 722244489 /nfs/dbraw/zinc/24/44/89/722244489.db2.gz KDRRARPYVVLSNE-NQIIRXRSSA-N 0 3 409.534 1.992 20 0 HDADHN C[C@H]1CN(CCC2CCN(C(=O)Nc3ccn(CC(=O)N(C)C)n3)CC2)C[C@H](C)O1 ZINC000429086275 1073532305 /nfs/dbraw/zinc/53/23/05/1073532305.db2.gz UOKLYQWFQCCSIN-IRXDYDNUSA-N 0 3 420.558 1.715 20 0 HDADHN CN(C)CCN(CCCc1ccccc1)C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000625179386 1073546650 /nfs/dbraw/zinc/54/66/50/1073546650.db2.gz DLQARWJNVWANJD-UHFFFAOYSA-N 0 3 406.552 1.902 20 0 HDADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)CC1=O ZINC000673657132 1073590345 /nfs/dbraw/zinc/59/03/45/1073590345.db2.gz SVXSJRSUXHJUCE-RTBURBONSA-N 0 3 407.518 1.527 20 0 HDADHN CN(C(=O)c1ccc(NC(=O)c2cccn3c(=O)[nH]nc23)cc1)[C@H]1CCCN(C)C1 ZINC000509124178 1073613605 /nfs/dbraw/zinc/61/36/05/1073613605.db2.gz QODAKCCMTJGYAQ-INIZCTEOSA-N 0 3 408.462 1.853 20 0 HDADHN NC(=O)c1ccccc1N1CC[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000673668610 1073621821 /nfs/dbraw/zinc/62/18/21/1073621821.db2.gz OLJZJMMYFSLJBY-IBGZPJMESA-N 0 3 421.545 1.693 20 0 HDADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1=O ZINC000673672452 1073626883 /nfs/dbraw/zinc/62/68/83/1073626883.db2.gz GETGBSGCDNICLK-GDBMZVCRSA-N 0 3 412.456 1.810 20 0 HDADHN CNC(=O)CC1CCN(C(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)CC1 ZINC000673694833 1073637523 /nfs/dbraw/zinc/63/75/23/1073637523.db2.gz JSDUSVKGICPCBU-UHFFFAOYSA-N 0 3 410.522 1.552 20 0 HDADHN CCN(CC)CCO[C@H]1CCN(C(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000673729484 1073662141 /nfs/dbraw/zinc/66/21/41/1073662141.db2.gz LKUQQTVOCMYPPB-WBVHZDCISA-N 0 3 400.516 1.947 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000673757542 1073691905 /nfs/dbraw/zinc/69/19/05/1073691905.db2.gz CEAYZEYIHKHCIK-KRWDZBQOSA-N 0 3 417.531 1.836 20 0 HDADHN CC(C)c1nc(S(=O)(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)c[nH]1 ZINC000673821695 1073765311 /nfs/dbraw/zinc/76/53/11/1073765311.db2.gz PBQUHYPNEHLCGA-UHFFFAOYSA-N 0 3 405.568 1.971 20 0 HDADHN CCN1CCN(Cc2ccc(CNC(=O)[C@H]3CCCN3c3ncccn3)cc2)CC1 ZINC000673815950 1073771715 /nfs/dbraw/zinc/77/17/15/1073771715.db2.gz GRJFSYYHUQINPX-OAQYLSRUSA-N 0 3 408.550 1.899 20 0 HDADHN CCOc1cc(CN[C@@H](CC(N)=O)C2CCOCC2)nc2nc(C(F)(F)F)nn21 ZINC000543492731 1073822042 /nfs/dbraw/zinc/82/20/42/1073822042.db2.gz AXXSVBHNUFRCOH-LBPRGKRZSA-N 0 3 416.404 1.302 20 0 HDADHN CC(C)OCCN1CCC(NC(=O)N2CCN(C(=O)N3CCCCC3)CC2)CC1 ZINC000673881818 1073853906 /nfs/dbraw/zinc/85/39/06/1073853906.db2.gz CIZRNDKCEMAWNS-UHFFFAOYSA-N 0 3 409.575 1.809 20 0 HDADHN CCn1cnnc1-c1ccccc1NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000543523476 1073981897 /nfs/dbraw/zinc/98/18/97/1073981897.db2.gz WCQDFXVZLRZJKU-MRXNPFEDSA-N 0 3 414.510 1.473 20 0 HDADHN C[C@@H]1CN(C[C@H](O)CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000484452966 1074011453 /nfs/dbraw/zinc/01/14/53/1074011453.db2.gz NXQUIFGALMYAOP-LVCYWYKZSA-N 0 3 407.530 1.373 20 0 HDADHN Cc1cc(C(=O)NCc2ccccc2CN2CCC(O)CC2)ccc1S(N)(=O)=O ZINC000674097584 1074181772 /nfs/dbraw/zinc/18/17/72/1074181772.db2.gz JYMLKMGZYGQAIU-UHFFFAOYSA-N 0 3 417.531 1.529 20 0 HDADHN COC1CCN(CCNC(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)CC1 ZINC000674317044 1074265517 /nfs/dbraw/zinc/26/55/17/1074265517.db2.gz PGLKQCCZUZAFLN-UHFFFAOYSA-N 0 3 421.523 1.508 20 0 HDADHN COC1CCN(CCNC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2C)CC1 ZINC000674316570 1074265979 /nfs/dbraw/zinc/26/59/79/1074265979.db2.gz KMPKSUOWCKZINK-UHFFFAOYSA-N 0 3 410.540 1.668 20 0 HDADHN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCCN1CCC(OC)CC1 ZINC000674310990 1074268476 /nfs/dbraw/zinc/26/84/76/1074268476.db2.gz QZAZNRBUHQJORB-LJQANCHMSA-N 0 3 403.523 1.917 20 0 HDADHN COC1CCN(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000674324208 1074272700 /nfs/dbraw/zinc/27/27/00/1074272700.db2.gz BHFMPNGEYRKVQJ-UHFFFAOYSA-N 0 3 423.579 1.623 20 0 HDADHN COC1CCN(CCNC(=O)CCNS(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000674323638 1074273422 /nfs/dbraw/zinc/27/34/22/1074273422.db2.gz HVXITUNEGSEUTI-UHFFFAOYSA-N 0 3 411.568 1.507 20 0 HDADHN COC1CCN(CCNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CC1 ZINC000674325502 1074275894 /nfs/dbraw/zinc/27/58/94/1074275894.db2.gz UNNTZEYTIAMYDD-UHFFFAOYSA-N 0 3 403.504 1.576 20 0 HDADHN COC1CCN(CCNC(=O)CC[C@H]2NC(=O)N(c3cccc(C)c3)C2=O)CC1 ZINC000674325400 1074276380 /nfs/dbraw/zinc/27/63/80/1074276380.db2.gz PGETZRAQCAPXRU-GOSISDBHSA-N 0 3 402.495 1.427 20 0 HDADHN COC1CCN(CCNC(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000674327560 1074277397 /nfs/dbraw/zinc/27/73/97/1074277397.db2.gz VXYAMFOSEABVJH-UHFFFAOYSA-N 0 3 409.531 1.041 20 0 HDADHN COC1CCN(CCNC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000674329958 1074278973 /nfs/dbraw/zinc/27/89/73/1074278973.db2.gz WIKSZDNUKAMPNR-KRWDZBQOSA-N 0 3 404.511 1.076 20 0 HDADHN CC(C)(C(N)=O)N1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000674329680 1074279088 /nfs/dbraw/zinc/27/90/88/1074279088.db2.gz KABOAGOYCWEPDP-LJQANCHMSA-N 0 3 401.555 1.805 20 0 HDADHN C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)c(C)o1 ZINC000674356851 1074290753 /nfs/dbraw/zinc/29/07/53/1074290753.db2.gz FJXIDHOWUICHJQ-UHFFFAOYSA-N 0 3 408.480 1.040 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCCCN2CCc3ccccc3C2)C1=O ZINC000674425288 1074327214 /nfs/dbraw/zinc/32/72/14/1074327214.db2.gz YVQMHOCGJAIHTD-AVRDEDQJSA-N 0 3 413.522 1.455 20 0 HDADHN CN(CCN1CCCS1(=O)=O)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000674425106 1074327486 /nfs/dbraw/zinc/32/74/86/1074327486.db2.gz XVCGGXGNTCPCKK-UHFFFAOYSA-N 0 3 408.568 1.500 20 0 HDADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)C1 ZINC000674455108 1074357761 /nfs/dbraw/zinc/35/77/61/1074357761.db2.gz WJKKQUIQTRHARN-VIRVFLBCSA-N 0 3 413.522 1.842 20 0 HDADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)C1 ZINC000674455107 1074357925 /nfs/dbraw/zinc/35/79/25/1074357925.db2.gz WJKKQUIQTRHARN-OBUYZQBDSA-N 0 3 413.522 1.842 20 0 HDADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC3(CO)CCCCC3)cc2)CC1 ZINC000674484779 1074389398 /nfs/dbraw/zinc/38/93/98/1074389398.db2.gz MXVHMEFMOQBPDC-UHFFFAOYSA-N 0 3 416.566 1.822 20 0 HDADHN CCN1C(=O)[C@H]2CN(C(=O)[C@@H](C)N3CCC(Cc4ccccc4)CC3)CCN2C1=O ZINC000674543607 1074425411 /nfs/dbraw/zinc/42/54/11/1074425411.db2.gz ARUVBAMFDGYIDA-YLJYHZDGSA-N 0 3 412.534 1.825 20 0 HDADHN CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCCN2CCCC2)cc1 ZINC000674566675 1074444012 /nfs/dbraw/zinc/44/40/12/1074444012.db2.gz BPVRYPMKYDJBFF-IBGZPJMESA-N 0 3 407.536 1.644 20 0 HDADHN CCN1CCN(c2ccc(C(=O)NC[C@@H]3CCC[C@]34NC(=O)N(C)C4=O)cc2)CC1 ZINC000674585107 1074466178 /nfs/dbraw/zinc/46/61/78/1074466178.db2.gz VVAZRFNQTMYOAO-JTSKRJEESA-N 0 3 413.522 1.279 20 0 HDADHN Cc1nn(C)c2ncc(NC(=O)C(=O)N(CCN(C)C)Cc3cccs3)cc12 ZINC000674590351 1074469315 /nfs/dbraw/zinc/46/93/15/1074469315.db2.gz MPBJJBCETYJYFT-UHFFFAOYSA-N 0 3 400.508 1.867 20 0 HDADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000674591687 1074470220 /nfs/dbraw/zinc/47/02/20/1074470220.db2.gz XTORUKGHMTVCAA-UHFFFAOYSA-N 0 3 400.504 1.563 20 0 HDADHN O=C(Nc1ccc(C(=O)NC2CCOCC2)cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000674711347 1074537602 /nfs/dbraw/zinc/53/76/02/1074537602.db2.gz CDNLMLHLANRMEF-IBGZPJMESA-N 0 3 414.506 1.134 20 0 HDADHN CN(C)C(=O)c1cc(NC(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)ccn1 ZINC000674764272 1074558207 /nfs/dbraw/zinc/55/82/07/1074558207.db2.gz UKHTVXWMNDRLDW-SFHVURJKSA-N 0 3 409.490 1.455 20 0 HDADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccccn3)c2)C1 ZINC000674763775 1074559179 /nfs/dbraw/zinc/55/91/79/1074559179.db2.gz IPLYYTFYDBMISU-IBGZPJMESA-N 0 3 404.474 1.939 20 0 HDADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000674790398 1074567799 /nfs/dbraw/zinc/56/77/99/1074567799.db2.gz GHOYYCLHNRVMIF-VQIMIIECSA-N 0 3 419.551 1.430 20 0 HDADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCO[C@H]([C@H]3CCCO3)C2)CC1 ZINC000674914097 1074613110 /nfs/dbraw/zinc/61/31/10/1074613110.db2.gz XUWAZRMFWJGJLW-YADHBBJMSA-N 0 3 401.551 1.909 20 0 HDADHN COc1cnccc1N1CCN(C(=O)C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000670487856 1074637742 /nfs/dbraw/zinc/63/77/42/1074637742.db2.gz LKBOPMKCFNABNL-UHFFFAOYSA-N 0 3 407.474 1.579 20 0 HDADHN O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)Nc1ccn(CC(F)F)n1 ZINC000444571597 1074712540 /nfs/dbraw/zinc/71/25/40/1074712540.db2.gz PNWGLNGRUAPDFP-UHFFFAOYSA-N 0 3 415.510 1.955 20 0 HDADHN COCc1nc2n(n1)C[C@H](NC(=O)N1CCCN(Cc3ccccc3C)CC1)CC2 ZINC000675118038 1074726727 /nfs/dbraw/zinc/72/67/27/1074726727.db2.gz CFVUOXZJLBMWLP-LJQANCHMSA-N 0 3 412.538 1.965 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccc(N3CCCCC3)nc2)CC1 ZINC000509311158 1074731774 /nfs/dbraw/zinc/73/17/74/1074731774.db2.gz QUWPVGFCZGHXEC-UHFFFAOYSA-N 0 3 416.570 1.768 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CC[C@@H](CO)CC3)c(C)c2)CC1 ZINC000675127593 1074733387 /nfs/dbraw/zinc/73/33/87/1074733387.db2.gz ZBENJTWUKLBXJK-HDICACEKSA-N 0 3 402.539 1.743 20 0 HDADHN CS[C@H](CO)[C@H](C)N[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766100333 1074770048 /nfs/dbraw/zinc/77/00/48/1074770048.db2.gz ZXOGILWLEFEQLQ-TYNCELHUSA-N 0 3 410.583 1.175 20 0 HDADHN CS[C@H](CO)[C@@H](C)N[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766100330 1074770130 /nfs/dbraw/zinc/77/01/30/1074770130.db2.gz ZXOGILWLEFEQLQ-LALPHHSUSA-N 0 3 410.583 1.175 20 0 HDADHN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000675304969 1074792943 /nfs/dbraw/zinc/79/29/43/1074792943.db2.gz VVFYOUOIUOROEH-DOTOQJQBSA-N 0 3 404.898 1.162 20 0 HDADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675318208 1074797728 /nfs/dbraw/zinc/79/77/28/1074797728.db2.gz UNOBYBBWBDMZJR-NVXWUHKLSA-N 0 3 406.914 1.552 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000509328650 1075113019 /nfs/dbraw/zinc/11/30/19/1075113019.db2.gz STHUGOSQZWJRHH-HDICACEKSA-N 0 3 411.591 1.070 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000509332519 1075128252 /nfs/dbraw/zinc/12/82/52/1075128252.db2.gz UKLDNNLXSVXGLL-UHFFFAOYSA-N 0 3 403.527 1.084 20 0 HDADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000675413094 1075137076 /nfs/dbraw/zinc/13/70/76/1075137076.db2.gz KJVFHTFIGIFOTE-MRXNPFEDSA-N 0 3 410.877 1.255 20 0 HDADHN COCCCn1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)n1 ZINC000443838646 1075147967 /nfs/dbraw/zinc/14/79/67/1075147967.db2.gz UOFNLAYNHMQQLR-LPHOPBHVSA-N 0 3 401.511 1.974 20 0 HDADHN Cc1ccc([C@@H](O)CN[C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)o1 ZINC000766140867 1075159909 /nfs/dbraw/zinc/15/99/09/1075159909.db2.gz LNZJKQLLHJAIIO-BBRMVZONSA-N 0 3 416.521 1.698 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000766143507 1075169574 /nfs/dbraw/zinc/16/95/74/1075169574.db2.gz FIHNYHQQQDUBOE-MRXNPFEDSA-N 0 3 401.479 1.421 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000766143505 1075169626 /nfs/dbraw/zinc/16/96/26/1075169626.db2.gz FIHNYHQQQDUBOE-INIZCTEOSA-N 0 3 401.479 1.421 20 0 HDADHN COCCS(=O)(=O)c1ccc(CNC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000429351371 1075170031 /nfs/dbraw/zinc/17/00/31/1075170031.db2.gz SMYWJEDRUMAWQO-UHFFFAOYSA-N 0 3 424.563 1.758 20 0 HDADHN CC1CCC2(CC1)NC(=O)N(CC(=O)N1C[C@@H](CN(C)C)Oc3ccccc31)C2=O ZINC000675491991 1075175978 /nfs/dbraw/zinc/17/59/78/1075175978.db2.gz PLYPECLLUALYNW-JXORXQGFSA-N 0 3 414.506 1.843 20 0 HDADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000675511408 1075189395 /nfs/dbraw/zinc/18/93/95/1075189395.db2.gz HALJBNXEGMLPSB-ZIAGYGMSSA-N 0 3 409.533 1.771 20 0 HDADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000675536942 1075194141 /nfs/dbraw/zinc/19/41/41/1075194141.db2.gz QICWYCWCIKMYQB-HNNXBMFYSA-N 0 3 413.565 1.516 20 0 HDADHN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC1CCN([C@@H]3CCOC3)CC1)C2=O ZINC000675537181 1075194316 /nfs/dbraw/zinc/19/43/16/1075194316.db2.gz YKQSRFFOBIMIEZ-JLDZCNIISA-N 0 3 420.554 1.493 20 0 HDADHN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000675538019 1075194894 /nfs/dbraw/zinc/19/48/94/1075194894.db2.gz PKDNUWXVYMHYEE-QGZVFWFLSA-N 0 3 409.552 1.747 20 0 HDADHN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000675538092 1075195248 /nfs/dbraw/zinc/19/52/48/1075195248.db2.gz COFNPQWLIYVSFZ-GOSISDBHSA-N 0 3 409.552 1.699 20 0 HDADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)Nc1cnn(CC2CC2)c1 ZINC000675585814 1075215710 /nfs/dbraw/zinc/21/57/10/1075215710.db2.gz DLGYJNBPCPTMAS-UHFFFAOYSA-N 0 3 424.549 1.556 20 0 HDADHN CCN1CCN(Cc2ccccc2CNc2ccc(S(=O)(=O)NC)cn2)CC1 ZINC000486972748 1075233308 /nfs/dbraw/zinc/23/33/08/1075233308.db2.gz WECUYYYNFJMSFK-UHFFFAOYSA-N 0 3 403.552 1.739 20 0 HDADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccn(Cc2ccc(OC)cc2)n1 ZINC000441991700 1075237681 /nfs/dbraw/zinc/23/76/81/1075237681.db2.gz ZUQCQIKSYQLLNY-MSOLQXFVSA-N 0 3 411.506 1.964 20 0 HDADHN CS(=O)(=O)N1CCC(NCc2ccccc2S(=O)(=O)N2CCCCC2)CC1 ZINC000675740013 1075261984 /nfs/dbraw/zinc/26/19/84/1075261984.db2.gz CVTBXDHVRFSZOE-UHFFFAOYSA-N 0 3 415.581 1.375 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2cc(-c3ccccc3)no2)CC1 ZINC000675759809 1075266089 /nfs/dbraw/zinc/26/60/89/1075266089.db2.gz JGRXYDWDYXWSBQ-LJQANCHMSA-N 0 3 418.519 1.410 20 0 HDADHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1CC(=O)N1CCNC(=O)C1 ZINC000429379756 1075270658 /nfs/dbraw/zinc/27/06/58/1075270658.db2.gz AROIDOJNGHQOEB-NRFANRHFSA-N 0 3 400.567 1.610 20 0 HDADHN C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCC(=O)N1CCN(C)CC1 ZINC000675782721 1075270930 /nfs/dbraw/zinc/27/09/30/1075270930.db2.gz XLFIZOZPOTZIHB-CYBMUJFWSA-N 0 3 402.417 1.666 20 0 HDADHN Cc1ccc(CN(CCN(C)C)C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)o1 ZINC000497882655 1075276439 /nfs/dbraw/zinc/27/64/39/1075276439.db2.gz VQTVJUTZOWVMDK-UHFFFAOYSA-N 0 3 414.466 1.874 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2cn3cc(Br)ccc3n2)CC1 ZINC000675900022 1075288464 /nfs/dbraw/zinc/28/84/64/1075288464.db2.gz UAKKYSFUBBLELR-MRXNPFEDSA-N 0 3 406.328 1.835 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000675917143 1075291449 /nfs/dbraw/zinc/29/14/49/1075291449.db2.gz XASAFKWYUVUYPN-LJQANCHMSA-N 0 3 404.486 1.041 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000509375870 1075308707 /nfs/dbraw/zinc/30/87/07/1075308707.db2.gz XUDJJOYCEKNGMN-QGZVFWFLSA-N 0 3 413.526 1.524 20 0 HDADHN COc1cccc2c1OCC[C@H]2NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000675975999 1075317928 /nfs/dbraw/zinc/31/79/28/1075317928.db2.gz CNSBWOQMTUMQAL-IAGOWNOFSA-N 0 3 402.495 1.467 20 0 HDADHN COCCc1cc(NC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)n(C)n1 ZINC000676064962 1075341400 /nfs/dbraw/zinc/34/14/00/1075341400.db2.gz PQSWZFOVYQXARV-UHFFFAOYSA-N 0 3 409.494 1.738 20 0 HDADHN Cc1c(C(=O)N2CCOC3(CCOCC3)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000676071937 1075342535 /nfs/dbraw/zinc/34/25/35/1075342535.db2.gz PQVVXWYKUCHFKH-UHFFFAOYSA-N 0 3 411.506 1.585 20 0 HDADHN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)[C@H](C(=O)OC)C1 ZINC000509380911 1075357491 /nfs/dbraw/zinc/35/74/91/1075357491.db2.gz RLMZGTOWXFOSLW-LMMKCTJWSA-N 0 3 420.481 1.991 20 0 HDADHN CN(C)[C@H]1Cc2ccccc2N(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)C1 ZINC000731467320 1075357714 /nfs/dbraw/zinc/35/77/14/1075357714.db2.gz YZBDAGZGAJXUMT-KRWDZBQOSA-N 0 3 406.494 1.255 20 0 HDADHN CC(=O)[C@H]1CC(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)=NN1c1ccccc1 ZINC000731480109 1075371013 /nfs/dbraw/zinc/37/10/13/1075371013.db2.gz ANCJJEHXXHVOEQ-HXUWFJFHSA-N 0 3 413.522 1.269 20 0 HDADHN COc1cccc([C@@H](CNC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)N(C)C)c1 ZINC000676090567 1075374487 /nfs/dbraw/zinc/37/44/87/1075374487.db2.gz ZIJZINVLLXKYMC-LJQANCHMSA-N 0 3 408.462 1.634 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000509384854 1075375097 /nfs/dbraw/zinc/37/50/97/1075375097.db2.gz HTRLYKQFBKZXBC-SFHVURJKSA-N 0 3 405.543 1.612 20 0 HDADHN C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=CCN(C)CC1 ZINC000804093109 1075393869 /nfs/dbraw/zinc/39/38/69/1075393869.db2.gz XFCWSSIDKVPZRO-USXIJHARSA-N 0 3 408.543 1.705 20 0 HDADHN COc1ccc(Cn2ccc(NC(=O)NCCCCN3CCN(C)CC3)n2)cc1 ZINC000548653250 1075410229 /nfs/dbraw/zinc/41/02/29/1075410229.db2.gz YDROSGYFPGINQJ-UHFFFAOYSA-N 0 3 400.527 2.089 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000676242749 1075444987 /nfs/dbraw/zinc/44/49/87/1075444987.db2.gz AOQNBYVBRZWAHL-NQIIRXRSSA-N 0 3 403.571 1.342 20 0 HDADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CCC(n2cc(Br)cn2)CC1 ZINC000731684191 1075467530 /nfs/dbraw/zinc/46/75/30/1075467530.db2.gz RGPAVGQMHSRPLJ-CVEARBPZSA-N 0 3 412.332 1.855 20 0 HDADHN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N[C@H](CC(N)=O)C1CCOCC1 ZINC000544460196 1075487333 /nfs/dbraw/zinc/48/73/33/1075487333.db2.gz BGHWIXJYHTXLCA-SWLSCSKDSA-N 0 3 411.524 1.820 20 0 HDADHN c1ccc(N2CCN(C[C@@H]3CCCN(c4nccc(N5CCOCC5)n4)C3)CC2)nc1 ZINC000676309128 1075493634 /nfs/dbraw/zinc/49/36/34/1075493634.db2.gz DHKBCZUGXKXKQG-FQEVSTJZSA-N 0 3 423.565 1.747 20 0 HDADHN Cc1ccc([C@@H](CNC(=O)N2CCN(CC(=O)N(C)C)CC2)N2CCCC2)cc1 ZINC000676291805 1075496006 /nfs/dbraw/zinc/49/60/06/1075496006.db2.gz HVHAAEDJCZMWNJ-HXUWFJFHSA-N 0 3 401.555 1.547 20 0 HDADHN CCOC(=O)c1ccc(OC)c(S(=O)(=O)NCC2(N(C)C)CCOCC2)c1 ZINC000509401881 1075505249 /nfs/dbraw/zinc/50/52/49/1075505249.db2.gz KQEXICUECQWUHT-UHFFFAOYSA-N 0 3 400.497 1.261 20 0 HDADHN Cc1n[nH]cc1-c1nnc(NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)s1 ZINC000445004215 1075505265 /nfs/dbraw/zinc/50/52/65/1075505265.db2.gz FQUQGOOEIMGHRE-LJQANCHMSA-N 0 3 413.507 1.995 20 0 HDADHN CN(C)CCN(CCc1ccccc1)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000731761566 1075514970 /nfs/dbraw/zinc/51/49/70/1075514970.db2.gz RKTVYDMDWXFMEC-UHFFFAOYSA-N 0 3 424.611 1.311 20 0 HDADHN CO[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000946905662 1075515076 /nfs/dbraw/zinc/51/50/76/1075515076.db2.gz SANTYHLYKKZRGB-LTFPLMDUSA-N 0 3 401.507 1.271 20 0 HDADHN Cc1ccc(S(=O)(=O)NCCCC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1C ZINC000676343761 1075517069 /nfs/dbraw/zinc/51/70/69/1075517069.db2.gz XTBDJNOUBXHIGV-IBGZPJMESA-N 0 3 423.579 1.731 20 0 HDADHN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NC1CCN([C@H]2CCOC2)CC1 ZINC000676343673 1075517124 /nfs/dbraw/zinc/51/71/24/1075517124.db2.gz VDQKPYPGPZHXJY-INIZCTEOSA-N 0 3 415.943 1.378 20 0 HDADHN CC(C)c1ccc(S(=O)(=O)NCCC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000676343361 1075517491 /nfs/dbraw/zinc/51/74/91/1075517491.db2.gz QJFXFDZAYJRYCS-IBGZPJMESA-N 0 3 423.579 1.848 20 0 HDADHN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676345108 1075517911 /nfs/dbraw/zinc/51/79/11/1075517911.db2.gz WJADZYXAGGCXNR-WIYYLYMNSA-N 0 3 416.497 1.724 20 0 HDADHN O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000676345178 1075517973 /nfs/dbraw/zinc/51/79/73/1075517973.db2.gz LRHFYXUSZALGSM-NQIIRXRSSA-N 0 3 417.525 1.976 20 0 HDADHN O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NC1CCN([C@H]2CCOC2)CC1 ZINC000676344757 1075518179 /nfs/dbraw/zinc/51/81/79/1075518179.db2.gz HXSNXFIKPVBWOK-KRWDZBQOSA-N 0 3 413.515 1.254 20 0 HDADHN COc1ccc([C@@H]2[C@@H](C(=O)NC3CCN([C@H]4CCOC4)CC3)CCC(=O)N2C)cc1 ZINC000676345881 1075519127 /nfs/dbraw/zinc/51/91/27/1075519127.db2.gz WESJRVXOHPCERK-RCZSKKKRSA-N 0 3 415.534 1.974 20 0 HDADHN Cc1nc(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)nn1C ZINC000551246902 1075522355 /nfs/dbraw/zinc/52/23/55/1075522355.db2.gz DYRJYVHLAALGRG-VQTJNVASSA-N 0 3 418.501 1.846 20 0 HDADHN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CNC2(CO)CCOCC2)cc1 ZINC000731846756 1075530644 /nfs/dbraw/zinc/53/06/44/1075530644.db2.gz NRPAUSFUMQEKLE-UHFFFAOYSA-N 0 3 411.502 1.995 20 0 HDADHN COc1ccc(N2C[C@@H](C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC2=O)c(OC)c1 ZINC000676394021 1075541422 /nfs/dbraw/zinc/54/14/22/1075541422.db2.gz WKHDHWZAEFQACR-DOTOQJQBSA-N 0 3 417.506 1.426 20 0 HDADHN Cc1c(C(=O)Nc2cc(-c3nccn3C)n[nH]2)nnn1-c1cccc2c1CCN(C)C2 ZINC000676454450 1075559465 /nfs/dbraw/zinc/55/94/65/1075559465.db2.gz LAQBZNROTKGRMS-UHFFFAOYSA-N 0 3 417.477 1.940 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000731900273 1075562576 /nfs/dbraw/zinc/56/25/76/1075562576.db2.gz MQOMBSHZXFZQGW-HNNXBMFYSA-N 0 3 409.918 1.509 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000731899990 1075562862 /nfs/dbraw/zinc/56/28/62/1075562862.db2.gz ZXSZRQWPOGYNDG-OAHLLOKOSA-N 0 3 400.501 1.101 20 0 HDADHN CCn1nc(NC(=O)C(=O)N(C)C2CCN(CCc3ccccn3)CC2)cc1C1CC1 ZINC000438877855 1075567266 /nfs/dbraw/zinc/56/72/66/1075567266.db2.gz VXUZZYLSSXRIJC-UHFFFAOYSA-N 0 3 424.549 2.279 20 0 HDADHN CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)CCO2 ZINC000676505161 1075571327 /nfs/dbraw/zinc/57/13/27/1075571327.db2.gz OQPNAJWXHOWHPQ-IBGZPJMESA-N 0 3 418.538 1.121 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H](c2ccccc2OC)N(C)C)CC1 ZINC000509417702 1075574488 /nfs/dbraw/zinc/57/44/88/1075574488.db2.gz QGLYZHMFLDTXAW-IBGZPJMESA-N 0 3 419.570 1.494 20 0 HDADHN CNC(=O)c1cncc(/C=C\C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)c1 ZINC000731981249 1075582923 /nfs/dbraw/zinc/58/29/23/1075582923.db2.gz NCLJUGCUIKJBOC-DAXSKMNVSA-N 0 3 409.446 1.563 20 0 HDADHN CN(C(=O)C(=O)Nc1ccn(-c2ccncc2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000446872210 1075585571 /nfs/dbraw/zinc/58/55/71/1075585571.db2.gz KGQFYASWDUWNLN-LJQANCHMSA-N 0 3 404.474 1.939 20 0 HDADHN CN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCN(C2CC2)C1 ZINC000732035306 1075592203 /nfs/dbraw/zinc/59/22/03/1075592203.db2.gz LSCKMKAQFQHVJL-INIZCTEOSA-N 0 3 411.499 1.155 20 0 HDADHN CN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@H]1CCN(C2CC2)C1 ZINC000732036918 1075592509 /nfs/dbraw/zinc/59/25/09/1075592509.db2.gz ZBNCZZSCCOVGQC-KRWDZBQOSA-N 0 3 416.547 1.543 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)N(C)Cc1ccccc1 ZINC000676549632 1075597600 /nfs/dbraw/zinc/59/76/00/1075597600.db2.gz FMBWMEQSXADWFH-KRWDZBQOSA-N 0 3 406.490 1.902 20 0 HDADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCCCN2CCCC2)c1 ZINC000509424018 1075602888 /nfs/dbraw/zinc/60/28/88/1075602888.db2.gz HGPSSJKFUSSEJB-UHFFFAOYSA-N 0 3 403.570 1.481 20 0 HDADHN CN(C)S(=O)(=O)c1ccc(OCCN2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000429722128 1075614550 /nfs/dbraw/zinc/61/45/50/1075614550.db2.gz KQMHPUBGPCHMFN-OAHLLOKOSA-N 0 3 405.524 1.568 20 0 HDADHN CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000732113153 1075635554 /nfs/dbraw/zinc/63/55/54/1075635554.db2.gz MPAUIWLALRWVBO-GOSISDBHSA-N 0 3 404.536 1.050 20 0 HDADHN CCN1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000732139952 1075647201 /nfs/dbraw/zinc/64/72/01/1075647201.db2.gz VTSPWHUIDPNTEP-HNNXBMFYSA-N 0 3 413.515 1.451 20 0 HDADHN CN(C)C[C@H]1CN(S(=O)(=O)c2cnn(C3CCOCC3)c2)c2ccccc2O1 ZINC000676731390 1075663825 /nfs/dbraw/zinc/66/38/25/1075663825.db2.gz XQQKJPTUWDJWIB-INIZCTEOSA-N 0 3 406.508 1.753 20 0 HDADHN O=C(NCCCCN1C(=O)c2ccccc2C1=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000732246352 1075679388 /nfs/dbraw/zinc/67/93/88/1075679388.db2.gz RDTOAUQJBJWXQA-CVEARBPZSA-N 0 3 400.479 1.225 20 0 HDADHN COC(=O)c1csc(S(=O)(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000543685173 1075693024 /nfs/dbraw/zinc/69/30/24/1075693024.db2.gz FLMBTXJHLDLDFG-UHFFFAOYSA-N 0 3 415.581 1.573 20 0 HDADHN CCO[C@H]1C[C@@H](NC(=O)NCCCCN2CCN(CCO)CC2)C12CCCCC2 ZINC000429464432 1075693079 /nfs/dbraw/zinc/69/30/79/1075693079.db2.gz VXUYCXIUPGQNCP-UXHICEINSA-N 0 3 410.603 1.804 20 0 HDADHN CN(C)S(=O)(=O)c1ccsc1C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000732307993 1075695364 /nfs/dbraw/zinc/69/53/64/1075695364.db2.gz PQGOHTSDQAHAMD-CQSZACIVSA-N 0 3 401.554 1.372 20 0 HDADHN C[C@@H]1CN(CCCNc2cc(NCCCN3C[C@H](C)O[C@@H](C)C3)ncn2)C[C@@H](C)O1 ZINC000439831674 1075701812 /nfs/dbraw/zinc/70/18/12/1075701812.db2.gz VYDZEKQQQFVCBF-XLLXOSNRSA-N 0 3 420.602 2.299 20 0 HDADHN COc1cc2nc(NC[C@H]3C[C@@H](O)CN3Cc3ccccc3)nc(N)c2cc1OC ZINC000536304780 1075702603 /nfs/dbraw/zinc/70/26/03/1075702603.db2.gz HZQYFXGGONJOBJ-HZPDHXFCSA-N 0 3 409.490 1.698 20 0 HDADHN COc1cc2nc(NCc3cccnc3N3CCN(C)CC3)nc(N)c2cc1OC ZINC000599573156 1075703043 /nfs/dbraw/zinc/70/30/43/1075703043.db2.gz GUOVQXWPUGIBFF-UHFFFAOYSA-N 0 3 409.494 1.410 20 0 HDADHN Cc1ccc(Nc2nc(N)nc(CN3CCN(C(=O)CN4CCCC4)CC3)n2)cc1 ZINC000489173876 1075703732 /nfs/dbraw/zinc/70/37/32/1075703732.db2.gz WDAFLIHDALWNCG-UHFFFAOYSA-N 0 3 410.526 1.246 20 0 HDADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)cc1 ZINC000509254883 1075712726 /nfs/dbraw/zinc/71/27/26/1075712726.db2.gz LUKQHJOEXRJAPM-ROUUACIJSA-N 0 3 409.531 1.373 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000462801164 1075714464 /nfs/dbraw/zinc/71/44/64/1075714464.db2.gz HSQUUYKJIJHMMO-KRWDZBQOSA-N 0 3 409.494 1.876 20 0 HDADHN CC(C)N(CCN(C)C)C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509258459 1075739021 /nfs/dbraw/zinc/73/90/21/1075739021.db2.gz ZPEZCTDISZHSCZ-OAHLLOKOSA-N 0 3 402.586 1.740 20 0 HDADHN C[C@@]1(CNC(=O)C(=O)Nc2ccn(CC(F)F)n2)CCCN1Cc1ccccc1 ZINC000427488588 1075740076 /nfs/dbraw/zinc/74/00/76/1075740076.db2.gz WXOJNAJGLIQQSM-FQEVSTJZSA-N 0 3 405.449 2.258 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccccc2Cn2cccn2)CC1 ZINC000509263346 1075754339 /nfs/dbraw/zinc/75/43/39/1075754339.db2.gz LCYNVKFHCVWAJI-UHFFFAOYSA-N 0 3 412.538 1.627 20 0 HDADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000732467840 1075755269 /nfs/dbraw/zinc/75/52/69/1075755269.db2.gz YUURVYZRHDDLRP-PWRODBHTSA-N 0 3 402.539 1.092 20 0 HDADHN NC(=O)c1ccc(NC(=O)CCN2CCC[C@@H](c3ccnc(N)n3)C2)cc1Cl ZINC000556964497 1075757673 /nfs/dbraw/zinc/75/76/73/1075757673.db2.gz GWWOQIVTDVLIOB-GFCCVEGCSA-N 0 3 402.886 2.019 20 0 HDADHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000509264344 1075760998 /nfs/dbraw/zinc/76/09/98/1075760998.db2.gz PIMLMRIADZAFNC-OAHLLOKOSA-N 0 3 405.586 1.726 20 0 HDADHN C[C@H](NC(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1)C1=CCN(C)CC1 ZINC000551223031 1075762695 /nfs/dbraw/zinc/76/26/95/1075762695.db2.gz WYYJCIDOBKRVBG-ZDUSSCGKSA-N 0 3 413.444 1.785 20 0 HDADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCCC[C@H]1CN1CCCC1=O ZINC000732488312 1075775541 /nfs/dbraw/zinc/77/55/41/1075775541.db2.gz RWJTTZFMAGSQCM-KRWDZBQOSA-N 0 3 416.522 1.699 20 0 HDADHN CC(C)(C)n1cnc(NC(=O)C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)n1 ZINC000472925035 1075788230 /nfs/dbraw/zinc/78/82/30/1075788230.db2.gz IMONZJXVFULGOA-UHFFFAOYSA-N 0 3 416.448 1.893 20 0 HDADHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC000429102924 1075790756 /nfs/dbraw/zinc/79/07/56/1075790756.db2.gz MFPRWYZNDCJQSX-GDBMZVCRSA-N 0 3 422.489 2.334 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CC1 ZINC000732658869 1075819058 /nfs/dbraw/zinc/81/90/58/1075819058.db2.gz CYFGFPMCVRMKIY-ZWKOTPCHSA-N 0 3 406.433 1.399 20 0 HDADHN COCc1c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cnn1-c1ccccc1 ZINC000466653943 1075827237 /nfs/dbraw/zinc/82/72/37/1075827237.db2.gz KFQZPUWZIWPZPQ-IBGZPJMESA-N 0 3 411.506 1.397 20 0 HDADHN CC(C)Cc1ncnc(NCCCN2CCN(C)CC2)c1I ZINC000572550142 1075837051 /nfs/dbraw/zinc/83/70/51/1075837051.db2.gz XDRQGSQYLXPPID-UHFFFAOYSA-N 0 3 417.339 2.329 20 0 HDADHN CC(C)Oc1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)nn1 ZINC000572065876 1075857279 /nfs/dbraw/zinc/85/72/79/1075857279.db2.gz ZHGQOSQUZZEKIH-UHFFFAOYSA-N 0 3 421.448 2.071 20 0 HDADHN C[NH+](C)CCN1C[C@@H](C(=O)Nc2cc(I)ccc2[O-])CC1=O ZINC000611156453 1075860261 /nfs/dbraw/zinc/86/02/61/1075860261.db2.gz HPRCDLCKZXZJAH-JTQLQIEISA-N 0 3 417.247 1.345 20 0 HDADHN COCC1CCN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)CC1 ZINC000732797090 1075860494 /nfs/dbraw/zinc/86/04/94/1075860494.db2.gz DPZKSVYMWUFCIW-JOCHJYFZSA-N 0 3 400.523 1.889 20 0 HDADHN COC(=O)c1ccc(OC[C@@H](O)CN[C@]2(CO)CCc3ccccc32)c(OC)c1 ZINC000611225183 1075880364 /nfs/dbraw/zinc/88/03/64/1075880364.db2.gz UDARVIWJNJYTLB-JTSKRJEESA-N 0 3 401.459 1.645 20 0 HDADHN CN(CCNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)Cc1ccccc1 ZINC000732996625 1075943325 /nfs/dbraw/zinc/94/33/25/1075943325.db2.gz NUCHVSNXEWJFKA-UHFFFAOYSA-N 0 3 418.510 1.682 20 0 HDADHN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)ccc1N1C(=O)CCC1=O ZINC000733046334 1075952740 /nfs/dbraw/zinc/95/27/40/1075952740.db2.gz OZIPSQGBNRDBHN-JKSUJKDBSA-N 0 3 414.506 1.966 20 0 HDADHN Cc1cc(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)ccc1N1C(=O)CCC1=O ZINC000733047884 1075953444 /nfs/dbraw/zinc/95/34/44/1075953444.db2.gz MHPQUPJIQLYUAM-UHFFFAOYSA-N 0 3 414.506 1.920 20 0 HDADHN Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)ccc1N1C(=O)CCC1=O ZINC000733047558 1075953877 /nfs/dbraw/zinc/95/38/77/1075953877.db2.gz JAIFPXPPSOLEQL-KRWDZBQOSA-N 0 3 412.490 1.674 20 0 HDADHN COc1ccc([C@H](CNC(=O)Cc2c(C)nc3nc(N)nn3c2C)N2CCCC2)cc1 ZINC000017911773 1075955512 /nfs/dbraw/zinc/95/55/12/1075955512.db2.gz XJDUDJATFFOUCK-IBGZPJMESA-N 0 3 423.521 1.828 20 0 HDADHN CCN1CCN(CCCNC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000733130541 1075979874 /nfs/dbraw/zinc/97/98/74/1075979874.db2.gz OXRSQZFMPSWECS-RELWKKBWSA-N 0 3 421.545 1.996 20 0 HDADHN CN(CCCN1CCN(C)CC1)C(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC000733155543 1075988759 /nfs/dbraw/zinc/98/87/59/1075988759.db2.gz TUKFYXBJANSKJU-RELWKKBWSA-N 0 3 421.545 1.948 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000733159789 1075992943 /nfs/dbraw/zinc/99/29/43/1075992943.db2.gz WOBKCAUXTSEUOA-CQSZACIVSA-N 0 3 416.975 1.346 20 0 HDADHN CCN1CCN(CCNC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1 ZINC000733161981 1075994641 /nfs/dbraw/zinc/99/46/41/1075994641.db2.gz OHHAHYGYTJAHSY-UHFFFAOYSA-N 0 3 423.521 1.207 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)CC1 ZINC000733161914 1075994682 /nfs/dbraw/zinc/99/46/82/1075994682.db2.gz MUWIAVJCRVSHTF-WLMCBFPDSA-N 0 3 400.527 1.461 20 0 HDADHN Cc1cn(C)c(CC(=O)N2CCN(C(C)C)CC2)c1C(=O)N1CCN(C(C)C)CC1 ZINC000494207576 1075999114 /nfs/dbraw/zinc/99/91/14/1075999114.db2.gz FHKKKJTVWAMKDF-UHFFFAOYSA-N 0 3 417.598 1.595 20 0 HDADHN CCN1CCN(C[C@H](C)CNC(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000733171074 1076001311 /nfs/dbraw/zinc/00/13/11/1076001311.db2.gz VHLMUAMFNUETGT-CQSZACIVSA-N 0 3 408.597 1.685 20 0 HDADHN Cn1cnc2c1c(=O)n(CCCN(Cc1cccs1)C[C@H]1CCCO1)c(=O)n2C ZINC000053135163 1076054753 /nfs/dbraw/zinc/05/47/53/1076054753.db2.gz YIKNIPBGOODVFZ-OAHLLOKOSA-N 0 3 417.535 1.567 20 0 HDADHN COC(=O)CCc1nc(COC(=O)C2CCN(c3ccc(F)c(F)c3)C2=O)no1 ZINC000733463609 1076081723 /nfs/dbraw/zinc/08/17/23/1076081723.db2.gz MVHXUDTVUGHUHP-NSHDSACASA-N 0 3 409.345 1.550 20 0 HDADHN C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CC[C@H](N4CCCC4)C3)cc2)C[C@@H](C)O1 ZINC000727231689 1076085915 /nfs/dbraw/zinc/08/59/15/1076085915.db2.gz SEZXGGMUXJXWAM-HLIPFELVSA-N 0 3 400.523 1.935 20 0 HDADHN COCCOC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000727231466 1076085959 /nfs/dbraw/zinc/08/59/59/1076085959.db2.gz NJOPQFZLOBAADK-QGZVFWFLSA-N 0 3 404.467 1.517 20 0 HDADHN COC(=O)Nc1cc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)ccc1F ZINC000727617033 1076176675 /nfs/dbraw/zinc/17/66/75/1076176675.db2.gz GTGXNMIHDWDNDO-AWEZNQCLSA-N 0 3 410.446 1.512 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1)N1CCCCC1 ZINC000727614932 1076184595 /nfs/dbraw/zinc/18/45/95/1076184595.db2.gz DRSGFMKGMVXDFS-NSHDSACASA-N 0 3 403.451 1.297 20 0 HDADHN CC(C)(C)SCCNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000727621484 1076187962 /nfs/dbraw/zinc/18/79/62/1076187962.db2.gz QCIZKEDUEFSLPH-UHFFFAOYSA-N 0 3 420.579 1.970 20 0 HDADHN COCCN(C(C)=O)c1nc(COC(=O)C2CC[C@H](C(F)(F)F)NC2=O)cs1 ZINC000733821360 1076213888 /nfs/dbraw/zinc/21/38/88/1076213888.db2.gz MIRAATREWRPSBP-VXGBXAGGSA-N 0 3 423.413 1.643 20 0 HDADHN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccc3oc(=O)n(CCN(C)C)c3c1)CO2 ZINC000531922737 1076237728 /nfs/dbraw/zinc/23/77/28/1076237728.db2.gz LXXXBKIBTBDUEO-MRXNPFEDSA-N 0 3 424.457 1.653 20 0 HDADHN CC(C)N1CCCN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 ZINC000727806933 1076259612 /nfs/dbraw/zinc/25/96/12/1076259612.db2.gz LWYYVUUHXHIARJ-SFHVURJKSA-N 0 3 404.511 1.490 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000727853022 1076272430 /nfs/dbraw/zinc/27/24/30/1076272430.db2.gz FCJMUOQRTSWTFW-KGLIPLIRSA-N 0 3 420.432 1.090 20 0 HDADHN C[NH+](C)C1(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CCOCC1 ZINC000733981937 1076282579 /nfs/dbraw/zinc/28/25/79/1076282579.db2.gz YEUOQWRLINLOQJ-UHFFFAOYSA-N 0 3 415.531 1.743 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000728072214 1076333004 /nfs/dbraw/zinc/33/30/04/1076333004.db2.gz ABXBAZWFVZJNHZ-MRXNPFEDSA-N 0 3 419.526 1.973 20 0 HDADHN CC(C)(CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)N1CCCCC1 ZINC000728135976 1076339841 /nfs/dbraw/zinc/33/98/41/1076339841.db2.gz RILDNSCOCTZMCY-UHFFFAOYSA-N 0 3 406.502 1.982 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)N1CCCC[C@H]1C ZINC000728137416 1076340705 /nfs/dbraw/zinc/34/07/05/1076340705.db2.gz XSJJDJFHKSAIPW-HZPDHXFCSA-N 0 3 406.502 1.980 20 0 HDADHN COCCN1CCC[C@H](NC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 ZINC000729982863 1076407432 /nfs/dbraw/zinc/40/74/32/1076407432.db2.gz ILTSQAVNKQXSET-INIZCTEOSA-N 0 3 424.505 1.681 20 0 HDADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000730283315 1076512921 /nfs/dbraw/zinc/51/29/21/1076512921.db2.gz WEAXMAKDHLMOSO-GOSISDBHSA-N 0 3 416.522 1.251 20 0 HDADHN CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000730682143 1076632731 /nfs/dbraw/zinc/63/27/31/1076632731.db2.gz PFAGSBQJWILVMV-UHFFFAOYSA-N 0 3 411.462 1.567 20 0 HDADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC001545677827 1076634574 /nfs/dbraw/zinc/63/45/74/1076634574.db2.gz HOPJLFDRPVYXRC-LJQANCHMSA-N 0 3 420.554 1.834 20 0 HDADHN O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000730920063 1076693340 /nfs/dbraw/zinc/69/33/40/1076693340.db2.gz MIFUJYWHZKHFPT-FQEVSTJZSA-N 0 3 408.502 1.922 20 0 HDADHN COC(=O)N[C@H](C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)C(C)C ZINC000730967422 1076703649 /nfs/dbraw/zinc/70/36/49/1076703649.db2.gz YQJGFMCKLSEZLU-ICSRJNTNSA-N 0 3 417.554 1.823 20 0 HDADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)CCCS(C)(=O)=O)CC1 ZINC000731257767 1076772091 /nfs/dbraw/zinc/77/20/91/1076772091.db2.gz LXZIPUPEFCESNL-UHFFFAOYSA-N 0 3 410.536 1.397 20 0 HDADHN O=C(c1cccnc1N1CC[C@@H]2NCCO[C@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164390044 718823557 /nfs/dbraw/zinc/82/35/57/718823557.db2.gz LGYPANUCVBMCDK-VXKWHMMOSA-N 0 3 421.545 1.607 20 0 HDADHN CNC(=O)CN1CCCC12CCN(c1ncccc1S(=O)(=O)N1CCCC1)CC2 ZINC001164685462 719732757 /nfs/dbraw/zinc/73/27/57/719732757.db2.gz LFUSOFHDWZVJHC-UHFFFAOYSA-N 0 3 421.567 1.047 20 0 HDADHN CNC(=O)CN1CCCC12CCN(c1nc(OC)nc(N3CCCCCC3)n1)CC2 ZINC001164689390 719739441 /nfs/dbraw/zinc/73/94/41/719739441.db2.gz DVFOGTOIFWZLNQ-UHFFFAOYSA-N 0 3 417.558 1.441 20 0 HDADHN CN(C)Cc1ccnc(N2CC[C@@H]3C[C@@H](C(=O)NCCc4ccccn4)O[C@@H]3C2)c1 ZINC001164701504 719820001 /nfs/dbraw/zinc/82/00/01/719820001.db2.gz PMQLAUNLSCJLBJ-HLAWJBBLSA-N 0 3 409.534 1.881 20 0 HDADHN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1cc(Cl)nc2c1CCNC2 ZINC001164704426 719865714 /nfs/dbraw/zinc/86/57/14/719865714.db2.gz LXIKTTOUGXJPDG-XOBRGWDASA-N 0 3 408.930 1.613 20 0 HDADHN CN(Cc1ccc(N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)nc1)C1CC1 ZINC001164703622 719923103 /nfs/dbraw/zinc/92/31/03/719923103.db2.gz LCJHFDXKKPOFQP-RLLQIKCJSA-N 0 3 400.523 1.929 20 0 HDADHN O=C(N[C@@H]1CN(c2ncccc2CN2CCCC2)C[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC001164717927 720056337 /nfs/dbraw/zinc/05/63/37/720056337.db2.gz ZGYOVBKTFMIRFX-WMQCIHAUSA-N 0 3 422.533 1.881 20 0 HDADHN COC[C@@H]1CN(CC2CC2)C[C@@]12CCN(c1cc(Cl)nc(S(C)(=O)=O)n1)C2 ZINC001164815377 720067704 /nfs/dbraw/zinc/06/77/04/720067704.db2.gz YWKBDKJPCXRBPU-KBXCAEBGSA-N 0 3 414.959 1.718 20 0 HDADHN CNC(=O)CN1CCOC[C@]2(CCCN(c3ccc(CN(C)C4CC4)cn3)C2)C1 ZINC001164723710 720293266 /nfs/dbraw/zinc/29/32/66/720293266.db2.gz XBIHLXPMVQGHMX-JOCHJYFZSA-N 0 3 401.555 1.341 20 0 HDADHN CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@@H](CCN2c2ccc(CN(C)C3CC3)cn2)O1 ZINC001164723068 720324146 /nfs/dbraw/zinc/32/41/46/720324146.db2.gz GWKOYFPXKYGLJS-SLFFLAALSA-N 0 3 402.539 1.907 20 0 HDADHN CCOC(=O)c1cnc2cc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)[nH]cc1-2 ZINC001164739006 720749198 /nfs/dbraw/zinc/74/91/98/720749198.db2.gz HKQABBQDSIDCAJ-CABCVRRESA-N 0 3 408.462 1.872 20 0 HDADHN c1nc2c(ncnc2N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1-c1ccccc1 ZINC001164751986 720796675 /nfs/dbraw/zinc/79/66/75/720796675.db2.gz YIYQFHRCTHKXBP-MSOLQXFVSA-N 0 3 414.473 1.947 20 0 HDADHN CNC(=O)c1nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1Cl ZINC001164863397 721106966 /nfs/dbraw/zinc/10/69/66/721106966.db2.gz CFKFHKCGFFMXMR-HZPDHXFCSA-N 0 3 401.898 1.969 20 0 HDADHN CNC(=O)c1nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1Cl ZINC001164863400 721107251 /nfs/dbraw/zinc/10/72/51/721107251.db2.gz CFKFHKCGFFMXMR-JKSUJKDBSA-N 0 3 401.898 1.969 20 0 HDADHN CN1CCOc2c(Cl)nnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c21 ZINC001164872218 721130385 /nfs/dbraw/zinc/13/03/85/721130385.db2.gz GYEFNIKBJQAPHU-HZPDHXFCSA-N 0 3 416.913 1.833 20 0 HDADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(CN5C(=O)CCC5=O)cn4)C[C@@H]3C2)cn1 ZINC001164764303 721163853 /nfs/dbraw/zinc/16/38/53/721163853.db2.gz GZZSIYOBHSYUJQ-MOPGFXCFSA-N 0 3 408.506 1.422 20 0 HDADHN CC(C)NS(=O)(=O)c1ccc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164764059 721196642 /nfs/dbraw/zinc/19/66/42/721196642.db2.gz GCXAWGJJEYMPLE-ROUUACIJSA-N 0 3 418.567 1.460 20 0 HDADHN CN(Cc1ccc(N2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)nc1)C1CC1 ZINC001164882486 721338070 /nfs/dbraw/zinc/33/80/70/721338070.db2.gz FHNXQZWZDOYQFF-XXBNENTESA-N 0 3 414.550 1.768 20 0 HDADHN O=C(COC[C@]12COC[C@@H]1CN(c1ncccc1CN1CCCC1)C2)N1CCCC1 ZINC001164886369 721338497 /nfs/dbraw/zinc/33/84/97/721338497.db2.gz RRBXGOZANVRZAJ-REWPJTCUSA-N 0 3 414.550 1.769 20 0 HDADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc(N5CCCC5)n4)C3)O2)CC1 ZINC001164888055 721378909 /nfs/dbraw/zinc/37/89/09/721378909.db2.gz JFAHCIVMJISXFP-SIKLNZKXSA-N 0 3 400.571 1.842 20 0 HDADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(Cn5cncn5)cn4)C3)O2)CC1 ZINC001164899371 721434982 /nfs/dbraw/zinc/43/49/82/721434982.db2.gz YIZURXCASYTBJI-IRLDBZIGSA-N 0 3 411.554 1.487 20 0 HDADHN COC(=O)c1cc2c(ncnc2N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)[nH]1 ZINC001164802491 721534777 /nfs/dbraw/zinc/53/47/77/721534777.db2.gz GMNZUAPNLJGDPY-QYZOEREBSA-N 0 3 422.489 1.959 20 0 HDADHN CN1CCN(c2nccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164905404 721561276 /nfs/dbraw/zinc/56/12/76/721561276.db2.gz HGBFHVQMZIEMAK-ICSRJNTNSA-N 0 3 412.513 1.709 20 0 HDADHN NS(=O)(=O)c1cccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164912194 721736939 /nfs/dbraw/zinc/73/69/39/721736939.db2.gz MOOVICGXPLBLSB-GOSISDBHSA-N 0 3 423.489 1.862 20 0 HDADHN CN(Cc1ccc(N2CCC[C@@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)nc1)C1CC1 ZINC001165023739 721777494 /nfs/dbraw/zinc/77/74/94/721777494.db2.gz UNHANGASDHNGIB-REWPJTCUSA-N 0 3 414.550 1.910 20 0 HDADHN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001165024269 721787917 /nfs/dbraw/zinc/78/79/17/721787917.db2.gz RQIKEDGPJWLKKM-QFIPXVFZSA-N 0 3 402.539 1.768 20 0 HDADHN COc1cc(OC)nc(CN2CCN(c3cc(Cl)nc4c3CCNC4)CC2)n1 ZINC001165030771 721849717 /nfs/dbraw/zinc/84/97/17/721849717.db2.gz WGSBUZUWSUEPRG-UHFFFAOYSA-N 0 3 404.902 1.510 20 0 HDADHN Cc1nc(N2CCCC2)cc(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)n1 ZINC001164931641 721902956 /nfs/dbraw/zinc/90/29/56/721902956.db2.gz WBEQNONTKQMOTH-UHFFFAOYSA-N 0 3 411.554 1.990 20 0 HDADHN c1cc(CN2CCOCC3(CCN(c4ccnc(N5CCOCC5)n4)CC3)C2)ccn1 ZINC001164964039 722057763 /nfs/dbraw/zinc/05/77/63/722057763.db2.gz RAXWNTQSGOMTNY-UHFFFAOYSA-N 0 3 424.549 1.827 20 0 HDADHN COC(=O)c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc1OC ZINC001164978199 722103765 /nfs/dbraw/zinc/10/37/65/722103765.db2.gz GDNZEGXEKQASLC-PXNSSMCTSA-N 0 3 412.490 1.999 20 0 HDADHN CON(C)C(=O)c1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982041 722133582 /nfs/dbraw/zinc/13/35/82/722133582.db2.gz QUQLBFWLPGSIGC-QUCCMNQESA-N 0 3 411.506 1.837 20 0 HDADHN c1cnc(N2CCOC[C@@]3(CN(c4ccc(CN5CCCC5)cn4)CCO3)C2)nc1 ZINC001165001143 722247168 /nfs/dbraw/zinc/24/71/68/722247168.db2.gz MXAHRPUIIBJMMF-JOCHJYFZSA-N 0 3 410.522 1.580 20 0 HDADHN COC(=O)C[C@H]1CN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000429046412 1073462473 /nfs/dbraw/zinc/46/24/73/1073462473.db2.gz NJCJXIBVQAOVHM-RBUKOAKNSA-N 0 3 405.495 1.251 20 0 HDADHN Cn1cccc1C(=O)N1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000673641057 1073472425 /nfs/dbraw/zinc/47/24/25/1073472425.db2.gz VTIHADCOLRLERY-UHFFFAOYSA-N 0 3 409.534 1.522 20 0 HDADHN O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000625183916 1073552046 /nfs/dbraw/zinc/55/20/46/1073552046.db2.gz OWVKDZFYPIKQNZ-SFHVURJKSA-N 0 3 424.501 1.337 20 0 HDADHN COc1cccc([C@H](CNC(=O)CCn2nc3ccccn3c2=O)N2CCCC2)c1 ZINC000509112778 1073562655 /nfs/dbraw/zinc/56/26/55/1073562655.db2.gz RHIBBJGWIUOPCX-IBGZPJMESA-N 0 3 409.490 1.848 20 0 HDADHN CN(C(=O)COc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000673701187 1073643402 /nfs/dbraw/zinc/64/34/02/1073643402.db2.gz VKVPYEKZDFTPAN-GOSISDBHSA-N 0 3 417.531 1.836 20 0 HDADHN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000673700892 1073643974 /nfs/dbraw/zinc/64/39/74/1073643974.db2.gz XESYACYFZOSMSV-PMACEKPBSA-N 0 3 400.523 1.237 20 0 HDADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000766019914 1073650648 /nfs/dbraw/zinc/65/06/48/1073650648.db2.gz NUGIUYJMCOTBHR-LJQANCHMSA-N 0 3 419.501 1.433 20 0 HDADHN Cc1c(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)nnn1Cc1ccncc1 ZINC000509139452 1073707636 /nfs/dbraw/zinc/70/76/36/1073707636.db2.gz NUUGEUDMESVBSH-IAGOWNOFSA-N 0 3 412.538 1.991 20 0 HDADHN CCS(=O)(=O)N1CC(CNC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000429141591 1073755919 /nfs/dbraw/zinc/75/59/19/1073755919.db2.gz JYXGUAJRIOOXPQ-IBGZPJMESA-N 0 3 410.584 1.724 20 0 HDADHN Cn1c2ncn(CCN3CC[C@H](Sc4cccc(Cl)c4)C3)c2c(=O)n(C)c1=O ZINC000429156150 1073802492 /nfs/dbraw/zinc/80/24/92/1073802492.db2.gz DVXXQMCWAYECQE-HNNXBMFYSA-N 0 3 419.938 1.954 20 0 HDADHN COc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1[N-]S(C)(=O)=O ZINC000673860837 1073829126 /nfs/dbraw/zinc/82/91/26/1073829126.db2.gz YNGIOCUGQVFPFQ-HZPDHXFCSA-N 0 3 412.512 1.130 20 0 HDADHN Cc1c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)nnn1-c1cccc2c1CCN(C)C2 ZINC000673935789 1073908405 /nfs/dbraw/zinc/90/84/05/1073908405.db2.gz STWPMLPTSISQIT-RBBKRZOGSA-N 0 3 403.486 1.952 20 0 HDADHN Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000673942196 1073916675 /nfs/dbraw/zinc/91/66/75/1073916675.db2.gz QGOUVXNEKIJHCI-UHFFFAOYSA-N 0 3 417.531 1.529 20 0 HDADHN C[C@H](CNC(=O)C(=O)Nc1cccnc1N1CCCCC1)CN1CCN(C)CC1 ZINC000509191868 1074026561 /nfs/dbraw/zinc/02/65/61/1074026561.db2.gz MOBYTNGCTDQEEH-QGZVFWFLSA-N 0 3 402.543 1.010 20 0 HDADHN CCCNC(=O)c1ccc(NC(=O)N2CCN(C(=O)CN(CC)CC)CC2)cc1 ZINC000509195058 1074037781 /nfs/dbraw/zinc/03/77/81/1074037781.db2.gz JMSUHKBXDCKGMT-UHFFFAOYSA-N 0 3 403.527 1.844 20 0 HDADHN COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000543535290 1074042384 /nfs/dbraw/zinc/04/23/84/1074042384.db2.gz UZNOWSUCOYNMMD-OAHLLOKOSA-N 0 3 402.495 1.151 20 0 HDADHN Cc1ccc(NC(=O)C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)c(=O)[nH]1 ZINC000543558411 1074098606 /nfs/dbraw/zinc/09/86/06/1074098606.db2.gz LNXVJJQZOIYIBT-HOTGVXAUSA-N 0 3 404.511 1.772 20 0 HDADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(C(=O)c2cccn2C)CC1 ZINC000674039794 1074111969 /nfs/dbraw/zinc/11/19/69/1074111969.db2.gz WMHJKBDXQNEZFY-UHFFFAOYSA-N 0 3 411.506 1.318 20 0 HDADHN NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000466614439 1074113003 /nfs/dbraw/zinc/11/30/03/1074113003.db2.gz SEOONUKBPLVWRR-UXHICEINSA-N 0 3 402.539 1.877 20 0 HDADHN NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000466614441 1074113075 /nfs/dbraw/zinc/11/30/75/1074113075.db2.gz SEOONUKBPLVWRR-WOJBJXKFSA-N 0 3 402.539 1.877 20 0 HDADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000674039997 1074123731 /nfs/dbraw/zinc/12/37/31/1074123731.db2.gz HTCJAQRAQWCYCJ-KBXCAEBGSA-N 0 3 412.494 1.039 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@H](CCO)C3)c(C)c2)CC1 ZINC000674205916 1074220411 /nfs/dbraw/zinc/22/04/11/1074220411.db2.gz MEEOYFYDFXXHAU-GOSISDBHSA-N 0 3 402.539 1.696 20 0 HDADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@H](CCO)C3)cc2)CC1 ZINC000674205625 1074220856 /nfs/dbraw/zinc/22/08/56/1074220856.db2.gz IXGBZDCCZYTNBJ-GOSISDBHSA-N 0 3 402.539 1.384 20 0 HDADHN O=C(Nc1cnc(C2CC2)nc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000674217749 1074229857 /nfs/dbraw/zinc/22/98/57/1074229857.db2.gz HEOQPSSEGRVVEW-PKOBYXMFSA-N 0 3 409.490 1.292 20 0 HDADHN COCCN1CCC(NC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CC1 ZINC000140209872 1074247089 /nfs/dbraw/zinc/24/70/89/1074247089.db2.gz ALVASOOIJAZXSZ-FQEVSTJZSA-N 0 3 408.518 1.609 20 0 HDADHN COC1CCN(CCNC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 ZINC000674310229 1074267508 /nfs/dbraw/zinc/26/75/08/1074267508.db2.gz XGPRQHBZDQGRCO-SFHVURJKSA-N 0 3 405.514 1.834 20 0 HDADHN COc1ccc(N2C[C@H](C(=O)NCCN3CCC(OC)CC3)CC2=O)c(OC)c1 ZINC000674311639 1074269477 /nfs/dbraw/zinc/26/94/77/1074269477.db2.gz IMUSRDLICJGZSF-OAHLLOKOSA-N 0 3 405.495 1.284 20 0 HDADHN COC1CCN(CCNC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)CC1 ZINC000674324908 1074274366 /nfs/dbraw/zinc/27/43/66/1074274366.db2.gz SUOYXFPIHLXMNO-QFIPXVFZSA-N 0 3 414.506 1.212 20 0 HDADHN COc1ccc([C@H](CNC(=O)NCCN2CCC(OC)CC2)N2CCOCC2)cc1 ZINC000674325851 1074275288 /nfs/dbraw/zinc/27/52/88/1074275288.db2.gz KUWLGYZICQSASO-NRFANRHFSA-N 0 3 420.554 1.479 20 0 HDADHN COC1CCN(CCNC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)CC1 ZINC000674325785 1074275324 /nfs/dbraw/zinc/27/53/24/1074275324.db2.gz GLOHHDBCNONCNB-HXUWFJFHSA-N 0 3 408.518 1.609 20 0 HDADHN COC1CCN(CCNC(=O)NCc2ccccc2OCCN2CCOCC2)CC1 ZINC000674326978 1074276304 /nfs/dbraw/zinc/27/63/04/1074276304.db2.gz IKRHTIPKXUTHPJ-UHFFFAOYSA-N 0 3 420.554 1.308 20 0 HDADHN COC1CCN(CCNC(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 ZINC000674328283 1074277422 /nfs/dbraw/zinc/27/74/22/1074277422.db2.gz SPXCCHXZXJXTNS-IBGZPJMESA-N 0 3 404.511 1.714 20 0 HDADHN COc1cc(CNC(=O)NCCN2CCC(OC)CC2)ccc1OCC(=O)N(C)C ZINC000674328649 1074278406 /nfs/dbraw/zinc/27/84/06/1074278406.db2.gz PHTLSYSEGLPVSI-UHFFFAOYSA-N 0 3 422.526 1.072 20 0 HDADHN COC1CCN(CCNC(=O)N[C@H](C)CN2CCN(c3ccccc3)CC2)CC1 ZINC000674329799 1074279580 /nfs/dbraw/zinc/27/95/80/1074279580.db2.gz OEYPZARUJTUWSE-LJQANCHMSA-N 0 3 403.571 1.607 20 0 HDADHN O=C(CN[C@H]1Cc2cccc(O)c2C1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000429227104 1074291675 /nfs/dbraw/zinc/29/16/75/1074291675.db2.gz CVPAZDAYORVWRF-KRWDZBQOSA-N 0 3 415.515 1.872 20 0 HDADHN Cc1c(C(=O)N2CCC(c3nnc[nH]3)CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000674364790 1074294687 /nfs/dbraw/zinc/29/46/87/1074294687.db2.gz UANPONJNBFQXCC-UHFFFAOYSA-N 0 3 406.494 1.702 20 0 HDADHN Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)N(C)C)cc1 ZINC000674431740 1074342881 /nfs/dbraw/zinc/34/28/81/1074342881.db2.gz UFPIMEXQWCDJHZ-LLGFUMIMSA-N 0 3 401.511 1.617 20 0 HDADHN C[C@@H](C(=O)N(C)CCN1CCCS1(=O)=O)N1CCC(Cc2ccccc2)CC1 ZINC000674520707 1074417821 /nfs/dbraw/zinc/41/78/21/1074417821.db2.gz KMTYOAVYJYPGLE-SFHVURJKSA-N 0 3 407.580 1.824 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1=O ZINC000674583198 1074448582 /nfs/dbraw/zinc/44/85/82/1074448582.db2.gz JPLKPXQSAWFEET-YVHKJVDXSA-N 0 3 416.497 1.874 20 0 HDADHN CC[C@H](NC(=O)N1CCCN(Cc2ccccc2C)CC1)C(=O)N1CCOCC1 ZINC000674647829 1074496610 /nfs/dbraw/zinc/49/66/10/1074496610.db2.gz YHUCSBAJAHKNAC-FQEVSTJZSA-N 0 3 402.539 1.850 20 0 HDADHN Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)o1 ZINC000674638278 1074497125 /nfs/dbraw/zinc/49/71/25/1074497125.db2.gz FHWRQXJEFKEHRL-FOIQADDNSA-N 0 3 405.499 1.382 20 0 HDADHN Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)o1 ZINC000674638281 1074497648 /nfs/dbraw/zinc/49/76/48/1074497648.db2.gz FHWRQXJEFKEHRL-QRWLVFNGSA-N 0 3 405.499 1.382 20 0 HDADHN CCN(CCNS(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)C(C)C ZINC000509235552 1074543246 /nfs/dbraw/zinc/54/32/46/1074543246.db2.gz BVNDDNGDGDNPOS-UHFFFAOYSA-N 0 3 405.586 1.726 20 0 HDADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000674808872 1074575394 /nfs/dbraw/zinc/57/53/94/1074575394.db2.gz KYIYUBAQZQOOBX-SJORKVTESA-N 0 3 419.551 1.210 20 0 HDADHN CN(C)CCN(Cc1ccco1)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000674859863 1074595188 /nfs/dbraw/zinc/59/51/88/1074595188.db2.gz QCLPQHLFZIVJCG-UHFFFAOYSA-N 0 3 400.545 1.605 20 0 HDADHN CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H](c3ccc(C)cc3)N3CCCC3)CCN2C1=O ZINC000675096236 1074708424 /nfs/dbraw/zinc/70/84/24/1074708424.db2.gz WYAWCBCGCRLGND-MOPGFXCFSA-N 0 3 413.522 1.810 20 0 HDADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000466665036 1074726275 /nfs/dbraw/zinc/72/62/75/1074726275.db2.gz MYUWGHZOGGQGFY-IAGOWNOFSA-N 0 3 409.552 1.338 20 0 HDADHN Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1N1CCOC1=O ZINC000766091796 1074726670 /nfs/dbraw/zinc/72/66/70/1074726670.db2.gz PFRWRGJJEBMLNL-KRWDZBQOSA-N 0 3 415.494 1.722 20 0 HDADHN COc1ccc(C(C)(C)C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1OC ZINC000675137030 1074728641 /nfs/dbraw/zinc/72/86/41/1074728641.db2.gz MLDMQJORJQFBQW-KRWDZBQOSA-N 0 3 403.523 1.922 20 0 HDADHN O=C([C@H]1CN2CCN1CCC2)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000766092587 1074733319 /nfs/dbraw/zinc/73/33/19/1074733319.db2.gz BPZXORANZSXTJJ-LLVKDONJSA-N 0 3 404.383 1.421 20 0 HDADHN COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NCC(C)(C)N2CCCCC2)C1=O ZINC000675128768 1074734625 /nfs/dbraw/zinc/73/46/25/1074734625.db2.gz IPHIDGUVETYWNQ-MRXNPFEDSA-N 0 3 416.522 1.297 20 0 HDADHN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429333368 1074819601 /nfs/dbraw/zinc/81/96/01/1074819601.db2.gz YTAXDWBRRSJGAZ-MSOLQXFVSA-N 0 3 411.568 1.358 20 0 HDADHN CC(C)(C)C(=O)Cn1cc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)nn1 ZINC000429334681 1075100185 /nfs/dbraw/zinc/10/01/85/1075100185.db2.gz UPKBAKJDMHADPG-GOSISDBHSA-N 0 3 413.522 1.914 20 0 HDADHN CC(C)(C)C(=O)Cn1cc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)nn1 ZINC000429334685 1075100196 /nfs/dbraw/zinc/10/01/96/1075100196.db2.gz UPKBAKJDMHADPG-SFHVURJKSA-N 0 3 413.522 1.914 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)CC1 ZINC000675396750 1075125978 /nfs/dbraw/zinc/12/59/78/1075125978.db2.gz KZBDZKZOVDZVMR-ZWKOTPCHSA-N 0 3 412.538 1.573 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)CC1 ZINC000675396748 1075126013 /nfs/dbraw/zinc/12/60/13/1075126013.db2.gz KZBDZKZOVDZVMR-QZTJIDSGSA-N 0 3 412.538 1.573 20 0 HDADHN C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000675410755 1075132651 /nfs/dbraw/zinc/13/26/51/1075132651.db2.gz LREXWLUYDDDSQY-KBPBESRZSA-N 0 3 404.467 1.026 20 0 HDADHN C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000675406724 1075133371 /nfs/dbraw/zinc/13/33/71/1075133371.db2.gz CXBALDUDZLFHMY-WBVHZDCISA-N 0 3 416.522 1.254 20 0 HDADHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c2ccccc2O1 ZINC000675469616 1075165035 /nfs/dbraw/zinc/16/50/35/1075165035.db2.gz OLUBGFSJUNGUQQ-CYBMUJFWSA-N 0 3 403.460 1.649 20 0 HDADHN CCS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1 ZINC000675469517 1075165060 /nfs/dbraw/zinc/16/50/60/1075165060.db2.gz NNRWNLHAFIIIBB-HNNXBMFYSA-N 0 3 424.544 1.998 20 0 HDADHN O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000532020763 1075166945 /nfs/dbraw/zinc/16/69/45/1075166945.db2.gz OBOHMSPMGRJHDG-CYBMUJFWSA-N 0 3 422.411 1.921 20 0 HDADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429352409 1075171402 /nfs/dbraw/zinc/17/14/02/1075171402.db2.gz WKKYKNYKJJAJBW-UHOSZYNNSA-N 0 3 411.568 1.358 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccnc2)c2ccccc2O1 ZINC000675491416 1075175601 /nfs/dbraw/zinc/17/56/01/1075175601.db2.gz LSQMZHJFXORCKS-OAHLLOKOSA-N 0 3 404.492 1.058 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)c2ccccc2O1 ZINC000675491772 1075176323 /nfs/dbraw/zinc/17/63/23/1075176323.db2.gz MVIJDYKGCWKQQL-AWEZNQCLSA-N 0 3 423.560 1.809 20 0 HDADHN Cc1c(C(=O)NC[C@H](CO)Cc2ccco2)nnn1-c1cccc2c1CCN(C)C2 ZINC000675515803 1075181447 /nfs/dbraw/zinc/18/14/47/1075181447.db2.gz ADNBCAGIYWSDSN-MRXNPFEDSA-N 0 3 409.490 1.738 20 0 HDADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000675511406 1075189411 /nfs/dbraw/zinc/18/94/11/1075189411.db2.gz HALJBNXEGMLPSB-KGLIPLIRSA-N 0 3 409.533 1.771 20 0 HDADHN CCn1c2ccc(C(=O)N3C[C@H](CN(C)C)Oc4ccccc43)cc2[nH]c(=O)c1=O ZINC000675511316 1075189758 /nfs/dbraw/zinc/18/97/58/1075189758.db2.gz DNRSKVYRHVFQTC-HNNXBMFYSA-N 0 3 408.458 1.679 20 0 HDADHN CN(C)C[C@H]1CN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c2ccccc2O1 ZINC000675511905 1075190700 /nfs/dbraw/zinc/19/07/00/1075190700.db2.gz ZBUXWYVSYPMKMI-KSFYIVLOSA-N 0 3 408.458 1.711 20 0 HDADHN CC(C)=CCCNC(=O)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000675531275 1075192140 /nfs/dbraw/zinc/19/21/40/1075192140.db2.gz SOJOHRNOPLTMEJ-HXUWFJFHSA-N 0 3 413.566 1.915 20 0 HDADHN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC1CCN([C@@H]3CCOC3)CC1)C2=O ZINC000675537183 1075194152 /nfs/dbraw/zinc/19/41/52/1075194152.db2.gz YKQSRFFOBIMIEZ-ZDPZECHZSA-N 0 3 420.554 1.493 20 0 HDADHN COc1ccc(C)cc1N1C[C@@H](C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1=O ZINC000675537746 1075195172 /nfs/dbraw/zinc/19/51/72/1075195172.db2.gz JTMRWEVCWWOWFF-FUHWJXTLSA-N 0 3 401.507 1.726 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000675538059 1075195234 /nfs/dbraw/zinc/19/52/34/1075195234.db2.gz AXYVCTBNJIARPC-LJQANCHMSA-N 0 3 421.563 1.844 20 0 HDADHN COc1cccc(C[C@@H](C(=O)NC2CCN([C@H]3CCOC3)CC2)n2nnnc2C)c1 ZINC000675541234 1075196919 /nfs/dbraw/zinc/19/69/19/1075196919.db2.gz MDGCFZRDXGRJLT-ICSRJNTNSA-N 0 3 414.510 1.143 20 0 HDADHN COCCN1CCC(NC(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000543636484 1075215369 /nfs/dbraw/zinc/21/53/69/1075215369.db2.gz ZNKWWIWZQBGVFJ-UHFFFAOYSA-N 0 3 410.540 1.668 20 0 HDADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000490443546 1075229807 /nfs/dbraw/zinc/22/98/07/1075229807.db2.gz KAUXYUYTAFRIMQ-LBPRGKRZSA-N 0 3 410.400 1.825 20 0 HDADHN C[C@@H](C(=O)N1CCCC1)N1CCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000509357381 1075241652 /nfs/dbraw/zinc/24/16/52/1075241652.db2.gz KNJBIDQKOZHLIG-QFIPXVFZSA-N 0 3 413.610 1.827 20 0 HDADHN CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000675643078 1075246386 /nfs/dbraw/zinc/24/63/86/1075246386.db2.gz TVDFEPCTFYCKJG-LJQANCHMSA-N 0 3 409.552 1.644 20 0 HDADHN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000675699208 1075260202 /nfs/dbraw/zinc/26/02/02/1075260202.db2.gz RKUPZHHAQRBPAZ-YOEHRIQHSA-N 0 3 422.551 1.302 20 0 HDADHN CNS(=O)(=O)Cc1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000675764976 1075268628 /nfs/dbraw/zinc/26/86/28/1075268628.db2.gz YTKNZNNNLTVBLL-AWEZNQCLSA-N 0 3 411.549 1.495 20 0 HDADHN COCCN1CCC[C@H](NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000675786721 1075271571 /nfs/dbraw/zinc/27/15/71/1075271571.db2.gz ZSFZWDZAQSYGMP-IBGZPJMESA-N 0 3 402.539 1.342 20 0 HDADHN COc1c(C)cnc(Cn2cnc(NC(=O)c3cc(CN4CCCC4)on3)n2)c1C ZINC000462329229 1075281512 /nfs/dbraw/zinc/28/15/12/1075281512.db2.gz XWGSPTZCKIMGSU-UHFFFAOYSA-N 0 3 411.466 2.183 20 0 HDADHN Cc1ccc(Cc2nnc(NC(=O)NC[C@@H](C)CN3CCN(C)CC3)s2)cc1 ZINC000466133189 1075287115 /nfs/dbraw/zinc/28/71/15/1075287115.db2.gz DSGNTCPAEHQENG-MRXNPFEDSA-N 0 3 402.568 2.442 20 0 HDADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1 ZINC000675917754 1075291100 /nfs/dbraw/zinc/29/11/00/1075291100.db2.gz CPLILOUHVJMUIU-KRWDZBQOSA-N 0 3 418.925 1.845 20 0 HDADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)C[C@@]3(C)CCS(=O)(=O)N3)CC2)cc1 ZINC001129157265 1075322737 /nfs/dbraw/zinc/32/27/37/1075322737.db2.gz FABZCELNTZHALG-HXUWFJFHSA-N 0 3 422.551 1.198 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000676044869 1075338782 /nfs/dbraw/zinc/33/87/82/1075338782.db2.gz LPWYJWGSLVHNPW-MRXNPFEDSA-N 0 3 403.433 1.909 20 0 HDADHN Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000643605685 1075411502 /nfs/dbraw/zinc/41/15/02/1075411502.db2.gz QGOXDNMQEITSRD-HXUWFJFHSA-N 0 3 419.485 2.325 20 0 HDADHN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000533317542 1075420399 /nfs/dbraw/zinc/42/03/99/1075420399.db2.gz LZRCHMZULPCPPN-UHFFFAOYSA-N 0 3 402.474 1.986 20 0 HDADHN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000556435733 1075421296 /nfs/dbraw/zinc/42/12/96/1075421296.db2.gz RINMOQGGVPGZND-AWEZNQCLSA-N 0 3 414.485 1.986 20 0 HDADHN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000532998610 1075422749 /nfs/dbraw/zinc/42/27/49/1075422749.db2.gz VMIFDNMLWCPDTA-HNNXBMFYSA-N 0 3 400.458 1.740 20 0 HDADHN CS(=O)(=O)CCN1CCC(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000731685848 1075448501 /nfs/dbraw/zinc/44/85/01/1075448501.db2.gz DEDOJBOZNRFAGP-FQEVSTJZSA-N 0 3 422.595 1.632 20 0 HDADHN CCNS(=O)(=O)CCNCc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000731677797 1075461414 /nfs/dbraw/zinc/46/14/14/1075461414.db2.gz RBRCDZZYTPEKAJ-UHFFFAOYSA-N 0 3 410.565 1.676 20 0 HDADHN COc1cc(CN[C@@H]2CC(=O)N3CCCC[C@@H]23)ccc1OCC(=O)N1CCOCC1 ZINC000509399619 1075486847 /nfs/dbraw/zinc/48/68/47/1075486847.db2.gz ABGMOEGVAXDWTK-MSOLQXFVSA-N 0 3 417.506 1.176 20 0 HDADHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cnn(C)c1Br ZINC000711749114 1075487309 /nfs/dbraw/zinc/48/73/09/1075487309.db2.gz KYGUDUXTWKKTFI-SFHVURJKSA-N 0 3 407.312 1.892 20 0 HDADHN CC[C@H](C)n1nc(NC(=O)C(=O)N2CCN(c3ccncc3OC)CC2)cc1C ZINC000485056415 1075489446 /nfs/dbraw/zinc/48/94/46/1075489446.db2.gz KRVXTXMAYBKFCM-AWEZNQCLSA-N 0 3 400.483 1.853 20 0 HDADHN CNC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2(N(C)C)CCOCC2)c1OC ZINC000509400812 1075490316 /nfs/dbraw/zinc/49/03/16/1075490316.db2.gz HIERAYHWTOIUNC-UHFFFAOYSA-N 0 3 419.931 1.097 20 0 HDADHN C[C@H](NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)[C@@H]1CN(C)CCO1 ZINC000676296248 1075499264 /nfs/dbraw/zinc/49/92/64/1075499264.db2.gz LRONQGJWLVLQOI-FZMZJTMJSA-N 0 3 423.315 1.753 20 0 HDADHN CCN(CC)CC(=O)N1CCN([C@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 ZINC000466726321 1075502415 /nfs/dbraw/zinc/50/24/15/1075502415.db2.gz IIAYAHXAFGNTGJ-INIZCTEOSA-N 0 3 422.551 1.126 20 0 HDADHN Cc1n[nH]cc1-c1nnc(NC(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)s1 ZINC000547755105 1075503021 /nfs/dbraw/zinc/50/30/21/1075503021.db2.gz ZYFQPRYNBMCMFQ-AWEZNQCLSA-N 0 3 404.544 1.869 20 0 HDADHN O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676340989 1075514046 /nfs/dbraw/zinc/51/40/46/1075514046.db2.gz HKUYYLHYSNZWJN-MRXNPFEDSA-N 0 3 400.479 1.121 20 0 HDADHN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676341625 1075515150 /nfs/dbraw/zinc/51/51/50/1075515150.db2.gz BDVTVXYEBUIZAT-CYBMUJFWSA-N 0 3 406.874 1.307 20 0 HDADHN O=C(CCn1ccnc1)Nc1cccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000676341676 1075515234 /nfs/dbraw/zinc/51/52/34/1075515234.db2.gz CHJZEFUSWSNFQL-HXUWFJFHSA-N 0 3 411.506 1.895 20 0 HDADHN Cc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1C ZINC000676341618 1075515268 /nfs/dbraw/zinc/51/52/68/1075515268.db2.gz AWBSEGZXMIHWKL-SFHVURJKSA-N 0 3 409.552 1.293 20 0 HDADHN NC(=O)c1ncn2c1nc(-c1ccco1)cc2C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676342297 1075516306 /nfs/dbraw/zinc/51/63/06/1075516306.db2.gz GIIGEEPTZXRRJR-CQSZACIVSA-N 0 3 424.461 1.071 20 0 HDADHN CN(CC(=O)NC1CCN([C@H]2CCOC2)CC1)C(=O)c1ccc(Br)o1 ZINC000676343968 1075517149 /nfs/dbraw/zinc/51/71/49/1075517149.db2.gz DQUPOYZDHMYRPO-ZDUSSCGKSA-N 0 3 414.300 1.484 20 0 HDADHN CCN1CCN(c2ccc(C(=O)NC3CCN([C@H]4CCOC4)CC3)cc2F)CC1 ZINC000676343549 1075517450 /nfs/dbraw/zinc/51/74/50/1075517450.db2.gz UAOQGWRBSZZCLA-IBGZPJMESA-N 0 3 404.530 1.951 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](O)Cc3ccccc3)c(C)c2)CC1 ZINC000509409740 1075532206 /nfs/dbraw/zinc/53/22/06/1075532206.db2.gz DFYDBCLEVREZMQ-NRFANRHFSA-N 0 3 424.545 1.795 20 0 HDADHN COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)c1 ZINC000731851154 1075533723 /nfs/dbraw/zinc/53/37/23/1075533723.db2.gz JHQXUVOJBUPVFX-WHLNPGIBSA-N 0 3 412.508 1.605 20 0 HDADHN CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000676393578 1075541818 /nfs/dbraw/zinc/54/18/18/1075541818.db2.gz QDVSKPWHQWOREZ-VQTJNVASSA-N 0 3 402.539 1.880 20 0 HDADHN Cc1cc(NC(=O)C(=O)NCc2cocn2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000676453587 1075558963 /nfs/dbraw/zinc/55/89/63/1075558963.db2.gz YORBGHURAAMRBR-GOSISDBHSA-N 0 3 408.462 1.881 20 0 HDADHN CN(C(=O)C(=O)Nc1ccn(-c2ccncc2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000446872209 1075585591 /nfs/dbraw/zinc/58/55/91/1075585591.db2.gz KGQFYASWDUWNLN-IBGZPJMESA-N 0 3 404.474 1.939 20 0 HDADHN CON(C)S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)ccc1Cl ZINC000732035808 1075592131 /nfs/dbraw/zinc/59/21/31/1075592131.db2.gz QYFSCSXQVJAUPW-AWEZNQCLSA-N 0 3 401.916 1.831 20 0 HDADHN CC(C)(C)N1C[C@@H](NC(=O)NCc2ccccc2CN2CCC(O)CC2)CC1=O ZINC000429447973 1075601978 /nfs/dbraw/zinc/60/19/78/1075601978.db2.gz SPLXQSFERBFOPV-SFHVURJKSA-N 0 3 402.539 1.842 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCc2ccc3c(c2)OCCO3)CC1 ZINC000509424010 1075602743 /nfs/dbraw/zinc/60/27/43/1075602743.db2.gz XUNGYAHPPQCTLH-UHFFFAOYSA-N 0 3 404.511 1.196 20 0 HDADHN CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1 ZINC000732095265 1075610464 /nfs/dbraw/zinc/61/04/64/1075610464.db2.gz BXWHVPIIVDAMFH-UHFFFAOYSA-N 0 3 414.959 1.690 20 0 HDADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1 ZINC000676614177 1075616210 /nfs/dbraw/zinc/61/62/10/1075616210.db2.gz ADHFNYVLORCKGA-UHFFFAOYSA-N 0 3 408.453 1.514 20 0 HDADHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)CC1=O ZINC000429456773 1075625350 /nfs/dbraw/zinc/62/53/50/1075625350.db2.gz XUPNNHMJEKQMDC-JUSBFGHESA-N 0 3 400.523 1.178 20 0 HDADHN CNC(=O)Cc1ccc(NC(=O)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000676659013 1075641370 /nfs/dbraw/zinc/64/13/70/1075641370.db2.gz IFCDHDCWARXZLY-MRXNPFEDSA-N 0 3 423.517 1.650 20 0 HDADHN CN(C(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000732165453 1075643613 /nfs/dbraw/zinc/64/36/13/1075643613.db2.gz GNLZNRXYAOLSLL-OABSHCPFSA-N 0 3 410.518 1.485 20 0 HDADHN COCc1ncc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)c(N)n1 ZINC000498639678 1075666030 /nfs/dbraw/zinc/66/60/30/1075666030.db2.gz TVOZJXZGNMULJV-UHFFFAOYSA-N 0 3 403.458 1.618 20 0 HDADHN CN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)[C@@H]1CCN(C2CC2)C1 ZINC000732214745 1075669955 /nfs/dbraw/zinc/66/99/55/1075669955.db2.gz VKJGAGJTZXBOMR-GCJKJVERSA-N 0 3 413.522 1.129 20 0 HDADHN CCc1ccccc1Nc1nc(N)nc(CN2CCN(C3CCOCC3)C[C@@H]2C)n1 ZINC000488678235 1075684678 /nfs/dbraw/zinc/68/46/78/1075684678.db2.gz NXFCIZGOBHDKLK-INIZCTEOSA-N 0 3 411.554 1.867 20 0 HDADHN CCc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccncc3OC)CC2)n1 ZINC000483195778 1075685145 /nfs/dbraw/zinc/68/51/45/1075685145.db2.gz MMUPVWMJUKUYAD-UHFFFAOYSA-N 0 3 420.521 1.908 20 0 HDADHN Cc1cccc(N2CCN(CCC(=O)N3CCN(c4nc(N)ns4)CC3)CC2)c1 ZINC000467860708 1075715168 /nfs/dbraw/zinc/71/51/68/1075715168.db2.gz AWQKIGALKUZQTG-UHFFFAOYSA-N 0 3 415.567 1.290 20 0 HDADHN CN(C)C1(CNC(=O)C(=O)Nc2ccn(-c3ccccc3)n2)Cc2ccccc2C1 ZINC000441906329 1075717631 /nfs/dbraw/zinc/71/76/31/1075717631.db2.gz DUKYWFZXHVWTKK-UHFFFAOYSA-N 0 3 403.486 2.026 20 0 HDADHN CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)CC1 ZINC000732449463 1075741208 /nfs/dbraw/zinc/74/12/08/1075741208.db2.gz SOEMDYYGJMJEEX-GOSISDBHSA-N 0 3 423.558 1.382 20 0 HDADHN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588704165 1075748586 /nfs/dbraw/zinc/74/85/86/1075748586.db2.gz LGRVHUUMOZENRT-OKILXGFUSA-N 0 3 415.542 1.214 20 0 HDADHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000732459071 1075749681 /nfs/dbraw/zinc/74/96/81/1075749681.db2.gz NDASBRFCEGZKFV-HOTGVXAUSA-N 0 3 413.563 1.484 20 0 HDADHN C[C@H](CNC(=O)NCCCNc1ccc(C(F)(F)F)cn1)CN1CCN(C)CC1 ZINC000465536310 1075756406 /nfs/dbraw/zinc/75/64/06/1075756406.db2.gz BFHJFTSUIRUACD-OAHLLOKOSA-N 0 3 416.492 2.085 20 0 HDADHN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000467694991 1075765406 /nfs/dbraw/zinc/76/54/06/1075765406.db2.gz CYLGDFAEPHCNHV-KDOFPFPSSA-N 0 3 407.522 2.035 20 0 HDADHN CN(C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)[C@H]1CCN(C2CC2)C1 ZINC000509269387 1075783198 /nfs/dbraw/zinc/78/31/98/1075783198.db2.gz SSQRJDVRELMHSO-HOCLYGCPSA-N 0 3 412.581 1.637 20 0 HDADHN CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@H](NC2CCS(=O)(=O)CC2)C1=O ZINC000463282174 1075801960 /nfs/dbraw/zinc/80/19/60/1075801960.db2.gz QMEGPCLXDMAJGL-ZWKOTPCHSA-N 0 3 422.547 1.837 20 0 HDADHN C[C@H]1CN(CCC2CCN(C(=O)C(=O)Nc3ncn(C(C)(C)C)n3)CC2)C[C@H](C)O1 ZINC000542349716 1075808710 /nfs/dbraw/zinc/80/87/10/1075808710.db2.gz JWAHKYRKFHYQQP-HOTGVXAUSA-N 0 3 420.558 1.710 20 0 HDADHN COC(=O)c1c(C)cccc1S(=O)(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000611025937 1075812948 /nfs/dbraw/zinc/81/29/48/1075812948.db2.gz PXXFUVNNQAGBNB-KRWDZBQOSA-N 0 3 409.552 1.571 20 0 HDADHN COC(=O)c1c(C)cccc1S(=O)(=O)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000611026886 1075813538 /nfs/dbraw/zinc/81/35/38/1075813538.db2.gz YMCCITZONLVTPQ-IAGOWNOFSA-N 0 3 410.536 1.828 20 0 HDADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000732659533 1075819442 /nfs/dbraw/zinc/81/94/42/1075819442.db2.gz SCLCVLRQLIIMAI-ROUUACIJSA-N 0 3 408.449 1.517 20 0 HDADHN Cc1cc(N2CCN(C(=O)COc3ccc(Br)cc3)CC2)nc(N)n1 ZINC000732667362 1075824809 /nfs/dbraw/zinc/82/48/09/1075824809.db2.gz OUZLIVRTCIQGAF-UHFFFAOYSA-N 0 3 406.284 1.857 20 0 HDADHN CNC(=O)c1cncc(/C=C/C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)c1 ZINC000732741938 1075842969 /nfs/dbraw/zinc/84/29/69/1075842969.db2.gz DMOIMJCGLCEDCR-RUDMXATFSA-N 0 3 421.501 1.919 20 0 HDADHN CN(CCCN1CCN(C)CC1)C(=O)c1csc(CNC(=O)OC(C)(C)C)n1 ZINC000732766212 1075849034 /nfs/dbraw/zinc/84/90/34/1075849034.db2.gz UNONGTFKQKJQJS-UHFFFAOYSA-N 0 3 411.572 1.877 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cncc(I)c1 ZINC000611136920 1075857111 /nfs/dbraw/zinc/85/71/11/1075857111.db2.gz WRGXFJNCHRGZBH-CQSZACIVSA-N 0 3 401.248 1.669 20 0 HDADHN CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CC(F)F)n1)N1CCc2ccccc2C1 ZINC000444496034 1075866463 /nfs/dbraw/zinc/86/64/63/1075866463.db2.gz HGNMELIXHCDCBY-QGZVFWFLSA-N 0 3 419.476 2.286 20 0 HDADHN CCOC[C@@H](C(=O)OC)N(C)CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000611209094 1075874174 /nfs/dbraw/zinc/87/41/74/1075874174.db2.gz ZNVXJGNPMBCAHA-FQEVSTJZSA-N 0 3 405.539 1.539 20 0 HDADHN CCOC(=O)c1sc(CNC(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)nc1C ZINC000611210484 1075875153 /nfs/dbraw/zinc/87/51/53/1075875153.db2.gz KJVDFIRGHHXDDI-GOEBONIOSA-N 0 3 423.583 1.796 20 0 HDADHN C[C@H](CNC(=O)c1csc(CNC(=O)OC(C)(C)C)n1)CN1CCN(C)CC1 ZINC000732838691 1075883344 /nfs/dbraw/zinc/88/33/44/1075883344.db2.gz JKWDWTBUCHLXPG-CQSZACIVSA-N 0 3 411.572 1.781 20 0 HDADHN CCOC(=O)c1cc(NC(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)cn1C ZINC000611361789 1075918934 /nfs/dbraw/zinc/91/89/34/1075918934.db2.gz RGHQHKHOXKLLED-SFHVURJKSA-N 0 3 412.490 1.873 20 0 HDADHN C[C@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000766186566 1075925029 /nfs/dbraw/zinc/92/50/29/1075925029.db2.gz XMQZGEPBEQXNTI-IFXJQAMLSA-N 0 3 404.492 1.876 20 0 HDADHN CCN(CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@@H](C)CS(C)(=O)=O ZINC000732984983 1075938845 /nfs/dbraw/zinc/93/88/45/1075938845.db2.gz JYFWIFQUIUABFV-KRWDZBQOSA-N 0 3 410.584 1.522 20 0 HDADHN Cc1cc(NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)ccc1N1C(=O)CCC1=O ZINC000733045813 1075964419 /nfs/dbraw/zinc/96/44/19/1075964419.db2.gz AQWZFUFAZQTUOG-HNNXBMFYSA-N 0 3 400.479 1.578 20 0 HDADHN CCN(CC)CC(=O)N1CCC2(CC1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2 ZINC001080639822 1075991091 /nfs/dbraw/zinc/99/10/91/1075991091.db2.gz GGQOLACZPKJUIU-IYWGDAJJSA-N 0 3 403.567 1.983 20 0 HDADHN CC(C)N(C)CC(=O)N1CCC2(CC1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2 ZINC001080640424 1075991167 /nfs/dbraw/zinc/99/11/67/1075991167.db2.gz LPVRQTQAINDZNB-IYWGDAJJSA-N 0 3 403.567 1.981 20 0 HDADHN CCN1CCN([C@H](C)CNC(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)CC1 ZINC000733161972 1075994607 /nfs/dbraw/zinc/99/46/07/1075994607.db2.gz OEMKZWLXIANQTJ-JPVKTXQWSA-N 0 3 401.490 1.261 20 0 HDADHN C[C@H]1C[C@@H](c2ccccc2)N(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000513261355 1076004881 /nfs/dbraw/zinc/00/48/81/1076004881.db2.gz MZDXGVQHDMUHMS-FPOVZHCZSA-N 0 3 414.550 1.073 20 0 HDADHN Cc1cc(Cn2nnc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)c2C)no1 ZINC000513689276 1076006619 /nfs/dbraw/zinc/00/66/19/1076006619.db2.gz BEXWWMMPAPZVPX-NRFANRHFSA-N 0 3 410.478 1.298 20 0 HDADHN C[C@@H]1CN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000733184816 1076012017 /nfs/dbraw/zinc/01/20/17/1076012017.db2.gz PHZWJLUFSFDWAJ-HUUCEWRRSA-N 0 3 409.531 1.290 20 0 HDADHN CO[C@@H]1CN(CC2CCC(F)(F)CC2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001081974964 1076021156 /nfs/dbraw/zinc/02/11/56/1076021156.db2.gz KCHJWRXCXNSKQN-QXDIGNSFSA-N 0 3 402.482 1.679 20 0 HDADHN CC[C@@H](CO)NCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000727057620 1076034876 /nfs/dbraw/zinc/03/48/76/1076034876.db2.gz BMYSWAVMYLEDFU-KRWDZBQOSA-N 0 3 405.520 1.806 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc2)CC1 ZINC000733310532 1076036098 /nfs/dbraw/zinc/03/60/98/1076036098.db2.gz CBWPRKFUZNENKL-DLBZAZTESA-N 0 3 410.584 1.520 20 0 HDADHN C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC000022057213 1076089595 /nfs/dbraw/zinc/08/95/95/1076089595.db2.gz KFJLWTUVMPMBLO-MRXNPFEDSA-N 0 3 423.535 1.023 20 0 HDADHN CC(C)(C)OC(=O)C1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000727437361 1076121353 /nfs/dbraw/zinc/12/13/53/1076121353.db2.gz LMPALDOKDBGKSY-UHFFFAOYSA-N 0 3 422.526 1.716 20 0 HDADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000733668007 1076148701 /nfs/dbraw/zinc/14/87/01/1076148701.db2.gz AJXXNDVXUZKCKA-GOSISDBHSA-N 0 3 402.495 1.958 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H](OC)C(F)(F)F)cc2)CC1 ZINC000733673998 1076156964 /nfs/dbraw/zinc/15/69/64/1076156964.db2.gz NZEVGLQCWCCRCN-HNNXBMFYSA-N 0 3 402.417 1.461 20 0 HDADHN CCn1nc(C)c(CNC(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)c1C ZINC000727620735 1076187470 /nfs/dbraw/zinc/18/74/70/1076187470.db2.gz GKNIARBKWKGIIO-UHFFFAOYSA-N 0 3 412.538 1.917 20 0 HDADHN O=C(N[C@@H](CN1CCCCC1)c1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000727675503 1076206125 /nfs/dbraw/zinc/20/61/25/1076206125.db2.gz BGNOYOQCBBINAO-IBGZPJMESA-N 0 3 414.531 1.827 20 0 HDADHN COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN(C3CC3)C3CCCC3)C2=O)c1 ZINC000733793778 1076215134 /nfs/dbraw/zinc/21/51/34/1076215134.db2.gz WZPNQLPRFDWFJZ-NRFANRHFSA-N 0 3 400.479 1.900 20 0 HDADHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727753568 1076226106 /nfs/dbraw/zinc/22/61/06/1076226106.db2.gz WDJPDARSWSRWLW-MJGOQNOKSA-N 0 3 400.504 1.670 20 0 HDADHN Cc1ccccc1CN1CCCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000727754907 1076229221 /nfs/dbraw/zinc/22/92/21/1076229221.db2.gz JUUQZASHPPNFIM-FQEVSTJZSA-N 0 3 414.531 1.759 20 0 HDADHN CC(C)N(CCN(C(=S)NC1CCOCC1)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000727782641 1076234263 /nfs/dbraw/zinc/23/42/63/1076234263.db2.gz BFLZXFLJHWCVRV-QGZVFWFLSA-N 0 3 405.630 1.648 20 0 HDADHN C[C@H](CNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)CN1CCN(C)CC1 ZINC000733882693 1076238082 /nfs/dbraw/zinc/23/80/82/1076238082.db2.gz VCKCNZHEYBIHIZ-CYBMUJFWSA-N 0 3 407.458 1.593 20 0 HDADHN CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)c(F)c1 ZINC000733886467 1076240335 /nfs/dbraw/zinc/24/03/35/1076240335.db2.gz DHVRWESFUZAQDN-QGZVFWFLSA-N 0 3 404.486 1.087 20 0 HDADHN CC(C)Cn1nccc1NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000533456626 1076243328 /nfs/dbraw/zinc/24/33/28/1076243328.db2.gz OGXDVNJUCFULCU-IAGOWNOFSA-N 0 3 405.543 1.825 20 0 HDADHN Cc1cccc(N2CCN(CCCCNC(=O)N(C)CCS(C)(=O)=O)CC2)c1 ZINC000728129248 1076339002 /nfs/dbraw/zinc/33/90/02/1076339002.db2.gz UIEHVJXAMSTULL-UHFFFAOYSA-N 0 3 410.584 1.583 20 0 HDADHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000027362337 1076359303 /nfs/dbraw/zinc/35/93/03/1076359303.db2.gz HLQLQAQVQHYAJM-ZDUSSCGKSA-N 0 3 413.521 1.053 20 0 HDADHN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000730218262 1076480505 /nfs/dbraw/zinc/48/05/05/1076480505.db2.gz HGHLERYSZOQZFM-DLBZAZTESA-N 0 3 408.543 1.717 20 0 HDADHN O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000730774081 1076650290 /nfs/dbraw/zinc/65/02/90/1076650290.db2.gz SJYVLSPJVYSGFZ-ULQDDVLXSA-N 0 3 420.897 1.524 20 0 HDADHN CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000730831420 1076664277 /nfs/dbraw/zinc/66/42/77/1076664277.db2.gz JZXNDKFWMPAJAP-KRWDZBQOSA-N 0 3 423.558 1.336 20 0 HDADHN CC1CCN(C(=O)CON=C(N)CCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000731028832 1076713378 /nfs/dbraw/zinc/71/33/78/1076713378.db2.gz QPLSYWCYVBOFLM-UHFFFAOYSA-N 0 3 401.555 1.951 20 0 HDADHN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NC[C@H](C)N2CCN(CC)CC2)C1 ZINC000731232712 1076761102 /nfs/dbraw/zinc/76/11/02/1076761102.db2.gz HFUGKQOMQWFELC-FXAWDEMLSA-N 0 3 415.538 1.327 20 0 HDADHN CN(Cc1ccc(N2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)nc1)C1CC1 ZINC001164701608 719884502 /nfs/dbraw/zinc/88/45/02/719884502.db2.gz NWDXAYNQCKYEKP-QRQLOZEOSA-N 0 3 408.506 1.803 20 0 HDADHN O=C([C@@H]1COC[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]21)N1CCCCO1 ZINC001164704193 719921632 /nfs/dbraw/zinc/92/16/32/719921632.db2.gz OVVNMJKBMSLFDS-VAMGGRTRSA-N 0 3 400.523 1.930 20 0 HDADHN O=C(N[C@@H]1CN(c2ccc(CN3CCCC3)cn2)C[C@H]2CCCO[C@@H]21)c1cnccn1 ZINC001164716834 720055618 /nfs/dbraw/zinc/05/56/18/720055618.db2.gz XLUSRWYASIOPGQ-UZKOGDIHSA-N 0 3 422.533 1.881 20 0 HDADHN CNC(=O)CN1CCOC[C@@]2(CCCN(c3cc(Cl)nc4c3CCNC4)C2)C1 ZINC001164720682 720278460 /nfs/dbraw/zinc/27/84/60/720278460.db2.gz CETAEKRKMKPMAO-FQEVSTJZSA-N 0 3 407.946 1.046 20 0 HDADHN c1cncc(CN2CC[C@@H]3[C@@H]2CCN3c2nc(N3CCOCC3)nc3c2CCN3)c1 ZINC001164721344 720361084 /nfs/dbraw/zinc/36/10/84/720361084.db2.gz BTHIJHWJLSNXRT-RBUKOAKNSA-N 0 3 407.522 1.529 20 0 HDADHN CCOC(=O)c1nc2ccccc2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164742966 720627361 /nfs/dbraw/zinc/62/73/61/720627361.db2.gz NTKUUUSDGQHTDH-CVEARBPZSA-N 0 3 420.473 1.938 20 0 HDADHN COC(=O)c1ccc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)ncc2c1 ZINC001164738722 720638916 /nfs/dbraw/zinc/63/89/16/720638916.db2.gz DEWPYJMRZDNWAM-IAGOWNOFSA-N 0 3 406.446 1.548 20 0 HDADHN CCOC(=O)c1c[nH]c2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164740799 720649986 /nfs/dbraw/zinc/64/99/86/720649986.db2.gz JAIRURCOLNXXQO-ZIAGYGMSSA-N 0 3 409.450 1.267 20 0 HDADHN O=C1NCc2c1c(N1CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C1)nc(Cl)c2F ZINC001164865615 721098659 /nfs/dbraw/zinc/09/86/59/721098659.db2.gz NMQOYRSCECPXRH-KGLIPLIRSA-N 0 3 417.872 1.992 20 0 HDADHN COC(=O)c1nc2cnccc2c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865234 721103381 /nfs/dbraw/zinc/10/33/81/721103381.db2.gz JQVQDWZYJDKHQC-IRXDYDNUSA-N 0 3 420.473 1.686 20 0 HDADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)ncc4N4CCOCC4)C[C@H]3C2)cn1 ZINC001164764224 721138566 /nfs/dbraw/zinc/13/85/66/721138566.db2.gz HLFRDQMUBGRBQZ-IAGOWNOFSA-N 0 3 417.945 1.658 20 0 HDADHN CCc1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)nc(N2CCOCC2)n1 ZINC001164762680 721165803 /nfs/dbraw/zinc/16/58/03/721165803.db2.gz DDIJPCANVWQKMH-RBUKOAKNSA-N 0 3 411.554 1.567 20 0 HDADHN CNC(=O)[C@]12CN(c3ncccc3CN3CCCC3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164869286 721209062 /nfs/dbraw/zinc/20/90/62/721209062.db2.gz QADQDHFKBFIADZ-WMZHIEFXSA-N 0 3 421.549 1.689 20 0 HDADHN CNC(=O)[C@@]12CN(c3ncccc3CN3CCCC3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164869285 721209296 /nfs/dbraw/zinc/20/92/96/721209296.db2.gz QADQDHFKBFIADZ-CVDCTZTESA-N 0 3 421.549 1.689 20 0 HDADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(N5CCOCC5)ncn4)C3)O2)CC1 ZINC001164890526 721387172 /nfs/dbraw/zinc/38/71/72/721387172.db2.gz NWTWOILWWWPSCH-KNQAVFIVSA-N 0 3 416.570 1.079 20 0 HDADHN CCNS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164908688 721553399 /nfs/dbraw/zinc/55/33/99/721553399.db2.gz RQZZAQQPWVQXCC-WMZOPIPTSA-N 0 3 420.510 1.861 20 0 HDADHN CN1CCN(c2nccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164905409 721561399 /nfs/dbraw/zinc/56/13/99/721561399.db2.gz HGBFHVQMZIEMAK-UYAOXDASSA-N 0 3 412.513 1.709 20 0 HDADHN CN(C)Cc1ccnc(N2CCc3ncc(CNC(=O)c4nccn4C)n3CC2)c1 ZINC001165016020 721766079 /nfs/dbraw/zinc/76/60/79/721766079.db2.gz VLVFJBSFYZBYNE-UHFFFAOYSA-N 0 3 408.510 1.066 20 0 HDADHN NC(=O)c1cnc(Cl)cc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981789 722103058 /nfs/dbraw/zinc/10/30/58/722103058.db2.gz MKSKVSYODNMXRR-MAUKXSAKSA-N 0 3 401.898 1.956 20 0 HDADHN NC(=O)c1ccc(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974937 722119824 /nfs/dbraw/zinc/11/98/24/722119824.db2.gz JCFZAYKNQDANOM-WBVHZDCISA-N 0 3 401.898 1.956 20 0 HDADHN CON(C)C(=O)c1cccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982035 722133400 /nfs/dbraw/zinc/13/34/00/722133400.db2.gz QUQLBFWLPGSIGC-AZUAARDMSA-N 0 3 411.506 1.837 20 0 HDADHN CNS(=O)(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164973306 722139857 /nfs/dbraw/zinc/13/98/57/722139857.db2.gz BRQSZPVQUBXYGW-PKOBYXMFSA-N 0 3 417.535 1.112 20 0 HDADHN c1ncn(Cc2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2)n1 ZINC001164977030 722141415 /nfs/dbraw/zinc/14/14/15/722141415.db2.gz HUCUWBQSJIDWBK-SFTDATJTSA-N 0 3 405.506 1.844 20 0 HDADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000429047561 1073467705 /nfs/dbraw/zinc/46/77/05/1073467705.db2.gz XKEQEDLZMNUOMD-SFTDATJTSA-N 0 3 412.538 1.991 20 0 HDADHN O=C(Nc1ccc(CCN2CCOCC2)cc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000429056201 1073484704 /nfs/dbraw/zinc/48/47/04/1073484704.db2.gz YWOQZYGJPGSMJP-HXUWFJFHSA-N 0 3 402.539 1.747 20 0 HDADHN CN(C)CCN1C[C@H](C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1=O ZINC000673646003 1073511711 /nfs/dbraw/zinc/51/17/11/1073511711.db2.gz RUZGJHQZZLEIIE-IJLUTSLNSA-N 0 3 403.367 1.986 20 0 HDADHN CCNC(=O)c1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(C)c1 ZINC000482994377 1073547449 /nfs/dbraw/zinc/54/74/49/1073547449.db2.gz KTQKUHXZNUXQNO-GOSISDBHSA-N 0 3 401.511 1.515 20 0 HDADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000509115699 1073573823 /nfs/dbraw/zinc/57/38/23/1073573823.db2.gz ZQTKQFOJABXGAU-INIZCTEOSA-N 0 3 403.570 1.040 20 0 HDADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@H](CCCO)c2ccccc2)CC1 ZINC000509116298 1073578266 /nfs/dbraw/zinc/57/82/66/1073578266.db2.gz YZOAXJRXLJKUKG-GOSISDBHSA-N 0 3 412.490 1.369 20 0 HDADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000055407338 1073582501 /nfs/dbraw/zinc/58/25/01/1073582501.db2.gz KUZPMQOSPXJSIS-JKSUJKDBSA-N 0 3 405.543 1.084 20 0 HDADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000055407338 1073582510 /nfs/dbraw/zinc/58/25/10/1073582510.db2.gz KUZPMQOSPXJSIS-JKSUJKDBSA-N 0 3 405.543 1.084 20 0 HDADHN C[C@@H](NCCOC[C@H]1CCCO1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766015922 1073599574 /nfs/dbraw/zinc/59/95/74/1073599574.db2.gz WIYILTMYRNQEIM-RHSMWYFYSA-N 0 3 420.553 1.258 20 0 HDADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CCCC1 ZINC000673670196 1073620153 /nfs/dbraw/zinc/62/01/53/1073620153.db2.gz GDPSPPYNUNERNT-ZDUSSCGKSA-N 0 3 412.556 1.729 20 0 HDADHN COC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000673674959 1073630967 /nfs/dbraw/zinc/63/09/67/1073630967.db2.gz JYQSCHDYXBKLID-GDBMZVCRSA-N 0 3 401.429 1.919 20 0 HDADHN CN(Cc1ccccc1)[C@@H]1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000673716686 1073648554 /nfs/dbraw/zinc/64/85/54/1073648554.db2.gz YQVODZUFNHHTRA-GOSISDBHSA-N 0 3 402.520 1.479 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000673749976 1073694162 /nfs/dbraw/zinc/69/41/62/1073694162.db2.gz HBAMWRALFDTYTL-MRXNPFEDSA-N 0 3 405.524 1.044 20 0 HDADHN COc1cc(C(=O)N(C)C)ccc1NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000429124746 1073696732 /nfs/dbraw/zinc/69/67/32/1073696732.db2.gz BNKHGNLVOORGQO-KRWDZBQOSA-N 0 3 419.526 1.461 20 0 HDADHN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000673757831 1073696867 /nfs/dbraw/zinc/69/68/67/1073696867.db2.gz HERFFHITTCVVGB-HNNXBMFYSA-N 0 3 407.522 1.989 20 0 HDADHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000673774149 1073707740 /nfs/dbraw/zinc/70/77/40/1073707740.db2.gz SEMYARJJPAXGLY-IBGZPJMESA-N 0 3 415.582 1.845 20 0 HDADHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000673779142 1073735432 /nfs/dbraw/zinc/73/54/32/1073735432.db2.gz XLYAGEVHMCNUPK-YLJYHZDGSA-N 0 3 410.522 1.831 20 0 HDADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C)c3ccncc32)c1 ZINC000509159813 1073787318 /nfs/dbraw/zinc/78/73/18/1073787318.db2.gz BQSUQRKYLBLSPV-UHFFFAOYSA-N 0 3 424.548 1.757 20 0 HDADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000466540860 1073796491 /nfs/dbraw/zinc/79/64/91/1073796491.db2.gz HNOFVQUIQPQVAU-SFHVURJKSA-N 0 3 406.490 1.710 20 0 HDADHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000673848311 1073813943 /nfs/dbraw/zinc/81/39/43/1073813943.db2.gz PVTWSPKQFIWJHV-HNNXBMFYSA-N 0 3 422.327 1.622 20 0 HDADHN NC(=O)c1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)ccc1F ZINC000673875737 1073841720 /nfs/dbraw/zinc/84/17/20/1073841720.db2.gz DSGXYLGPXKXTGI-HNAYVOBHSA-N 0 3 400.454 1.929 20 0 HDADHN Cc1cc(NC(=O)CN[C@@H](CC(N)=O)C2CCOCC2)n(-c2ccc(F)cc2)n1 ZINC000543497710 1073849217 /nfs/dbraw/zinc/84/92/17/1073849217.db2.gz OLCULCMMEQGCBJ-KRWDZBQOSA-N 0 3 403.458 1.519 20 0 HDADHN O=C(NCc1cc2c([nH]c1=O)CCC2)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000673878777 1073849864 /nfs/dbraw/zinc/84/98/64/1073849864.db2.gz OTISUEMTWOIOBE-TZIWHRDSSA-N 0 3 410.518 1.958 20 0 HDADHN CC(C)OCCN1CCC(NC(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000673879577 1073850438 /nfs/dbraw/zinc/85/04/38/1073850438.db2.gz ABSMDRRDXZRHLB-QAPCUYQASA-N 0 3 406.531 1.103 20 0 HDADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N1CCCC1 ZINC001004912384 1073931560 /nfs/dbraw/zinc/93/15/60/1073931560.db2.gz GLPKXIYKCHKXLO-UDFCFZJOSA-N 0 3 405.539 1.160 20 0 HDADHN CNC(=O)[C@@H](NC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)C(C)C ZINC000429177913 1073959295 /nfs/dbraw/zinc/95/92/95/1073959295.db2.gz BROIUUZQIFZBAV-ICSRJNTNSA-N 0 3 416.570 1.396 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1cccnc1N1CCCCC1)CN1CCN(C)CC1 ZINC000509191867 1074026775 /nfs/dbraw/zinc/02/67/75/1074026775.db2.gz MOBYTNGCTDQEEH-KRWDZBQOSA-N 0 3 402.543 1.010 20 0 HDADHN C[C@@H](CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)N1CCC[C@@H](C)C1 ZINC000543534458 1074033336 /nfs/dbraw/zinc/03/33/36/1074033336.db2.gz MWQWDWJLGMEHIA-CVEARBPZSA-N 0 3 401.511 1.387 20 0 HDADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1CN1CCNC1=O ZINC000543535259 1074042246 /nfs/dbraw/zinc/04/22/46/1074042246.db2.gz TYGHVUSEXYHRSU-HZPDHXFCSA-N 0 3 401.511 1.387 20 0 HDADHN CC(C)(CNC(=O)NCCCCN1CCN(Cc2ccccc2)CC1)S(C)(=O)=O ZINC000674030045 1074098639 /nfs/dbraw/zinc/09/86/39/1074098639.db2.gz VQGOUINPBJXWGJ-UHFFFAOYSA-N 0 3 424.611 1.707 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)NCC(C)(C)S(C)(=O)=O)CC1 ZINC000674032230 1074099591 /nfs/dbraw/zinc/09/95/91/1074099591.db2.gz JDHGDMZZRIDOEX-UHFFFAOYSA-N 0 3 410.584 1.447 20 0 HDADHN NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000466614438 1074113067 /nfs/dbraw/zinc/11/30/67/1074113067.db2.gz SEOONUKBPLVWRR-PMACEKPBSA-N 0 3 402.539 1.877 20 0 HDADHN C[C@@H](NCC[S@@](=O)C(C)(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766055889 1074150257 /nfs/dbraw/zinc/15/02/57/1074150257.db2.gz YFZBWUFVANQIKJ-YEBMWUKDSA-N 0 3 424.610 1.610 20 0 HDADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000674157512 1074195071 /nfs/dbraw/zinc/19/50/71/1074195071.db2.gz FVWIUOOSQFXQRW-RTBURBONSA-N 0 3 408.568 1.937 20 0 HDADHN COC1CCN(CCNC(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)CC1 ZINC000674317931 1074266439 /nfs/dbraw/zinc/26/64/39/1074266439.db2.gz RNPWJRRSFDXVAW-UHFFFAOYSA-N 0 3 412.556 1.996 20 0 HDADHN COC1CCN(CCNC(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)CC1 ZINC000674318027 1074266494 /nfs/dbraw/zinc/26/64/94/1074266494.db2.gz ZDSUOXHFAJDWJC-UHFFFAOYSA-N 0 3 410.540 1.767 20 0 HDADHN COC1CCN(CCNC(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000674310242 1074268070 /nfs/dbraw/zinc/26/80/70/1074268070.db2.gz YDONJEOZQNIJQW-UHFFFAOYSA-N 0 3 413.312 1.990 20 0 HDADHN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCCN1CCC(OC)CC1 ZINC000674310987 1074268537 /nfs/dbraw/zinc/26/85/37/1074268537.db2.gz QZAZNRBUHQJORB-IBGZPJMESA-N 0 3 403.523 1.917 20 0 HDADHN COC1CCN(CCNC(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000674325933 1074274899 /nfs/dbraw/zinc/27/48/99/1074274899.db2.gz RGHJSABLMHNDPV-UHFFFAOYSA-N 0 3 403.932 1.235 20 0 HDADHN COc1ccc([C@@H]2[C@@H](C(=O)NCCN3CCC(OC)CC3)CCC(=O)N2C)cc1 ZINC000674325294 1074275845 /nfs/dbraw/zinc/27/58/45/1074275845.db2.gz LDOJXHQDABFSCA-PZJWPPBQSA-N 0 3 403.523 1.832 20 0 HDADHN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1=O ZINC000674433620 1074332537 /nfs/dbraw/zinc/33/25/37/1074332537.db2.gz OOWNNBBYECCFBN-SVMVAKDDSA-N 0 3 413.522 1.671 20 0 HDADHN COc1cnccc1N1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccn2)CC1 ZINC000485094458 1074385558 /nfs/dbraw/zinc/38/55/58/1074385558.db2.gz SOJUNLJDAKVDFU-UHFFFAOYSA-N 0 3 409.368 1.791 20 0 HDADHN COc1ccccc1NC(=O)c1ccc(NC(=O)CCN2C[C@H](O)C[C@H](O)C2)cc1 ZINC000674498091 1074409160 /nfs/dbraw/zinc/40/91/60/1074409160.db2.gz NNRPDGLDLCCCGJ-HDICACEKSA-N 0 3 413.474 1.704 20 0 HDADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ncccc2OCC(F)(F)F)CC1 ZINC000674545829 1074427235 /nfs/dbraw/zinc/42/72/35/1074427235.db2.gz BDPQLQFNMHUEQR-ZDUSSCGKSA-N 0 3 400.401 1.577 20 0 HDADHN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](CN(C)C)c2ccccc2)cc1 ZINC000674593965 1074472887 /nfs/dbraw/zinc/47/28/87/1074472887.db2.gz TXEHYHYCAIAHHS-MGPUTAFESA-N 0 3 417.531 1.975 20 0 HDADHN CCN1C(=O)[C@@H]2CN(C(=O)CCN3CCN(c4cccc(C)c4)CC3)CCN2C1=O ZINC000674594637 1074473231 /nfs/dbraw/zinc/47/32/31/1074473231.db2.gz GGYHDBYHAUZXDM-IBGZPJMESA-N 0 3 413.522 1.002 20 0 HDADHN CN(C)[C@H](CNC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)Cc1ccccc1 ZINC000674609866 1074478796 /nfs/dbraw/zinc/47/87/96/1074478796.db2.gz ZWBIHTMGUUOKDD-WWMYMODYSA-N 0 3 401.511 1.179 20 0 HDADHN C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2cccs2)C(=O)N1c1cnn(C)c1 ZINC000674636949 1074491472 /nfs/dbraw/zinc/49/14/72/1074491472.db2.gz WAGSAOXTWDJALE-PBHICJAKSA-N 0 3 404.540 1.749 20 0 HDADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000674639151 1074499307 /nfs/dbraw/zinc/49/93/07/1074499307.db2.gz PCFKLFUSOSQXAJ-KKSFZXQISA-N 0 3 419.501 1.619 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)CC1 ZINC000509234663 1074523780 /nfs/dbraw/zinc/52/37/80/1074523780.db2.gz OBSGNNTXYVVLAS-MRXNPFEDSA-N 0 3 419.526 1.678 20 0 HDADHN COc1cccc(CCNC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)n1 ZINC000674687959 1074524688 /nfs/dbraw/zinc/52/46/88/1074524688.db2.gz UFBFMWDPHRFEFM-UHFFFAOYSA-N 0 3 406.490 1.940 20 0 HDADHN CS(=O)(=O)N1CCC[C@@H]1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000674715261 1074533494 /nfs/dbraw/zinc/53/34/94/1074533494.db2.gz SSNVRFJETXESPZ-GOSISDBHSA-N 0 3 413.515 1.209 20 0 HDADHN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(CCN(C)C)Cc2ccco2)cc1 ZINC000674857132 1074589693 /nfs/dbraw/zinc/58/96/93/1074589693.db2.gz LGQSXMPDAZYCBJ-HNNXBMFYSA-N 0 3 421.519 1.739 20 0 HDADHN CN1CCN(S(=O)(=O)c2ccccc2CN[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000674882054 1074601173 /nfs/dbraw/zinc/60/11/73/1074601173.db2.gz DBLLXUFTCDFRMY-HXUWFJFHSA-N 0 3 414.575 1.991 20 0 HDADHN CN1CCN(CCCNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)[C@@H](c2ccccc2)C1 ZINC000674916361 1074614097 /nfs/dbraw/zinc/61/40/97/1074614097.db2.gz BWRQYYDVNPGMMO-FSSWDIPSSA-N 0 3 416.566 1.955 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)CC1 ZINC000674917039 1074627280 /nfs/dbraw/zinc/62/72/80/1074627280.db2.gz IFZXDYSZHUAYRN-FCHUYYIVSA-N 0 3 416.566 1.914 20 0 HDADHN Cc1c(C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000674948379 1074634813 /nfs/dbraw/zinc/63/48/13/1074634813.db2.gz TZBSFHGGHQXJMD-UXHICEINSA-N 0 3 411.506 1.584 20 0 HDADHN CN1CCN(Cc2ccc(CNC(=O)N3CCC(OCCCO)CC3)cc2)CC1 ZINC000674971755 1074654843 /nfs/dbraw/zinc/65/48/43/1074654843.db2.gz HXSKPVWNWCAOBG-UHFFFAOYSA-N 0 3 404.555 1.507 20 0 HDADHN COC1CCN(CCNC(=O)NCc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000674990229 1074663683 /nfs/dbraw/zinc/66/36/83/1074663683.db2.gz YBQZZXAPPICPQW-UHFFFAOYSA-N 0 3 401.410 1.927 20 0 HDADHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CN1Cc1ccccc1 ZINC000675106250 1074721444 /nfs/dbraw/zinc/72/14/44/1074721444.db2.gz PNIFNAYLEMCVJX-NDUPCHFUSA-N 0 3 410.522 1.876 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccnc(N3CCCC3)c2)CC1 ZINC000509312133 1074735083 /nfs/dbraw/zinc/73/50/83/1074735083.db2.gz YLINUTXCADWIHJ-UHFFFAOYSA-N 0 3 402.543 1.377 20 0 HDADHN O=C(NCCN1CCC2(CCCCC2)CC1)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000580151656 1074739866 /nfs/dbraw/zinc/73/98/66/1074739866.db2.gz XEIDYVSDISAWFN-UHFFFAOYSA-N 0 3 424.549 2.427 20 0 HDADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)CC1 ZINC000675225002 1074763875 /nfs/dbraw/zinc/76/38/75/1074763875.db2.gz RIHVASGPPGTCLD-GOSISDBHSA-N 0 3 400.458 1.020 20 0 HDADHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001128961220 1074766817 /nfs/dbraw/zinc/76/68/17/1074766817.db2.gz REXWDRWPEQLIQQ-FCEUIQTBSA-N 0 3 401.551 1.847 20 0 HDADHN O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1ccn(CCN2CCOCC2)n1 ZINC000438362350 1074781588 /nfs/dbraw/zinc/78/15/88/1074781588.db2.gz YZXLSARLNQEOJM-KRWDZBQOSA-N 0 3 418.567 2.235 20 0 HDADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675304970 1074792912 /nfs/dbraw/zinc/79/29/12/1074792912.db2.gz VVFYOUOIUOROEH-NVXWUHKLSA-N 0 3 404.898 1.162 20 0 HDADHN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429333372 1074819634 /nfs/dbraw/zinc/81/96/34/1074819634.db2.gz YTAXDWBRRSJGAZ-ROUUACIJSA-N 0 3 411.568 1.358 20 0 HDADHN C[C@@H](CNC(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O)CN1CCN(C)CC1 ZINC000429334979 1075107392 /nfs/dbraw/zinc/10/73/92/1075107392.db2.gz UULNIUGTMOSMOK-FPOVZHCZSA-N 0 3 415.582 1.403 20 0 HDADHN Cc1cc(NC(=O)CSCC(=O)N(CCN(C)C)Cc2cccc(O)c2)no1 ZINC000494770280 1075124593 /nfs/dbraw/zinc/12/45/93/1075124593.db2.gz NSUISHZKBLZUSI-UHFFFAOYSA-N 0 3 406.508 1.951 20 0 HDADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000675403210 1075127195 /nfs/dbraw/zinc/12/71/95/1075127195.db2.gz CARYXPFQRNGJNC-DYVFJYSZSA-N 0 3 424.904 1.691 20 0 HDADHN CN(C)C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)c2ccccc2O1 ZINC000675468996 1075163962 /nfs/dbraw/zinc/16/39/62/1075163962.db2.gz ABERUUPTBBNWCF-OAHLLOKOSA-N 0 3 414.491 1.395 20 0 HDADHN CC(=O)NCc1ccc(S(=O)(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)s1 ZINC000675469145 1075164038 /nfs/dbraw/zinc/16/40/38/1075164038.db2.gz FYJJYDRGTMEVGR-CQSZACIVSA-N 0 3 409.533 1.902 20 0 HDADHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c2ccccc2O1 ZINC000675471025 1075167618 /nfs/dbraw/zinc/16/76/18/1075167618.db2.gz WKQGERONCKWOPJ-ZDUSSCGKSA-N 0 3 403.460 1.535 20 0 HDADHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2O1 ZINC000675472750 1075167916 /nfs/dbraw/zinc/16/79/16/1075167916.db2.gz RSLNLFBNDYIRAB-CQSZACIVSA-N 0 3 410.517 1.608 20 0 HDADHN CC1CCC2(CC1)NC(=O)N(CC(=O)N1C[C@H](CN(C)C)Oc3ccccc31)C2=O ZINC000675491989 1075176056 /nfs/dbraw/zinc/17/60/56/1075176056.db2.gz PLYPECLLUALYNW-BXFSZVDSSA-N 0 3 414.506 1.843 20 0 HDADHN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000675512381 1075190239 /nfs/dbraw/zinc/19/02/39/1075190239.db2.gz NEHNKGRICSQYMW-HOTGVXAUSA-N 0 3 403.504 1.709 20 0 HDADHN CN(C)C[C@@H]1CN(C(=O)CNC(=O)NCc2ccc(F)cc2)c2ccccc2O1 ZINC000675511658 1075191199 /nfs/dbraw/zinc/19/11/99/1075191199.db2.gz QJDZTXBOOUVHDN-QGZVFWFLSA-N 0 3 400.454 1.981 20 0 HDADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000675536943 1075194255 /nfs/dbraw/zinc/19/42/55/1075194255.db2.gz QICWYCWCIKMYQB-OAHLLOKOSA-N 0 3 413.565 1.516 20 0 HDADHN CSc1nc2nc(C)c(CC(=O)NC3CCN([C@@H]4CCOC4)CC3)c(C)n2n1 ZINC000675536693 1075194625 /nfs/dbraw/zinc/19/46/25/1075194625.db2.gz CFRKKFRADJBCPP-OAHLLOKOSA-N 0 3 404.540 1.375 20 0 HDADHN O=C(COc1ccccc1)N1CCC(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000675538126 1075194873 /nfs/dbraw/zinc/19/48/73/1075194873.db2.gz FMCKQVOLIPGXBZ-FQEVSTJZSA-N 0 3 415.534 1.674 20 0 HDADHN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000675541681 1075198126 /nfs/dbraw/zinc/19/81/26/1075198126.db2.gz ZYINOHXIPMKZLY-RBUKOAKNSA-N 0 3 402.474 1.274 20 0 HDADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1 ZINC000675595218 1075232662 /nfs/dbraw/zinc/23/26/62/1075232662.db2.gz KLPGOADGSUNPEH-WOJBJXKFSA-N 0 3 411.506 1.734 20 0 HDADHN CCN1CCN(Cc2ccccc2CNC(=O)Nc2ccc(C(=O)OC)nn2)CC1 ZINC000619628005 1075233223 /nfs/dbraw/zinc/23/32/23/1075233223.db2.gz QMLBHPWCNAIISD-UHFFFAOYSA-N 0 3 412.494 1.722 20 0 HDADHN CCN1CCN(c2ccc(C(=O)Nc3nnc(CCC(=O)OC)s3)cc2)CC1 ZINC000469889015 1075234630 /nfs/dbraw/zinc/23/46/30/1075234630.db2.gz PRHRTZHQAJXJCN-UHFFFAOYSA-N 0 3 403.508 2.038 20 0 HDADHN O=C(Nc1cnn(CC2CC2)c1)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000675598446 1075235375 /nfs/dbraw/zinc/23/53/75/1075235375.db2.gz UYBLSBRZEDUXFH-QUCCMNQESA-N 0 3 411.506 1.231 20 0 HDADHN COC[C@H](C)n1ccc(NC(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)n1 ZINC000443120857 1075245761 /nfs/dbraw/zinc/24/57/61/1075245761.db2.gz PYWMZMYMMYMMIP-KRWDZBQOSA-N 0 3 405.543 2.192 20 0 HDADHN COC(=O)[C@H]1CCN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)[C@H]1C(C)C ZINC000429377250 1075267815 /nfs/dbraw/zinc/26/78/15/1075267815.db2.gz ISMYYAOXDVYMAW-BJLQDIEVSA-N 0 3 402.491 1.632 20 0 HDADHN C[C@@H](NCCN1CCN(S(C)(=O)=O)CC1)c1cc(Br)ccc1F ZINC000675820030 1075277584 /nfs/dbraw/zinc/27/75/84/1075277584.db2.gz WESNLPGKWHUUKM-GFCCVEGCSA-N 0 3 408.337 1.816 20 0 HDADHN COc1ccc2[nH]cc(CCNC(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)c2c1 ZINC000675987802 1075314865 /nfs/dbraw/zinc/31/48/65/1075314865.db2.gz SETAIZVHGBUYCF-FQEVSTJZSA-N 0 3 413.522 1.667 20 0 HDADHN CO[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1Cl ZINC000676004185 1075322407 /nfs/dbraw/zinc/32/24/07/1075322407.db2.gz RMAZOKXARBQCKD-QZTJIDSGSA-N 0 3 408.930 1.976 20 0 HDADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000676020107 1075326034 /nfs/dbraw/zinc/32/60/34/1075326034.db2.gz HQXYPYZXWWZXPI-REWPJTCUSA-N 0 3 414.550 1.856 20 0 HDADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000676022129 1075327442 /nfs/dbraw/zinc/32/74/42/1075327442.db2.gz UHUBNRKECMJTML-SFHVURJKSA-N 0 3 407.559 1.116 20 0 HDADHN CCN1CCN(c2ccc(C(=O)N3CC[C@@H](C(=O)OC)C[C@@H]3C(=O)OC)cc2)CC1 ZINC000509381677 1075355421 /nfs/dbraw/zinc/35/54/21/1075355421.db2.gz WZKPGBPPLOTUBT-IEBWSBKVSA-N 0 3 417.506 1.395 20 0 HDADHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C1 ZINC000731468299 1075358181 /nfs/dbraw/zinc/35/81/81/1075358181.db2.gz FINAWOUJJVCJTP-YLJYHZDGSA-N 0 3 409.465 1.765 20 0 HDADHN COc1ccc(Br)c(CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000676134184 1075393416 /nfs/dbraw/zinc/39/34/16/1075393416.db2.gz KJZXRFVVRWGACU-KRWDZBQOSA-N 0 3 424.339 1.941 20 0 HDADHN CNC(=O)Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000676124392 1075395389 /nfs/dbraw/zinc/39/53/89/1075395389.db2.gz HYYYXSUOSFLYSX-CTNGQTDRSA-N 0 3 410.518 1.980 20 0 HDADHN COc1ccc(Cn2ccc(NC(=O)C(=O)N[C@@H](C)CN3CCC[C@H](C)C3)n2)cc1 ZINC000426674503 1075403972 /nfs/dbraw/zinc/40/39/72/1075403972.db2.gz KDHFDWXSXOVCJR-IRXDYDNUSA-N 0 3 413.522 2.115 20 0 HDADHN CN1CCN(c2ccncc2NC(=O)CCC(=O)N2CCOc3ccccc32)CC1 ZINC000731615619 1075413868 /nfs/dbraw/zinc/41/38/68/1075413868.db2.gz BTAPPERZKIJUKX-UHFFFAOYSA-N 0 3 409.490 1.978 20 0 HDADHN C[C@@]1(n2cc(CN[C@@H](CO)Cc3c[nH]c4ccccc34)cn2)CCS(=O)(=O)C1 ZINC000676199568 1075434484 /nfs/dbraw/zinc/43/44/84/1075434484.db2.gz ILVATBNHFWKHNL-YLJYHZDGSA-N 0 3 402.520 1.591 20 0 HDADHN C[C@H](NC(=O)NCCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CN(C)CCO1 ZINC000676243051 1075444215 /nfs/dbraw/zinc/44/42/15/1075444215.db2.gz GVVAWQQKJJTSNI-RBBKRZOGSA-N 0 3 417.598 1.603 20 0 HDADHN CC(C)NS(=O)(=O)NCCN[C@@H](C)c1ccc(I)cc1 ZINC000429419687 1075491053 /nfs/dbraw/zinc/49/10/53/1075491053.db2.gz ADMZJQDTNOAQNV-NSHDSACASA-N 0 3 411.309 1.774 20 0 HDADHN C[C@H](NC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)[C@H]1CN(C)CCO1 ZINC000676243786 1075445367 /nfs/dbraw/zinc/44/53/67/1075445367.db2.gz XUEYWNNGXSVETF-CEWLAPEOSA-N 0 3 403.571 1.384 20 0 HDADHN Cc1cccc(N2CCN(CCCNC(=O)N[C@@H](C)[C@@H]3CN(C)CCO3)CC2)c1 ZINC000676243650 1075445861 /nfs/dbraw/zinc/44/58/61/1075445861.db2.gz RGSVZQLRGCKOPZ-FPOVZHCZSA-N 0 3 403.571 1.525 20 0 HDADHN COC(=O)[C@H]1CCN(CC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)[C@H]1C(C)C ZINC000429412227 1075463409 /nfs/dbraw/zinc/46/34/09/1075463409.db2.gz YZJOWFXAWTYTAK-UNMCSNQZSA-N 0 3 417.550 1.859 20 0 HDADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000731683660 1075468255 /nfs/dbraw/zinc/46/82/55/1075468255.db2.gz IJDWWFKDPAPEKQ-XLIONFOSSA-N 0 3 422.595 1.630 20 0 HDADHN COC(=O)c1ccsc1N1CC[C@H](N2CCC(N3CCO[C@@H](C)C3)CC2)C1=O ZINC000466726079 1075493882 /nfs/dbraw/zinc/49/38/82/1075493882.db2.gz DMBSZIQIWCCHAU-YOEHRIQHSA-N 0 3 407.536 1.825 20 0 HDADHN CN(C)C(=O)CN1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000676291499 1075496234 /nfs/dbraw/zinc/49/62/34/1075496234.db2.gz WBHMBGHVHNUPHD-UHFFFAOYSA-N 0 3 401.555 1.239 20 0 HDADHN CC1CCN([C@H](CNC(=O)N2CCN(CC(=O)N(C)C)CC2)c2ccccc2)CC1 ZINC000676293538 1075497683 /nfs/dbraw/zinc/49/76/83/1075497683.db2.gz OFKIPCBENMJOKU-OAQYLSRUSA-N 0 3 415.582 1.875 20 0 HDADHN COCCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)c1 ZINC000509404945 1075505649 /nfs/dbraw/zinc/50/56/49/1075505649.db2.gz CGQFYYXNSHQHJK-SFHVURJKSA-N 0 3 409.552 1.702 20 0 HDADHN CC(C)c1ccc(S(=O)(=O)NCCC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000676343362 1075517557 /nfs/dbraw/zinc/51/75/57/1075517557.db2.gz QJFXFDZAYJRYCS-LJQANCHMSA-N 0 3 423.579 1.848 20 0 HDADHN COCCNC(=O)CSc1ccccc1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000676344366 1075518588 /nfs/dbraw/zinc/51/85/88/1075518588.db2.gz BNKAHTVZFPXUBT-KRWDZBQOSA-N 0 3 421.563 1.524 20 0 HDADHN CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000676344420 1075519039 /nfs/dbraw/zinc/51/90/39/1075519039.db2.gz DAFGFIREBPQFHK-IBGZPJMESA-N 0 3 423.579 1.888 20 0 HDADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC2CCN([C@H]3CCOC3)CC2)C(C)C)cc1 ZINC000676345485 1075519452 /nfs/dbraw/zinc/51/94/52/1075519452.db2.gz ORZZENSITFHCMI-ICSRJNTNSA-N 0 3 423.579 1.667 20 0 HDADHN CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2N2CC[NH+](C)CC2)c1 ZINC000731782823 1075524278 /nfs/dbraw/zinc/52/42/78/1075524278.db2.gz ZXBMACBZXAAIQQ-UHFFFAOYSA-N 0 3 424.548 1.147 20 0 HDADHN Cc1nccc(NCc2cccc(C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)c2)n1 ZINC000544558608 1075536510 /nfs/dbraw/zinc/53/65/10/1075536510.db2.gz SIDROGYSORIASE-FQEVSTJZSA-N 0 3 422.533 1.776 20 0 HDADHN CN(C)S(=O)(=O)c1cc(C(=O)N(C)CCCN2CCN(C)CC2)ccc1Cl ZINC000731885558 1075554775 /nfs/dbraw/zinc/55/47/75/1075554775.db2.gz UDKIEBZPXCCTIY-UHFFFAOYSA-N 0 3 416.975 1.300 20 0 HDADHN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000731885309 1075554849 /nfs/dbraw/zinc/55/48/49/1075554849.db2.gz MTOYUHDYGJBYTF-FQEVSTJZSA-N 0 3 415.538 1.280 20 0 HDADHN C[C@@H]1CN(CCC2CCN(C(=O)NCC3(CS(C)(=O)=O)CC3)CC2)C[C@H](C)O1 ZINC000429437767 1075557748 /nfs/dbraw/zinc/55/77/48/1075557748.db2.gz ZPKKCXSYLYXNBB-CALCHBBNSA-N 0 3 415.600 1.732 20 0 HDADHN CC(C)(C)NS(=O)(=O)CC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000676478928 1075565955 /nfs/dbraw/zinc/56/59/55/1075565955.db2.gz NVFVRNFCMRLAES-QGZVFWFLSA-N 0 3 419.551 1.987 20 0 HDADHN COCCN(C(=O)CN1CC[C@H](CC(C)C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000466733188 1075578745 /nfs/dbraw/zinc/57/87/45/1075578745.db2.gz QJMALJNAESJYRQ-MRXNPFEDSA-N 0 3 423.558 1.535 20 0 HDADHN CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676549938 1075597191 /nfs/dbraw/zinc/59/71/91/1075597191.db2.gz GIFGNKYZJCTEQV-UHFFFAOYSA-N 0 3 407.478 1.250 20 0 HDADHN CNC(=O)c1cncc(/C=C\C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)c1 ZINC000732073805 1075605050 /nfs/dbraw/zinc/60/50/50/1075605050.db2.gz MOUXHTDVGNZOGT-HJWRWDBZSA-N 0 3 421.545 1.731 20 0 HDADHN COc1ccc(COC[C@@H](O)CN2CCC[C@@H](c3ccnc(N)n3)C2)cc1OC ZINC000572620115 1075618976 /nfs/dbraw/zinc/61/89/76/1075618976.db2.gz YDPVYFADJBJOCT-SJORKVTESA-N 0 3 402.495 1.833 20 0 HDADHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)CC1=O ZINC000429456778 1075625463 /nfs/dbraw/zinc/62/54/63/1075625463.db2.gz XUPNNHMJEKQMDC-XZEJUNMKSA-N 0 3 400.523 1.178 20 0 HDADHN CCN1CCCC[C@H]1CNC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O ZINC000732138480 1075646780 /nfs/dbraw/zinc/64/67/80/1075646780.db2.gz DCRRIJQEURCXGH-HNNXBMFYSA-N 0 3 409.508 1.082 20 0 HDADHN CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000676733293 1075664618 /nfs/dbraw/zinc/66/46/18/1075664618.db2.gz IPIFZVWFTFPGSE-HNNXBMFYSA-N 0 3 413.515 1.354 20 0 HDADHN Cc1ccc(CNC(=O)C(=O)N(CCN(C)C)CC(C)C)c(-n2cc(Cl)cn2)n1 ZINC000676748655 1075670173 /nfs/dbraw/zinc/67/01/73/1075670173.db2.gz NQAOZUYBQRPVLQ-UHFFFAOYSA-N 0 3 420.945 1.892 20 0 HDADHN COCCN1CCC[C@@H]1CNC(=O)Nc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000732232272 1075685114 /nfs/dbraw/zinc/68/51/14/1075685114.db2.gz HSVRSFJTVRFFRX-HLLBOEOZSA-N 0 3 411.572 1.985 20 0 HDADHN CC(C)(C)n1nnc(CCN2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)n1 ZINC001084993264 1075699621 /nfs/dbraw/zinc/69/96/21/1075699621.db2.gz VOIYJDAUBKSGSF-NRKBZLAMSA-N 0 3 414.554 1.317 20 0 HDADHN C[C@@H]1C[C@@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CN1Cc1ccccc1 ZINC000429257059 1075714722 /nfs/dbraw/zinc/71/47/22/1075714722.db2.gz NBCQDZYWVIXRLA-GDBMZVCRSA-N 0 3 422.489 2.161 20 0 HDADHN O=C(NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000509258035 1075734214 /nfs/dbraw/zinc/73/42/14/1075734214.db2.gz WWESPPRKXIXOAM-JKSUJKDBSA-N 0 3 410.565 1.414 20 0 HDADHN CC(C)N(CCN(C)C)C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509258458 1075739104 /nfs/dbraw/zinc/73/91/04/1075739104.db2.gz ZPEZCTDISZHSCZ-HNNXBMFYSA-N 0 3 402.586 1.740 20 0 HDADHN COC(=O)c1ccc(S(=O)(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)s1 ZINC000543687882 1075740702 /nfs/dbraw/zinc/74/07/02/1075740702.db2.gz VJSBOMKEKNYACC-UHFFFAOYSA-N 0 3 415.581 1.573 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)N[C@@H](c1nccn1C)c1ccccc1OC ZINC000732442023 1075744969 /nfs/dbraw/zinc/74/49/69/1075744969.db2.gz RCZZZUSLELGKQW-QFBILLFUSA-N 0 3 401.511 1.928 20 0 HDADHN Cc1nc2nc(N)nn2c(C)c1CC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000440308926 1075750862 /nfs/dbraw/zinc/75/08/62/1075750862.db2.gz ZUFSLBFHQOSHNE-AWEZNQCLSA-N 0 3 408.510 1.603 20 0 HDADHN COCCN1CCC[C@H]1CNC(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000732463238 1075751228 /nfs/dbraw/zinc/75/12/28/1075751228.db2.gz LGFNFNFXLOSJIC-HKUYNNGSSA-N 0 3 404.511 1.919 20 0 HDADHN O=S1(=O)CC[C@H](N2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)C1 ZINC000509262244 1075754980 /nfs/dbraw/zinc/75/49/80/1075754980.db2.gz GORPMQJUZDCXBS-NRFANRHFSA-N 0 3 406.596 1.003 20 0 HDADHN C[C@@H]1CN(c2cccc(F)c2)CCN1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000429267542 1075756006 /nfs/dbraw/zinc/75/60/06/1075756006.db2.gz MXLSAEPMMGJQRI-GOSISDBHSA-N 0 3 412.513 1.865 20 0 HDADHN CN(CCNC(=O)C1CCN(C(=O)Nc2nncs2)CC1)Cc1ccccc1 ZINC000437696853 1075761168 /nfs/dbraw/zinc/76/11/68/1075761168.db2.gz LSGYFMUPSJLRHN-UHFFFAOYSA-N 0 3 402.524 2.030 20 0 HDADHN COCCN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)CC1 ZINC000142475566 1075780506 /nfs/dbraw/zinc/78/05/06/1075780506.db2.gz VIYXQZNNXQYGHO-UHFFFAOYSA-N 0 3 419.931 1.363 20 0 HDADHN CC(C)N(CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)CC(N)=O ZINC000016419463 1075786984 /nfs/dbraw/zinc/78/69/84/1075786984.db2.gz WDTQVJKWWHYXAY-UHFFFAOYSA-N 0 3 404.920 1.115 20 0 HDADHN CN1CCN(Cc2ccc(CNC(=O)Nc3nc4cc(Cl)ccn4n3)cc2)CC1 ZINC000570368795 1075792160 /nfs/dbraw/zinc/79/21/60/1075792160.db2.gz ANXUNJFOCDGQSC-UHFFFAOYSA-N 0 3 413.913 2.452 20 0 HDADHN CN1CCN(Cc2ccc(CNC(=O)Nc3ccn(CC(F)(F)F)n3)cc2)CC1 ZINC000448304144 1075792216 /nfs/dbraw/zinc/79/22/16/1075792216.db2.gz VYOWCZLRUIEBFZ-UHFFFAOYSA-N 0 3 410.444 2.515 20 0 HDADHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000645615638 1075800375 /nfs/dbraw/zinc/80/03/75/1075800375.db2.gz RAXNKOXUOGIYTC-WFASDCNBSA-N 0 3 418.295 1.736 20 0 HDADHN C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)CN1Cc1ccccc1 ZINC000466709567 1075814779 /nfs/dbraw/zinc/81/47/79/1075814779.db2.gz DWAXOMJIOMMXAM-WMZOPIPTSA-N 0 3 404.474 1.985 20 0 HDADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CC1 ZINC000732656730 1075818170 /nfs/dbraw/zinc/81/81/70/1075818170.db2.gz AHDNHWMEFGZBBL-SFHVURJKSA-N 0 3 406.433 1.224 20 0 HDADHN CCOC(=O)CC[C@@H]1CCCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000611037597 1075818802 /nfs/dbraw/zinc/81/88/02/1075818802.db2.gz XYIVFSWZSSPKDU-KRWDZBQOSA-N 0 3 405.495 1.619 20 0 HDADHN Cc1c(C(=O)NCC[S@](=O)C(C)(C)C)nnn1-c1cccc2c1CCN(C)C2 ZINC000732768411 1075849579 /nfs/dbraw/zinc/84/95/79/1075849579.db2.gz OEBODSKXLIFPGW-NDEPHWFRSA-N 0 3 403.552 1.841 20 0 HDADHN CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000732754681 1075857141 /nfs/dbraw/zinc/85/71/41/1075857141.db2.gz GQNMCUGULIXGFJ-FHWLQOOXSA-N 0 3 405.564 1.446 20 0 HDADHN CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000732754682 1075857160 /nfs/dbraw/zinc/85/71/60/1075857160.db2.gz GQNMCUGULIXGFJ-OTWHNJEPSA-N 0 3 405.564 1.446 20 0 HDADHN CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000732754684 1075857224 /nfs/dbraw/zinc/85/72/24/1075857224.db2.gz GQNMCUGULIXGFJ-QYZOEREBSA-N 0 3 405.564 1.446 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)CN(CC(N)=O)Cc3ccccc3)cc2)CC1 ZINC000732808491 1075883094 /nfs/dbraw/zinc/88/30/94/1075883094.db2.gz VAJVSRHTLGBJOA-UHFFFAOYSA-N 0 3 409.534 1.755 20 0 HDADHN COC(=O)c1ccsc1N1CC[C@@H](N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1=O ZINC000611244229 1075885330 /nfs/dbraw/zinc/88/53/30/1075885330.db2.gz LKDHHZDISZDKQR-HZPDHXFCSA-N 0 3 420.535 1.054 20 0 HDADHN CN1CCC(NC(=S)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CC1 ZINC000732930383 1075918851 /nfs/dbraw/zinc/91/88/51/1075918851.db2.gz NDFWJHDIAPHEEN-IBGZPJMESA-N 0 3 401.580 1.378 20 0 HDADHN Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)ccc1N1C(=O)CCC1=O ZINC000733046197 1075953213 /nfs/dbraw/zinc/95/32/13/1075953213.db2.gz KGXQAQCHPJNMMT-HNNXBMFYSA-N 0 3 400.479 1.578 20 0 HDADHN Cc1cc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@H]2C)ccc1N1C(=O)CCC1=O ZINC000733049612 1075955502 /nfs/dbraw/zinc/95/55/02/1075955502.db2.gz VJSSSUHUSNGEPZ-HZPDHXFCSA-N 0 3 414.506 1.966 20 0 HDADHN CC(C)OC(=O)N1CCC(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000733040436 1075962462 /nfs/dbraw/zinc/96/24/62/1075962462.db2.gz NMQKOMHJNCUQIQ-KRWDZBQOSA-N 0 3 411.547 1.238 20 0 HDADHN CCN1CCN([C@@H](C)CNC(=O)/C(=C\c2cccc(OC)c2)n2nnnc2C)CC1 ZINC000733159857 1075992560 /nfs/dbraw/zinc/99/25/60/1075992560.db2.gz YHGFYCKYFRXVRB-RZKQZQCBSA-N 0 3 413.526 1.130 20 0 HDADHN CCN1CCN(CCNC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)CC1 ZINC000733162880 1075995349 /nfs/dbraw/zinc/99/53/49/1075995349.db2.gz VVUCWFZLLUNEBJ-LVZFUZTISA-N 0 3 421.505 1.685 20 0 HDADHN CCN1CCN(C[C@@H](C)CNC(=O)C2CCN(C(=O)c3cccnc3)CC2)CC1 ZINC000733169613 1075999684 /nfs/dbraw/zinc/99/96/84/1075999684.db2.gz DHHDMZXPASNLKV-SFHVURJKSA-N 0 3 401.555 1.324 20 0 HDADHN CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)CN1CCC[C@H]1C ZINC001081101855 1076001781 /nfs/dbraw/zinc/00/17/81/1076001781.db2.gz RQCJENDGRBZETI-UCTAPSKPSA-N 0 3 403.567 1.981 20 0 HDADHN CCN(CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000733196146 1076002371 /nfs/dbraw/zinc/00/23/71/1076002371.db2.gz HFFYRTWUHNLZTO-SFHVURJKSA-N 0 3 424.611 1.912 20 0 HDADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(Cl)c2ncccc12 ZINC000681173402 1076006534 /nfs/dbraw/zinc/00/65/34/1076006534.db2.gz ZMSZEAWPGFMYRQ-CQSZACIVSA-N 0 3 403.914 1.969 20 0 HDADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(Cl)c2ncccc12 ZINC000681173401 1076006606 /nfs/dbraw/zinc/00/66/06/1076006606.db2.gz ZMSZEAWPGFMYRQ-AWEZNQCLSA-N 0 3 403.914 1.969 20 0 HDADHN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H]3CN(C4CC4)C[C@@H]3C)C2)no1 ZINC000514015420 1076015097 /nfs/dbraw/zinc/01/50/97/1076015097.db2.gz KJHBIAHWGPCUKX-XKQJLSEDSA-N 0 3 404.515 1.247 20 0 HDADHN COc1cccc(CCCN2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H](OC)C2)c1 ZINC001081959421 1076019620 /nfs/dbraw/zinc/01/96/20/1076019620.db2.gz HJYYGJVFHUMLLI-QQEKQYBASA-N 0 3 400.519 1.867 20 0 HDADHN CO[C@@H]1CN(CCCc2ccccc2C)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001081975335 1076022120 /nfs/dbraw/zinc/02/21/20/1076022120.db2.gz ZXICYGVLQURSTM-VNXMGFANSA-N 0 3 402.535 1.795 20 0 HDADHN CC1CCN([C@H](CNC(=S)NCCNS(C)(=O)=O)c2cccs2)CC1 ZINC000727066178 1076037326 /nfs/dbraw/zinc/03/73/26/1076037326.db2.gz HXFOZFDAYDSNEP-CQSZACIVSA-N 0 3 404.627 1.534 20 0 HDADHN O=C(CN1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1)NC1CC1 ZINC000053548457 1076058680 /nfs/dbraw/zinc/05/86/80/1076058680.db2.gz IYBCWVUZFLYMMC-QGZVFWFLSA-N 0 3 405.568 1.491 20 0 HDADHN CC(=O)Nc1cccc(CN[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@H]2C)c1 ZINC001082658653 1076062453 /nfs/dbraw/zinc/06/24/53/1076062453.db2.gz OVPUFUPRTADTLL-FLXYZCAYSA-N 0 3 401.507 1.633 20 0 HDADHN Cc1csc2nc(CN[C@@H]3CN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C[C@H]3C)cc(=O)n12 ZINC001082755098 1076063617 /nfs/dbraw/zinc/06/36/17/1076063617.db2.gz NXFIVYSDIMTXFU-YFTGLANFSA-N 0 3 402.520 1.568 20 0 HDADHN COC(=O)CCc1nc(COC(=O)C2CCN(c3ccc(Cl)cc3)C2=O)no1 ZINC000733463103 1076074652 /nfs/dbraw/zinc/07/46/52/1076074652.db2.gz TUKMVLYLOQXSAR-ZDUSSCGKSA-N 0 3 407.810 1.925 20 0 HDADHN C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC000022057218 1076089674 /nfs/dbraw/zinc/08/96/74/1076089674.db2.gz KFJLWTUVMPMBLO-INIZCTEOSA-N 0 3 423.535 1.023 20 0 HDADHN COCCN(C(C)=O)c1nc(COC(=O)C2CC[C@@H](C(F)(F)F)NC2=O)cs1 ZINC000733821357 1076213994 /nfs/dbraw/zinc/21/39/94/1076213994.db2.gz MIRAATREWRPSBP-NEPJUHHUSA-N 0 3 423.413 1.643 20 0 HDADHN COCCN(C)CCNC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000727749223 1076223684 /nfs/dbraw/zinc/22/36/84/1076223684.db2.gz SEPKHDKRTPBDGE-UHFFFAOYSA-N 0 3 422.345 1.007 20 0 HDADHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727753567 1076225971 /nfs/dbraw/zinc/22/59/71/1076225971.db2.gz WDJPDARSWSRWLW-IEBWSBKVSA-N 0 3 400.504 1.670 20 0 HDADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)CC1=O ZINC000733890170 1076251968 /nfs/dbraw/zinc/25/19/68/1076251968.db2.gz IUXNOAVBVHTOLA-IAGOWNOFSA-N 0 3 410.559 1.502 20 0 HDADHN COC(=O)C1CCN(CCCNC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000727800105 1076258171 /nfs/dbraw/zinc/25/81/71/1076258171.db2.gz DUQJMFQHRGFNGA-AWEZNQCLSA-N 0 3 423.432 1.541 20 0 HDADHN CC(C)N1CCCN(C(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 ZINC000727805983 1076259229 /nfs/dbraw/zinc/25/92/29/1076259229.db2.gz HIUSJOXIAUHWSC-WUQYLLKWSA-N 0 3 412.534 1.732 20 0 HDADHN COCCN1CCC[C@@H]1CNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000727838891 1076266376 /nfs/dbraw/zinc/26/63/76/1076266376.db2.gz SWEBZOZZKMMRIK-CABCVRRESA-N 0 3 404.964 1.405 20 0 HDADHN COCCN(C)CCOc1cccc(CNC(=O)N2CCC3(CC2)OCCO3)c1 ZINC000727846112 1076270216 /nfs/dbraw/zinc/27/02/16/1076270216.db2.gz LCCQTAPTPYZOCO-UHFFFAOYSA-N 0 3 407.511 1.692 20 0 HDADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)CCN2CCCC2=O)CC1 ZINC000727911364 1076282004 /nfs/dbraw/zinc/28/20/04/1076282004.db2.gz OLUGCTHAAYPMQT-UHFFFAOYSA-N 0 3 401.507 1.585 20 0 HDADHN COc1cc(NC(=O)C(=O)N2CCCN(C(C)C)CC2)c(C(=O)N(C)C)cc1OC ZINC000727952504 1076296293 /nfs/dbraw/zinc/29/62/93/1076296293.db2.gz NENLORZVWFQUQK-UHFFFAOYSA-N 0 3 420.510 1.287 20 0 HDADHN Cc1cc(N2CCN(C(=O)CN3CCC[C@@H](C4OCCO4)C3)CC2)nc(C(C)C)n1 ZINC000728053826 1076320312 /nfs/dbraw/zinc/32/03/12/1076320312.db2.gz SXSCQHRBVINDRL-GOSISDBHSA-N 0 3 417.554 1.642 20 0 HDADHN O=C(CN1CCC[C@H](C2OCCO2)C1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000728054673 1076321542 /nfs/dbraw/zinc/32/15/42/1076321542.db2.gz ZAWLJZPWBJORKD-FQEVSTJZSA-N 0 3 415.534 1.351 20 0 HDADHN CN(CCS(C)(=O)=O)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000728130069 1076338954 /nfs/dbraw/zinc/33/89/54/1076338954.db2.gz TUQVSGPBRQORFI-UHFFFAOYSA-N 0 3 410.584 1.270 20 0 HDADHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000027362333 1076359384 /nfs/dbraw/zinc/35/93/84/1076359384.db2.gz HLQLQAQVQHYAJM-CYBMUJFWSA-N 0 3 413.521 1.053 20 0 HDADHN O=C(Nc1ccccc1)NC1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000730125439 1076465367 /nfs/dbraw/zinc/46/53/67/1076465367.db2.gz HUFJXEYXFUSHGL-RBUKOAKNSA-N 0 3 401.511 1.845 20 0 HDADHN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)n(C)c2)C1 ZINC000730216914 1076479187 /nfs/dbraw/zinc/47/91/87/1076479187.db2.gz VZHYRHMWRPDODJ-IXDOHACOSA-N 0 3 424.567 1.039 20 0 HDADHN C[C@H](NC(=O)OC(C)(C)C)C1CCN([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000730265719 1076506928 /nfs/dbraw/zinc/50/69/28/1076506928.db2.gz UPIHBFGQDGUNNW-YQQAZPJKSA-N 0 3 410.559 1.724 20 0 HDADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@@H]3CSCN3C(C)=O)cc2)CC1 ZINC000730305809 1076521397 /nfs/dbraw/zinc/52/13/97/1076521397.db2.gz QJOQIDCNNWADPU-SFHVURJKSA-N 0 3 420.535 1.232 20 0 HDADHN COC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@@H]2CCCN(C)C2)c1 ZINC000731038178 1076716311 /nfs/dbraw/zinc/71/63/11/1076716311.db2.gz CDUBHEMPTUZXMI-NSHDSACASA-N 0 3 405.314 1.856 20 0 HDADHN