smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1COCC2(CCN([C@]3(F)CN(Cc4ccccc4)Cc4c(Cl)nc(Cl)nc43)CC2)N1 ZINC001164422671 718934576 /nfs/dbraw/zinc/93/45/76/718934576.db2.gz ASLOYNUIVKDTAG-JOCHJYFZSA-N 0 0 480.371 2.903 20 0 JFADRN Cc1cccc(CN2C(=O)COC3(CCN(C(F)(F)c4cnc(Cl)cc4C(N)=O)CC3)[C@H]2C)n1 ZINC001164429499 718951001 /nfs/dbraw/zinc/95/10/01/718951001.db2.gz PWTAIFPSCOGRQL-OAHLLOKOSA-N 0 0 493.942 2.869 20 0 JFADRN Cc1cccc(CN2C(=O)COC3(CCN(c4nc(Cl)nc5c4CN(C)CC5)CC3)[C@H]2C)n1 ZINC001164429015 718951564 /nfs/dbraw/zinc/95/15/64/718951564.db2.gz MTQIZPGYEXGPIG-QGZVFWFLSA-N 0 0 471.005 2.608 20 0 JFADRN O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(C(F)(F)c1ccnc(Cl)c1)CCC2 ZINC001164427072 718955379 /nfs/dbraw/zinc/95/53/79/718955379.db2.gz ADBTUDAIBIFUDN-GCJKJVERSA-N 0 0 492.958 2.652 20 0 JFADRN O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(C(F)(F)c1cccc(Cl)n1)CCC2 ZINC001164428943 718955712 /nfs/dbraw/zinc/95/57/12/718955712.db2.gz MIHYZSLWRGQNLS-VGSWGCGISA-N 0 0 492.958 2.652 20 0 JFADRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(S(=O)(=O)CC)c1)C2 ZINC001164433105 718982022 /nfs/dbraw/zinc/98/20/22/718982022.db2.gz JTPXDRMKHXLQAH-RHSMWYFYSA-N 0 0 452.907 2.622 20 0 JFADRN CN(C)C(=O)CN1CC[C@]2(CN([C@H](F)Oc3ccnc(Cl)c3)C[C@H]2c2ccccc2)C1=O ZINC001164629716 719141629 /nfs/dbraw/zinc/14/16/29/719141629.db2.gz CJEYDTHFGAJDIV-OFAXGOBFSA-N 0 0 460.937 2.773 20 0 JFADRN CN(C)C(=O)CN1CC[C@@]2(CN(C(F)(F)c3nccc(Cl)n3)C[C@H]2c2ccccc2)C1=O ZINC001164631048 719141941 /nfs/dbraw/zinc/14/19/41/719141941.db2.gz MTNVJFIABCCHHK-KKSFZXQISA-N 0 0 463.916 2.586 20 0 JFADRN CN(C)C(=O)CN1CC[C@@]2(CN(C(F)(F)c3cnc(Cl)cn3)C[C@@H]2c2ccccc2)C1=O ZINC001164633492 719141988 /nfs/dbraw/zinc/14/19/88/719141988.db2.gz RWFWLCIGADLZID-IERDGZPVSA-N 0 0 463.916 2.586 20 0 JFADRN CN(C)C(=O)CN1CC[C@]2(CN([C@@H](F)Oc3ccnc(Cl)c3)C[C@@H]2c2ccccc2)C1=O ZINC001164629717 719142643 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HTXUWEOZRKNHKA-HNAYVOBHSA-N 0 0 454.909 2.806 20 0 JFADRN Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)Oc2cccc(Cl)n2)C3)nn1 ZINC001164635724 719264602 /nfs/dbraw/zinc/26/46/02/719264602.db2.gz IAZJOXGNFRKBDF-DNVCBOLYSA-N 0 0 455.893 2.982 20 0 JFADRN Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2cc(C)nc(Cl)n2)C3)nn1 ZINC001164637525 719264689 /nfs/dbraw/zinc/26/46/89/719264689.db2.gz LJWWJJGBRGSOFJ-BEFAXECRSA-N 0 0 454.909 2.806 20 0 JFADRN Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(F)(F)Oc2ccnc(Cl)c2)C3)nn1 ZINC001164637555 719266285 /nfs/dbraw/zinc/26/62/85/719266285.db2.gz LLWKWNVKVOINDF-HNAYVOBHSA-N 0 0 455.893 2.982 20 0 JFADRN COCCN1CCN(C)C2(CCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)CC2)C1=O ZINC001164635682 719273668 /nfs/dbraw/zinc/27/36/68/719273668.db2.gz TTWWYRPCPNMRTO-UHFFFAOYSA-N 0 0 453.921 2.588 20 0 JFADRN COCCN1CCN(C)C2(CCN(C(F)(F)c3nc4ccccc4nc3Cl)CC2)C1=O ZINC001164640217 719277129 /nfs/dbraw/zinc/27/71/29/719277129.db2.gz PDFCPUVAGKXCTI-UHFFFAOYSA-N 0 0 453.921 2.588 20 0 JFADRN COCCN1CCN(C)C2(CCN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)CC2)C1=O ZINC001164644446 719283380 /nfs/dbraw/zinc/28/33/80/719283380.db2.gz JSIRTOSNDAORPK-UHFFFAOYSA-N 0 0 478.641 2.893 20 0 JFADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)C[C@@H]2CCCO[C@H]12 ZINC001164656098 719302694 /nfs/dbraw/zinc/30/26/94/719302694.db2.gz WAVTWTQBTQWSFT-KHYOSLBOSA-N 0 0 455.937 2.881 20 0 JFADRN O=C1CCCN1[C@@H]1CN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)C[C@H]2CCCO[C@@H]21 ZINC001164649887 719304957 /nfs/dbraw/zinc/30/49/57/719304957.db2.gz HZJZNWCRYBSEEP-YJLYGGOZSA-N 0 0 497.665 2.618 20 0 JFADRN O=C(Nc1cccnc1Cl)OCC(F)(F)N1C[C@@H]2CCCO[C@@H]2[C@@H](N2CCCC2=O)C1 ZINC001164649819 719305826 /nfs/dbraw/zinc/30/58/26/719305826.db2.gz YNBLFCFJIGMNEB-QRTARXTBSA-N 0 0 458.893 2.978 20 0 JFADRN CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3CCCO[C@H]3[C@@H](N3CCCC3=O)C2)cnc1Cl ZINC001164647512 719306397 /nfs/dbraw/zinc/30/63/97/719306397.db2.gz MXQZIXMNSFKGIW-DHSIGJKJSA-N 0 0 477.961 2.680 20 0 JFADRN CCOC(=O)C1CCN(c2ccc(N3CCc4c(CN(C)C)nn(C(C)C)c4C3)nn2)CC1 ZINC001164647468 719313158 /nfs/dbraw/zinc/31/31/58/719313158.db2.gz BPOILLWZAJZXQO-UHFFFAOYSA-N 0 0 455.607 2.658 20 0 JFADRN CCOC(=O)c1cnc(C(F)(F)N2C[C@@H](NC(=O)c3cnoc3C)[C@@H]3OCCC[C@H]3C2)nc1Cl ZINC001164651063 719318241 /nfs/dbraw/zinc/31/82/41/719318241.db2.gz FNIGEKIDOTZFMC-APHBMKBZSA-N 0 0 499.902 2.562 20 0 JFADRN COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCCO[C@H]3[C@@H](NC(=O)c3cnoc3C)C2)c(Cl)n1 ZINC001164655038 719319261 /nfs/dbraw/zinc/31/92/61/719319261.db2.gz UXRUJLOHTPXCPX-AFAVFJNCSA-N 0 0 484.887 2.777 20 0 JFADRN COc1ccc(C(F)(F)N2C[C@@H](NC(=O)c3cnoc3C)[C@@H]3OCCC[C@H]3C2)c(Cl)n1 ZINC001164649215 719319307 /nfs/dbraw/zinc/31/93/07/719319307.db2.gz ABYZJOHCHDYVQN-XGWLTEMNSA-N 0 0 456.877 2.999 20 0 JFADRN Cc1oncc1C(=O)N[C@@H]1CN(C(F)(F)COc2ccnc(Cl)c2)C[C@H]2CCCO[C@H]21 ZINC001164650513 719319401 /nfs/dbraw/zinc/31/94/01/719319401.db2.gz FCCLREHLHQROAT-MZMPZRCHSA-N 0 0 456.877 2.912 20 0 JFADRN COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCCO[C@@H]3[C@@H](NC(=O)c3cnoc3C)C2)c(Cl)n1 ZINC001164655188 719319427 /nfs/dbraw/zinc/31/94/27/719319427.db2.gz UXRUJLOHTPXCPX-ZLIFDBKOSA-N 0 0 484.887 2.777 20 0 JFADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2CCCO[C@@H]2[C@@H](NC(=O)c2cnoc2C)C1 ZINC001164651323 719319430 /nfs/dbraw/zinc/31/94/30/719319430.db2.gz GSLMEACOUDWAJN-IWEFOYFVSA-N 0 0 484.887 2.777 20 0 JFADRN Cc1oncc1C(=O)N[C@@H]1CN(C(F)(F)COc2ccnc(Cl)c2)C[C@@H]2CCCO[C@@H]12 ZINC001164650510 719319447 /nfs/dbraw/zinc/31/94/47/719319447.db2.gz FCCLREHLHQROAT-FDQGKXFDSA-N 0 0 456.877 2.912 20 0 JFADRN Cc1oncc1C(=O)N[C@@H]1CN(C(F)(F)c2cc(Cl)nc(=S)[nH]2)C[C@@H]2CCCO[C@@H]12 ZINC001164650415 719320030 /nfs/dbraw/zinc/32/00/30/719320030.db2.gz DJLGOWRDVADOLV-JVLSTEMRSA-N 0 0 459.906 2.674 20 0 JFADRN Cc1oncc1C(=O)N[C@@H]1CN(C(F)(F)COc2cccc(Cl)n2)C[C@H]2CCCO[C@@H]21 ZINC001164649287 719320188 /nfs/dbraw/zinc/32/01/88/719320188.db2.gz BWIRXCWMHLFIRC-SIIHOXLZSA-N 0 0 456.877 2.912 20 0 JFADRN Cc1oncc1C(=O)N[C@@H]1CN(C(F)(F)c2nc3ccc(Cl)nc3[nH]2)C[C@H]2CCCO[C@@H]21 ZINC001164650068 719320442 /nfs/dbraw/zinc/32/04/42/719320442.db2.gz CJPCRWTVGFBQAF-XFJVYGCCSA-N 0 0 466.876 2.866 20 0 JFADRN O=C(CC1CC1)N[C@@H]1CN(c2ncnc3c2CCN(Cc2ccccc2)C3)C[C@H]2CCCO[C@H]21 ZINC001164655240 719324756 /nfs/dbraw/zinc/32/47/56/719324756.db2.gz PDODAQMBRGNOPJ-YMVVMYQSSA-N 0 0 461.610 2.935 20 0 JFADRN COC(=O)c1ccc(C(F)(F)N2C[C@@H](NC(=O)CC3CC3)[C@H]3OCCC[C@H]3C2)c(Cl)n1 ZINC001164655355 719324807 /nfs/dbraw/zinc/32/48/07/719324807.db2.gz QDJJSQZIQIGJAL-XCRHUMRWSA-N 0 0 457.905 2.967 20 0 JFADRN CN(C)C(=O)COCc1noc2c1CN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)CC2 ZINC001164661652 719341807 /nfs/dbraw/zinc/34/18/07/719341807.db2.gz MDKXDBYRWLZHMH-UHFFFAOYSA-N 0 0 467.860 2.863 20 0 JFADRN CN(C)C(=O)COCc1noc2c1CN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)CC2 ZINC001164663673 719341988 /nfs/dbraw/zinc/34/19/88/719341988.db2.gz ZXYRKFIWDQEBCT-UHFFFAOYSA-N 0 0 472.905 2.526 20 0 JFADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)N(C)[C@@H](C)C(=O)N3)CC2 ZINC001164660602 719350329 /nfs/dbraw/zinc/35/03/29/719350329.db2.gz VWODLXPCFFSQBZ-SFHVURJKSA-N 0 0 472.597 2.948 20 0 JFADRN CN(C)c1nccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4nccc(Cl)n4)C3)C2)n1 ZINC001164663890 719356528 /nfs/dbraw/zinc/35/65/28/719356528.db2.gz IHAOAFJKGMPDHR-IBGZPJMESA-N 0 0 453.925 2.654 20 0 JFADRN CCn1nnc2c1[C@@H](COC)CN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164662378 719361526 /nfs/dbraw/zinc/36/15/26/719361526.db2.gz BADZNCVAOXWSTD-MRXNPFEDSA-N 0 0 483.642 2.764 20 0 JFADRN C[N@@H+]1CCO[C@@H]2CN(c3nc4ccccc4nc3[N-]S(=O)(=O)c3ccc(Cl)cc3)C[C@H]21 ZINC001164666063 719437551 /nfs/dbraw/zinc/43/75/51/719437551.db2.gz AUXOQAFCXCZDNX-RTBURBONSA-N 0 0 459.959 2.603 20 0 JFADRN O=S(=O)(NC1CC1)c1ccc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc1 ZINC001164670673 719523919 /nfs/dbraw/zinc/52/39/19/719523919.db2.gz DZYBPRROEKUAEZ-UHFFFAOYSA-N 0 0 460.575 2.533 20 0 JFADRN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)C1)N1CCCC1 ZINC001164679122 719544725 /nfs/dbraw/zinc/54/47/25/719544725.db2.gz TXOZXEUONCFTTN-ILXRZTDVSA-N 0 0 453.877 2.936 20 0 JFADRN O=C([C@@H]1C[C@H]2OCC[C@@H]2N(C(F)(F)Cc2nc3c(ncnc3Cl)s2)C1)N1CCCC1 ZINC001164679288 719548666 /nfs/dbraw/zinc/54/86/66/719548666.db2.gz XBDOETSWGPVNQA-FRRDWIJNSA-N 0 0 457.934 2.977 20 0 JFADRN O=C([C@H]1CN(c2ncnc3c2CCN(Cc2ccccc2)C3)CC12CCOCC2)N1CC=CC1 ZINC001164677979 719558732 /nfs/dbraw/zinc/55/87/32/719558732.db2.gz UPYPMCFSYBILJM-HSZRJFAPSA-N 0 0 459.594 2.666 20 0 JFADRN O=C([C@@H]1CN([C@@](F)(COc2cncc(Cl)n2)C(F)F)CC12CCOCC2)N1CC=CC1 ZINC001164676714 719560165 /nfs/dbraw/zinc/56/01/65/719560165.db2.gz FMPZYLFIJGHAQS-XOBRGWDASA-N 0 0 460.884 2.567 20 0 JFADRN c1cn(Cc2noc3c2CN(c2nc(CN4CCOCC4)nc4sc5c(c42)CCC5)CC3)cn1 ZINC001164677989 719566391 /nfs/dbraw/zinc/56/63/91/719566391.db2.gz UQYQXXLIAJTCSK-UHFFFAOYSA-N 0 0 477.594 2.808 20 0 JFADRN C(c1nnc2n1CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)C2)N1CCOCC1 ZINC001164681248 719585890 /nfs/dbraw/zinc/58/58/90/719585890.db2.gz WJFKRTDNQCRJMP-UHFFFAOYSA-N 0 0 494.669 2.610 20 0 JFADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001164680334 719588886 /nfs/dbraw/zinc/58/88/86/719588886.db2.gz MKQSPGZDTGDJHL-UHFFFAOYSA-N 0 0 461.904 2.786 20 0 JFADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001164684585 719592146 /nfs/dbraw/zinc/59/21/46/719592146.db2.gz IEMOBKLFOSWYEU-UHFFFAOYSA-N 0 0 450.877 2.984 20 0 JFADRN COc1ccc(C(F)(F)N2CCC3(CC2)OCC(=O)N(c2cnn(C)c2)[C@H]3C)c(Cl)n1 ZINC001164687357 719689788 /nfs/dbraw/zinc/68/97/88/719689788.db2.gz SAFDWDYKEGPCPG-ZDUSSCGKSA-N 0 0 455.893 2.813 20 0 JFADRN COc1ccc(C(F)(F)N2CCC3(CC2)OCC(=O)N(c2cnn(C)c2)[C@@H]3C)nc1Cl ZINC001164685379 719691045 /nfs/dbraw/zinc/69/10/45/719691045.db2.gz JMWDWAIMRLXJNI-CYBMUJFWSA-N 0 0 455.893 2.813 20 0 JFADRN C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)CC2 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O=C(Cc1coc2c1ccc(Cl)c2Cl)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC001265574492 1059889500 /nfs/dbraw/zinc/88/95/00/1059889500.db2.gz WAYNBFXCWZUFPY-UHFFFAOYSA-N 0 0 458.323 2.944 20 0 JFADRN CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](C)c1nc(-c3ccccc3OC)no1)C2=O ZINC001265589951 1059893394 /nfs/dbraw/zinc/89/33/94/1059893394.db2.gz GGUNMPQVJJKLJM-IJQKHUKSSA-N 0 0 455.515 2.813 20 0 JFADRN COc1cccc(-c2noc([C@H](C)NC(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)n2)c1 ZINC001265605943 1059896516 /nfs/dbraw/zinc/89/65/16/1059896516.db2.gz IDCRTPWYBAZSEF-LFVRLGFBSA-N 0 0 455.515 2.813 20 0 JFADRN Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H]4N3C(=O)OC(C)(C)C)C2=O)n(C)n1 ZINC001265610240 1059898225 /nfs/dbraw/zinc/89/82/25/1059898225.db2.gz MOQSGVHSAXUPNA-OKYOBFRVSA-N 0 0 459.591 2.908 20 0 JFADRN Cn1cc(N2CCN(C(=O)c3cc(COc4ccc(Cl)cc4Cl)on3)CC2=O)cn1 ZINC001265618743 1059899794 /nfs/dbraw/zinc/89/97/94/1059899794.db2.gz WFGGTZNUWLXEKD-UHFFFAOYSA-N 0 0 450.282 2.783 20 0 JFADRN Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC001265622369 1059899894 /nfs/dbraw/zinc/89/98/94/1059899894.db2.gz BSYVIHFYRQADFE-HNNXBMFYSA-N 0 0 453.586 2.992 20 0 JFADRN Cc1ccc(N2CCN(C(=O)[C@@H](C)N3CCN(C(=O)OC(C)(C)C)CC3=O)[C@@H](C)C2)cc1C ZINC001265631270 1059901687 /nfs/dbraw/zinc/90/16/87/1059901687.db2.gz AUPOAFRAMXEPCI-VQTJNVASSA-N 0 0 458.603 2.808 20 0 JFADRN CC(C)(C)OC(=O)N(CC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C[C@H]1CCCO1 ZINC001265635735 1059902346 /nfs/dbraw/zinc/90/23/46/1059902346.db2.gz GFWGCJUDVFOLBG-QZTJIDSGSA-N 0 0 451.951 2.978 20 0 JFADRN CC(C)(C)OC(=O)N(CC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C[C@@H]1CCCO1 ZINC001265635736 1059902409 /nfs/dbraw/zinc/90/24/09/1059902409.db2.gz GFWGCJUDVFOLBG-ROUUACIJSA-N 0 0 451.951 2.978 20 0 JFADRN O=C(COc1ccccc1NC(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21)N1CCOCC1 ZINC001265640135 1059903530 /nfs/dbraw/zinc/90/35/30/1059903530.db2.gz TZYCAEHYXCCTFJ-CQSZACIVSA-N 0 0 452.433 2.656 20 0 JFADRN CC(=O)N1Cc2ccc(NC(=O)[C@@H](C)N3C(=O)c4ccc(Br)cc4C3=O)cc2C1 ZINC001265670264 1059907667 /nfs/dbraw/zinc/90/76/67/1059907667.db2.gz WIOYKQMXPRCMID-LLVKDONJSA-N 0 0 456.296 2.934 20 0 JFADRN O=C(CSc1ccc2c(c1)OCCO2)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC001265678954 1059908802 /nfs/dbraw/zinc/90/88/02/1059908802.db2.gz FKBVYEXXVUKRKK-INIZCTEOSA-N 0 0 451.541 2.905 20 0 JFADRN CCN1CCN(C(=O)Cc2ccc(NC(=O)[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)CC1 ZINC001265681251 1059909900 /nfs/dbraw/zinc/90/99/00/1059909900.db2.gz LTGCBBDMFPKVOB-GOSISDBHSA-N 0 0 457.596 2.539 20 0 JFADRN CCc1ccc(C(=O)Nc2cc3c(cc2Br)NC(=O)CO3)cc1S(C)(=O)=O ZINC001265688796 1059911230 /nfs/dbraw/zinc/91/12/30/1059911230.db2.gz DXJLCNBLRLZQND-UHFFFAOYSA-N 0 0 453.314 2.998 20 0 JFADRN CCOC(=O)c1cc(NC(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)cc(S(C)(=O)=O)c1 ZINC001265704171 1059912480 /nfs/dbraw/zinc/91/24/80/1059912480.db2.gz AEOAZJJWEFFYBK-AWEZNQCLSA-N 0 0 459.446 2.998 20 0 JFADRN C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 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BYCWDRVANZQHPF-GOSISDBHSA-N 0 0 450.532 2.742 20 0 JFADRN COc1cc(NC(=O)CN(C)C(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)cc(OC)c1 ZINC001265715699 1059915908 /nfs/dbraw/zinc/91/59/08/1059915908.db2.gz VLACWDYBTCULKN-UHFFFAOYSA-N 0 0 452.511 2.901 20 0 JFADRN COC(=O)c1sc(NC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)nc1C(C)(C)C ZINC001265743961 1059919722 /nfs/dbraw/zinc/91/97/22/1059919722.db2.gz MCHMQCZXLCSSOR-UHFFFAOYSA-N 0 0 458.540 2.505 20 0 JFADRN O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC001265744983 1059920392 /nfs/dbraw/zinc/92/03/92/1059920392.db2.gz BWCCIVIXFJQKQA-ZIAGYGMSSA-N 0 0 452.470 2.945 20 0 JFADRN CCc1ccc(S(C)(=O)=O)cc1C(=O)NCc1csc(CNC(=O)c2ccccc2)n1 ZINC001265755942 1059921707 /nfs/dbraw/zinc/92/17/07/1059921707.db2.gz PMCSOASHYGVPJN-UHFFFAOYSA-N 0 0 457.577 2.969 20 0 JFADRN C[C@@H](Sc1ccccc1C(=O)NCc1csc(CNC(=O)c2ccccc2)n1)C(N)=O ZINC001265755821 1059921867 /nfs/dbraw/zinc/92/18/67/1059921867.db2.gz KKQSXSUZZWHLIO-CQSZACIVSA-N 0 0 454.577 2.969 20 0 JFADRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC001265772142 1059922972 /nfs/dbraw/zinc/92/29/72/1059922972.db2.gz QGYDGOLCBUMMGD-MRXNPFEDSA-N 0 0 452.573 2.632 20 0 JFADRN CC[C@H](CNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1)Oc1cccc(C(F)(F)F)c1 ZINC001265778531 1059923482 /nfs/dbraw/zinc/92/34/82/1059923482.db2.gz MOOVOBNZRQEZAM-AHRSYUTCSA-N 0 0 451.445 2.973 20 0 JFADRN Cc1cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)n(-c2ccc(C)nn2)n1 ZINC001265784330 1059924700 /nfs/dbraw/zinc/92/47/00/1059924700.db2.gz REFHSUFKJAYSEB-MRXNPFEDSA-N 0 0 453.890 2.776 20 0 JFADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)C3CCC(NC(=O)C4CCCC4)CC3)C2=O)c1 ZINC001265787248 1059924752 /nfs/dbraw/zinc/92/47/52/1059924752.db2.gz HMQCQKZTNYZPPY-IRZJEQJZSA-N 0 0 457.571 2.791 20 0 JFADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@H](NC(=O)c3ccc(C)cc3)C(C)C)C2=O)c1 ZINC001265787072 1059924824 /nfs/dbraw/zinc/92/48/24/1059924824.db2.gz BGIHPUNLUCXTKR-FGZHOGPDSA-N 0 0 453.539 2.688 20 0 JFADRN COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)CCN3C(=O)CCc4ccccc43)C2=O)c1 ZINC001265787668 1059925693 /nfs/dbraw/zinc/92/56/93/1059925693.db2.gz UENXBYONUIUEHD-QFIPXVFZSA-N 0 0 451.523 2.637 20 0 JFADRN C[C@H](NC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O)c1nc(Cc2ccccc2)no1 ZINC001265800204 1059928632 /nfs/dbraw/zinc/92/86/32/1059928632.db2.gz XFGDTVQDEPASEF-JRLRZGBRSA-N 0 0 453.543 2.974 20 0 JFADRN COc1cc(CN2CCN(C(=O)c3cnc(NC(=O)OC(C)(C)C)cn3)CC2)cc(OC)c1 ZINC001265812548 1059930184 /nfs/dbraw/zinc/93/01/84/1059930184.db2.gz ZGDMMRDQDBTXDP-UHFFFAOYSA-N 0 0 457.531 2.799 20 0 JFADRN CCOC(=O)CN(C(=O)[C@H](C)S(=O)(=O)C1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC001265820910 1059930656 /nfs/dbraw/zinc/93/06/56/1059930656.db2.gz XEPGHFRYCXLBGH-LBPRGKRZSA-N 0 0 452.356 2.872 20 0 JFADRN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCOc2ccc(C(F)(F)F)cc21 ZINC001265830766 1059931534 /nfs/dbraw/zinc/93/15/34/1059931534.db2.gz FOKUQUZIKUXLHW-UHFFFAOYSA-N 0 0 456.442 2.766 20 0 JFADRN O=C(c1cccc(CN2CCS(=O)(=O)CC2)c1)N1CCOc2ccc(C(F)(F)F)cc21 ZINC001265831163 1059931556 /nfs/dbraw/zinc/93/15/56/1059931556.db2.gz SEBFGNFDPHUIGI-UHFFFAOYSA-N 0 0 454.470 2.975 20 0 JFADRN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@@H]43)ccc2Cl)C[C@@H](C)O1 ZINC001265831224 1059931601 /nfs/dbraw/zinc/93/16/01/1059931601.db2.gz VLILUJSHIMPHLI-NAHQNRHBSA-N 0 0 456.992 2.825 20 0 JFADRN CC[C@@H](CNC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)Oc1cccc(Cl)c1 ZINC001265836428 1059932631 /nfs/dbraw/zinc/93/26/31/1059932631.db2.gz IYNBLKNPTRAQDM-KRWDZBQOSA-N 0 0 452.960 2.789 20 0 JFADRN CC[C@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001265837636 1059934283 /nfs/dbraw/zinc/93/42/83/1059934283.db2.gz ZSUQFSATLAYUDO-GMAHTHKFSA-N 0 0 450.514 2.781 20 0 JFADRN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC001265868937 1059936995 /nfs/dbraw/zinc/93/69/95/1059936995.db2.gz YGEVDXSKXVXEBR-CLOONOSVSA-N 0 0 450.539 2.719 20 0 JFADRN CS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cn(-c3cccc(C(F)(F)F)c3)nn1)CCO2 ZINC001265873974 1059937367 /nfs/dbraw/zinc/93/73/67/1059937367.db2.gz HZUHXCGNDUIGFB-UHFFFAOYSA-N 0 0 452.414 2.729 20 0 JFADRN O=C(CN1CCN(C(=O)CN2CCc3ccccc32)CC1)Nc1ccc(Br)cc1 ZINC001265876838 1059938561 /nfs/dbraw/zinc/93/85/61/1059938561.db2.gz OKCSBWKAKAGQCP-UHFFFAOYSA-N 0 0 457.372 2.595 20 0 JFADRN CO[C@]1(C)CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)C1 ZINC001299747184 1059941811 /nfs/dbraw/zinc/94/18/11/1059941811.db2.gz HZEJDLKXTZWRSU-HTAPYJJXSA-N 0 0 481.594 2.598 20 0 JFADRN Cc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)c(OC[C@H]2CCOC2)c1 ZINC001265904315 1059942410 /nfs/dbraw/zinc/94/24/10/1059942410.db2.gz RYXCFQXGRIAMMS-SIKLNZKXSA-N 0 0 458.580 2.880 20 0 JFADRN CC(C)(C)OC(=O)[C@H]1CC(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)=NN1c1ccccc1 ZINC001265905972 1059943086 /nfs/dbraw/zinc/94/30/86/1059943086.db2.gz LPPWOSHRTFZYTF-LJQANCHMSA-N 0 0 455.536 2.932 20 0 JFADRN COc1ccc(-n2cc(CNC(=O)/C=C\c3ccc(I)o3)nn2)cc1 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CC(=O)N1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2ccn(C)n2)[C@H](C)C1 ZINC001286878228 1061297066 /nfs/dbraw/zinc/29/70/66/1061297066.db2.gz WPJBPSFZSOWRRO-OAHLLOKOSA-N 0 0 472.391 2.741 20 0 JFADRN Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(Cc2cccc(F)c2)C(C)C)c(=O)n1C ZINC001289681637 1061297411 /nfs/dbraw/zinc/29/74/11/1061297411.db2.gz WIILIYWCXOYNBZ-FQEVSTJZSA-N 0 0 487.601 2.790 20 0 JFADRN Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(Cc2cccc(F)c2)C(C)C)c(=O)n1C ZINC001289681638 1061297472 /nfs/dbraw/zinc/29/74/72/1061297472.db2.gz WIILIYWCXOYNBZ-HXUWFJFHSA-N 0 0 487.601 2.790 20 0 JFADRN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1CC[C@H](Cc2nccs2)C1 ZINC001289682848 1061298016 /nfs/dbraw/zinc/29/80/16/1061298016.db2.gz KFEOTJCWOKSYON-CQSZACIVSA-N 0 0 455.989 2.522 20 0 JFADRN Cc1ccc(Cn2c(CC(C)C)nnc2N(C)CCN2CCOCC2)c(O[C@@H]2CCOC2)c1 ZINC001289682942 1061298401 /nfs/dbraw/zinc/29/84/01/1061298401.db2.gz BIPXFPBTEGEUKU-JOCHJYFZSA-N 0 0 457.619 2.769 20 0 JFADRN 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CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(COC(C)(C)C)c2)[C@@H](C)C1 ZINC001286884001 1061316853 /nfs/dbraw/zinc/31/68/53/1061316853.db2.gz AVNMOXLSAOEBET-IBGZPJMESA-N 0 0 482.629 2.821 20 0 JFADRN Cc1ccc(F)c(CN(C)c2nnc(CC3CCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 ZINC001289706725 1061317523 /nfs/dbraw/zinc/31/75/23/1061317523.db2.gz BQXBGCWUTPKPCW-QFIPXVFZSA-N 0 0 450.580 2.644 20 0 JFADRN CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2CCCc2c[nH]nc2C)[C@H](C)C1 ZINC001286884253 1061317918 /nfs/dbraw/zinc/31/79/18/1061317918.db2.gz RLAZYKFZCYPPIW-GOSISDBHSA-N 0 0 451.575 2.887 20 0 JFADRN CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(C(=O)N(C)C)CCCC2)[C@@H](C)C1 ZINC001286884307 1061318346 /nfs/dbraw/zinc/31/83/46/1061318346.db2.gz STWDDJGZMWVBNM-FQEVSTJZSA-N 0 0 482.629 2.871 20 0 JFADRN Cc1c(C(=O)NCCc2nc(Cc3ccccc3)no2)nnn1CCOc1ccc(F)cc1 ZINC001289707743 1061318283 /nfs/dbraw/zinc/31/82/83/1061318283.db2.gz QGLKCKMEJHCNCI-UHFFFAOYSA-N 0 0 450.474 2.751 20 0 JFADRN 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NHOXBRHMPILXQV-AREMUKBSSA-N 0 0 498.628 2.612 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(CC(C)C)C(C)C)cc1 ZINC001286893330 1061369269 /nfs/dbraw/zinc/36/92/69/1061369269.db2.gz CMDIFNVAQQBCCB-INIZCTEOSA-N 0 0 450.609 2.766 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cc(C)cs2)cn1 ZINC001286893574 1061369647 /nfs/dbraw/zinc/36/96/47/1061369647.db2.gz QCGRLBJBGYAKRM-UHFFFAOYSA-N 0 0 453.572 2.922 20 0 JFADRN CC(=O)Nc1ccc(CCn2c(CN3CCCC3=O)nnc2N(C)Cc2cc(C)on2)cc1 ZINC001286893577 1061369752 /nfs/dbraw/zinc/36/97/52/1061369752.db2.gz QDHCQOQNPAWXIE-UHFFFAOYSA-N 0 0 451.531 2.534 20 0 JFADRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H]3COCCO3)C2)nc1 ZINC001289749051 1061370228 /nfs/dbraw/zinc/37/02/28/1061370228.db2.gz XZVMGKAWMVZZGP-MOPGFXCFSA-N 0 0 456.591 2.841 20 0 JFADRN COC(=O)c1ccc(C)c2c1CCCN2C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001289749813 1061370600 /nfs/dbraw/zinc/37/06/00/1061370600.db2.gz DFUPCZOHOQPWHP-INIZCTEOSA-N 0 0 459.543 2.529 20 0 JFADRN Cc1ccc(NC(=O)C2CCN(c3nnc(CC(C)C)n3C[C@]3(O)CCO[C@@H]3C)CC2)nc1 ZINC001289750075 1061370968 /nfs/dbraw/zinc/37/09/68/1061370968.db2.gz CXPPEXMZJVQZJG-HOYKHHGWSA-N 0 0 456.591 2.575 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](CC(C)C)C2)cc1 ZINC001286894124 1061371501 /nfs/dbraw/zinc/37/15/01/1061371501.db2.gz MNJLPFOAZHDKAR-VQIMIIECSA-N 0 0 462.620 2.767 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)c2ccccn2)cc1 ZINC001289750742 1061372584 /nfs/dbraw/zinc/37/25/84/1061372584.db2.gz KRJJHBSQQNWVAW-SFHVURJKSA-N 0 0 499.641 2.644 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(Cl)c2)cn1 ZINC001286894605 1061372835 /nfs/dbraw/zinc/37/28/35/1061372835.db2.gz GWKXZJFTJRTGRY-SFHVURJKSA-N 0 0 489.001 2.872 20 0 JFADRN Cc1ncc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC(=O)Nc2ccc(C)cc2)s1 ZINC001289751130 1061373118 /nfs/dbraw/zinc/37/31/18/1061373118.db2.gz QGLUZHLGUDKEKN-UHFFFAOYSA-N 0 0 453.572 2.711 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@H](C(N)=O)C2)cn1 ZINC001286894874 1061373287 /nfs/dbraw/zinc/37/32/87/1061373287.db2.gz YGDFEYHZDCYCNR-QAPCUYQASA-N 0 0 481.532 2.661 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC=C(Br)C2)cc1 ZINC001286894933 1061373742 /nfs/dbraw/zinc/37/37/42/1061373742.db2.gz LETAJBZYDRROOM-MRXNPFEDSA-N 0 0 494.415 2.676 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC=CCC2)cn1 ZINC001286894954 1061373824 /nfs/dbraw/zinc/37/38/24/1061373824.db2.gz LRTPSQROSHVVQL-IBGZPJMESA-N 0 0 483.573 2.755 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)cc1 ZINC001286895217 1061374239 /nfs/dbraw/zinc/37/42/39/1061374239.db2.gz PPHPTFWJOCHYTC-DVECYGJZSA-N 0 0 495.672 2.862 20 0 JFADRN Cc1ccc(-c2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2C[C@H](C)N2CCOCC2)o1 ZINC001289753103 1061374896 /nfs/dbraw/zinc/37/48/96/1061374896.db2.gz JJLDZNFKGZGKFJ-SFHVURJKSA-N 0 0 452.559 2.951 20 0 JFADRN 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CC(=O)Nc1ccc(Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](C(N)=O)C2)cn1 ZINC001286896468 1061379448 /nfs/dbraw/zinc/37/94/48/1061379448.db2.gz CAFAYENDBQJDKU-INIZCTEOSA-N 0 0 453.934 2.702 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC001289758661 1061380589 /nfs/dbraw/zinc/38/05/89/1061380589.db2.gz DOQDPRZNKRQVJW-UYAOXDASSA-N 0 0 483.617 2.635 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C(N)=O)CC2)cn1 ZINC001286897016 1061380569 /nfs/dbraw/zinc/38/05/69/1061380569.db2.gz IFNFQUUOXKMPKI-UHFFFAOYSA-N 0 0 471.924 2.841 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)c1 ZINC001286896967 1061380933 /nfs/dbraw/zinc/38/09/33/1061380933.db2.gz JKUDNMLJEQGQHA-FQEVSTJZSA-N 0 0 492.628 2.840 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(CC(C)C)nnc2N2CCCN(Cc3noc(C)n3)CC2)c1 ZINC001286897096 1061381441 /nfs/dbraw/zinc/38/14/41/1061381441.db2.gz LRILUGPUXUVAQO-UHFFFAOYSA-N 0 0 466.590 2.887 20 0 JFADRN 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CC(=O)Nc1ccc(Cn2c(CC3CCCC3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cn1 ZINC001286897285 1061382169 /nfs/dbraw/zinc/38/21/69/1061382169.db2.gz RMSRELXKCKBNHN-HOTGVXAUSA-N 0 0 462.620 2.670 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)cc1 ZINC001289760144 1061382413 /nfs/dbraw/zinc/38/24/13/1061382413.db2.gz RWCFYXLCPWMNME-VQTJNVASSA-N 0 0 470.618 2.885 20 0 JFADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc([C@@H]4CCC(=O)N4)n3CCC(C)(C)O)C2)cc1 ZINC001289761474 1061383879 /nfs/dbraw/zinc/38/38/79/1061383879.db2.gz ZWHCDKBOQAXQJX-ICSRJNTNSA-N 0 0 483.617 2.737 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCN(C)C(=O)[C@H]2C)c1 ZINC001286898018 1061384440 /nfs/dbraw/zinc/38/44/40/1061384440.db2.gz VLNAAUDJQFYISP-MAODMQOUSA-N 0 0 468.602 2.870 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)c1 ZINC001286898016 1061384462 /nfs/dbraw/zinc/38/44/62/1061384462.db2.gz VLICTGXKBGNPHN-FQEVSTJZSA-N 0 0 481.626 2.945 20 0 JFADRN 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CC(=O)Nc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)c2nccs2)c1 ZINC001286899296 1061388088 /nfs/dbraw/zinc/38/80/88/1061388088.db2.gz QQCYHZHABWKQLY-KBXCAEBGSA-N 0 0 453.572 2.932 20 0 JFADRN Cc1ccc(OC2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCc3cccnc3)CC2)cc1 ZINC001289768054 1061388277 /nfs/dbraw/zinc/38/82/77/1061388277.db2.gz GMQDYAZYCAUUNO-IBGZPJMESA-N 0 0 484.626 2.882 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](CC(N)=O)C2)cn1 ZINC001286899183 1061388167 /nfs/dbraw/zinc/38/81/67/1061388167.db2.gz MMMJHQCYTNKYRZ-SFGWALBWSA-N 0 0 483.617 2.690 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(NS(C)(=O)=O)CC2)c1 ZINC001289767584 1061388309 /nfs/dbraw/zinc/38/83/09/1061388309.db2.gz OCKORRVISNUZKY-MRXNPFEDSA-N 0 0 499.584 2.648 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c(CC(C)C)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)c1 ZINC001289768104 1061388331 /nfs/dbraw/zinc/38/83/31/1061388331.db2.gz PWMGAMTWDUJYET-UHFFFAOYSA-N 0 0 476.528 2.955 20 0 JFADRN 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CC(=O)Nc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)c1 ZINC001286899634 1061389918 /nfs/dbraw/zinc/38/99/18/1061389918.db2.gz YOKNHVCSPCUYQN-CRAIPNDOSA-N 0 0 466.508 2.862 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(N(C)[C@H]3CCSC3)nnc2[C@]2(OC(C)C)CCOC2)cn1 ZINC001286899872 1061390913 /nfs/dbraw/zinc/39/09/13/1061390913.db2.gz XRWZYUQYLHVUKS-AVRDEDQJSA-N 0 0 460.604 2.662 20 0 JFADRN Cc1ccc(OC2CCN(c3nnc(C(=O)NC(C)C)n3CCc3ccn(C)n3)CC2)cc1 ZINC001289769893 1061391571 /nfs/dbraw/zinc/39/15/71/1061391571.db2.gz XVAUOQRKUMBXCJ-UHFFFAOYSA-N 0 0 451.575 2.749 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3cnccn3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC001286900422 1061391760 /nfs/dbraw/zinc/39/17/60/1061391760.db2.gz FQQDIKCRBINKGV-UHFFFAOYSA-N 0 0 491.600 2.760 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccccc2Cl)CC1 ZINC001286900737 1061392886 /nfs/dbraw/zinc/39/28/86/1061392886.db2.gz KAFOTRSGLRACFN-ZTQRKLKCSA-N 0 0 489.020 2.674 20 0 JFADRN 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Cc1ccc(OCc2nnc(N3CCO[C@@]4(CCO[C@@H]4C)C3)n2CCNC(=O)C(C)C)cc1C ZINC001289831651 1061507943 /nfs/dbraw/zinc/50/79/43/1061507943.db2.gz LMFRQGVVNCNMSE-NLFFAJNJSA-N 0 0 471.602 2.630 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCOC[C@H]3C)n2CC[C@H](C(F)F)N2CCOCC2)cc1 ZINC001289832674 1061508705 /nfs/dbraw/zinc/50/87/05/1061508705.db2.gz ZIEUEXLEONNLCB-UYAOXDASSA-N 0 0 465.545 2.747 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCS[C@H](C)[C@@H]3C)n2CC2(C(N)=O)CCOCC2)cc1 ZINC001289833834 1061510303 /nfs/dbraw/zinc/51/03/03/1061510303.db2.gz KMYHEICUIDVRDB-ZWKOTPCHSA-N 0 0 459.616 2.778 20 0 JFADRN Cc1ccc(OCc2nnc(N3C[C@H]4OCO[C@H]4C3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC001289834510 1061511680 /nfs/dbraw/zinc/51/16/80/1061511680.db2.gz CHUVXGVVJMYILM-YSIASYRMSA-N 0 0 473.574 2.888 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCO[C@@H]2C(C)C)cc1C ZINC001289834573 1061511794 /nfs/dbraw/zinc/51/17/94/1061511794.db2.gz XZHQWJLDYKCOJQ-SIKLNZKXSA-N 0 0 462.616 2.770 20 0 JFADRN CC(=O)NC1CCN(c2nnc(Cn3ccc4ccccc43)n2CCSCCCO)CC1 ZINC001286919989 1061512170 /nfs/dbraw/zinc/51/21/70/1061512170.db2.gz OLYWLXSYSWQFRS-UHFFFAOYSA-N 0 0 456.616 2.502 20 0 JFADRN Cc1ccc(OCCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccon2)cc1 ZINC001289837141 1061513189 /nfs/dbraw/zinc/51/31/89/1061513189.db2.gz ABXHTDAVERXXKE-GOSISDBHSA-N 0 0 459.572 2.972 20 0 JFADRN Cc1ccc(OCCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC001289840727 1061515861 /nfs/dbraw/zinc/51/58/61/1061515861.db2.gz CDEFQCWELODCIZ-UHFFFAOYSA-N 0 0 496.656 2.915 20 0 JFADRN Cc1ccc(OCCN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C)n(C)c2=O)cc1 ZINC001289840760 1061515904 /nfs/dbraw/zinc/51/59/04/1061515904.db2.gz DHAIIGHFJZLUGU-UHFFFAOYSA-N 0 0 487.564 2.804 20 0 JFADRN Cc1ccc(OCCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)CC2)cc1 ZINC001289840977 1061516348 /nfs/dbraw/zinc/51/63/48/1061516348.db2.gz HDUUXPCIRPOGAT-NRFANRHFSA-N 0 0 477.631 2.625 20 0 JFADRN Cc1ccc(OCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](COC(C)C)C2)cc1 ZINC001289841264 1061516803 /nfs/dbraw/zinc/51/68/03/1061516803.db2.gz LTJAZXGTFMWSPP-RBBKRZOGSA-N 0 0 492.642 2.588 20 0 JFADRN Cc1ccc(OCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCSC(C)(C)C2)cc1 ZINC001289842609 1061517853 /nfs/dbraw/zinc/51/78/53/1061517853.db2.gz UALWLXFJMQGDSA-KRWDZBQOSA-N 0 0 467.661 2.998 20 0 JFADRN Cc1oc(C(=O)Nc2nccc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1S(C)(=O)=O ZINC001289842645 1061517875 /nfs/dbraw/zinc/51/78/75/1061517875.db2.gz HLFWYQRJJOQZHO-ZDUSSCGKSA-N 0 0 450.517 2.758 20 0 JFADRN CC(C)(C)OC(=O)N1CC[C@@H](c2ccnc(NC(=O)CN3CCc4ccccc4C3=O)n2)C1 ZINC001289844896 1061518754 /nfs/dbraw/zinc/51/87/54/1061518754.db2.gz YFONYBGTFAMOIR-QGZVFWFLSA-N 0 0 451.527 2.838 20 0 JFADRN Cc1cc(C(=O)Nc2ccc(Br)c(Cl)c2F)nc2c1c(=O)n(C)c(=O)n2C ZINC001289844778 1061518835 /nfs/dbraw/zinc/51/88/35/1061518835.db2.gz WDQTTYWWVBOWMD-UHFFFAOYSA-N 0 0 455.671 2.748 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCOC2)C1 ZINC001286922097 1061520248 /nfs/dbraw/zinc/52/02/48/1061520248.db2.gz QEYWGPZVOVDWHR-PMACEKPBSA-N 0 0 454.575 2.536 20 0 JFADRN CC(=O)NC1CCN(c2nnc(COc3ccccc3F)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001286922129 1061520862 /nfs/dbraw/zinc/52/08/62/1061520862.db2.gz QUOTVENIEYJQMT-HSZRJFAPSA-N 0 0 457.506 2.602 20 0 JFADRN Cc1ccc(OCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(O)(C(F)(F)F)CC2)cc1 ZINC001289848433 1061521410 /nfs/dbraw/zinc/52/14/10/1061521410.db2.gz GBIHNOYJJFVVMV-MRXNPFEDSA-N 0 0 453.465 2.510 20 0 JFADRN Cc1ccc(OCCn2c(C(=O)NC(C)C)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001289848281 1061521427 /nfs/dbraw/zinc/52/14/27/1061521427.db2.gz FARKLEZQZVIIKL-SFHVURJKSA-N 0 0 472.590 2.907 20 0 JFADRN Cc1ccc(OCCn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC001289848662 1061521981 /nfs/dbraw/zinc/52/19/81/1061521981.db2.gz IGWLHNSNNGBTMQ-HXUWFJFHSA-N 0 0 484.626 2.802 20 0 JFADRN Cc1ccc(OCCN(C)c2nnc(CN3CCCC3=O)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001289850241 1061523327 /nfs/dbraw/zinc/52/33/27/1061523327.db2.gz YMVKPJZSGVMUJM-JGCGQSQUSA-N 0 0 461.632 2.771 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@](C)(O)C(C)C)C1 ZINC001286922817 1061524179 /nfs/dbraw/zinc/52/41/79/1061524179.db2.gz WARFOTNRAWJXEY-YADARESESA-N 0 0 491.036 2.621 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CCOc2ccc(Cl)cn2)C1 ZINC001286922860 1061524232 /nfs/dbraw/zinc/52/42/32/1061524232.db2.gz DKNBWWZNUSFTRR-KRWDZBQOSA-N 0 0 455.950 2.820 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CCCC(=O)N(C)C)C1 ZINC001286923074 1061525181 /nfs/dbraw/zinc/52/51/81/1061525181.db2.gz YCLIOQUSVONIIY-QGZVFWFLSA-N 0 0 491.434 2.929 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CCOc2ccc(C)cc2)n1 ZINC001289854738 1061525591 /nfs/dbraw/zinc/52/55/91/1061525591.db2.gz JDHAMOXIJATNEM-OAQYLSRUSA-N 0 0 472.615 2.541 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCNC(=O)C(C)C)C1 ZINC001286923299 1061525626 /nfs/dbraw/zinc/52/56/26/1061525626.db2.gz IRAXDJWDBHVPFK-HXUWFJFHSA-N 0 0 479.629 2.952 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(-c3cn(C)c4ccccc34)n2CCNC(=O)C(C)(C)C)C1 ZINC001286923599 1061526711 /nfs/dbraw/zinc/52/67/11/1061526711.db2.gz NXYRAVRJZXRANO-LJQANCHMSA-N 0 0 479.629 2.952 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C(C)C)n2CCNC(=O)OC(C)(C)C)cc1 ZINC001289855146 1061527090 /nfs/dbraw/zinc/52/70/90/1061527090.db2.gz XHFZAIHVGSZOII-UHFFFAOYSA-N 0 0 480.635 2.649 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CCCNC(=O)OC(C)(C)C)C1 ZINC001286924113 1061529345 /nfs/dbraw/zinc/52/93/45/1061529345.db2.gz VYTYXYJZDWWFDT-SFHVURJKSA-N 0 0 457.579 2.607 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)[C@H](C)CC(N)=O)n2Cc2cccc(N3CCOCC3)n2)cc1 ZINC001289855578 1061530248 /nfs/dbraw/zinc/53/02/48/1061530248.db2.gz GMNVJLMQLLPKDM-LJQANCHMSA-N 0 0 495.653 2.859 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccc(F)cc3)nnc2N2CCOC[C@H]2C)s1 ZINC001289855729 1061531260 /nfs/dbraw/zinc/53/12/60/1061531260.db2.gz JALDQYJERFBHEK-OAHLLOKOSA-N 0 0 479.603 2.582 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(C(C)(C)C)n2Cc2cc(F)ccc2N2CCOCC2)CC1 ZINC001286924664 1061531546 /nfs/dbraw/zinc/53/15/46/1061531546.db2.gz AJQJXFIMSBPKOY-UHFFFAOYSA-N 0 0 472.609 2.952 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(Cc3ccsc3)n2C[C@H]2CCCO2)cc1 ZINC001289855730 1061531788 /nfs/dbraw/zinc/53/17/88/1061531788.db2.gz GNQNFGFMHPAXGC-LJQANCHMSA-N 0 0 475.640 2.833 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)c2ccccc2)C1 ZINC001286924927 1061532625 /nfs/dbraw/zinc/53/26/25/1061532625.db2.gz BQLMBUWWRVWUEE-IBGZPJMESA-N 0 0 459.616 2.762 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001286925004 1061533059 /nfs/dbraw/zinc/53/30/59/1061533059.db2.gz CPMXNYODCJEPAP-AEFFLSMTSA-N 0 0 480.491 2.529 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(CC(C)(C)C)nnc2N2CC[C@H](c3cnn(C)c3)C2)s1 ZINC001289856254 1061534151 /nfs/dbraw/zinc/53/41/51/1061534151.db2.gz OWLGCRQLOQSRPD-KRWDZBQOSA-N 0 0 491.687 2.943 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCOC[C@@H]2C)cc1 ZINC001289856365 1061534508 /nfs/dbraw/zinc/53/45/08/1061534508.db2.gz QYWYWXBTQLRSGC-ONTIZHBOSA-N 0 0 491.658 2.915 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3ccccn3)nnc2N2CCSC[C@@H]2C)s1 ZINC001289856367 1061534989 /nfs/dbraw/zinc/53/49/89/1061534989.db2.gz RLVDLSXYHYOLBM-AWEZNQCLSA-N 0 0 464.642 2.630 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccccc3F)nnc2N2CCCO[C@@H](C)C2)s1 ZINC001289856518 1061536003 /nfs/dbraw/zinc/53/60/03/1061536003.db2.gz UWGCOQDHWIJSFP-INIZCTEOSA-N 0 0 493.630 2.972 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2CCc2n[nH]c(C)n2)C1 ZINC001286925970 1061536664 /nfs/dbraw/zinc/53/66/64/1061536664.db2.gz KXXQUSZRQGRYHL-IBGZPJMESA-N 0 0 468.631 2.901 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(F)(F)F)C1 ZINC001286926061 1061537811 /nfs/dbraw/zinc/53/78/11/1061537811.db2.gz HXPKYRKHFSTKIM-HZPDHXFCSA-N 0 0 490.527 2.501 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(F)(F)F)C1 ZINC001286926058 1061537871 /nfs/dbraw/zinc/53/78/71/1061537871.db2.gz HXPKYRKHFSTKIM-HOTGVXAUSA-N 0 0 490.527 2.501 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCC[C@@H]2C)cc1 ZINC001289856759 1061538356 /nfs/dbraw/zinc/53/83/56/1061538356.db2.gz XLMXNNFHTAQBJA-CPJSRVTESA-N 0 0 498.653 2.538 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC2CCN(C(C)=O)CC2)C1 ZINC001286926105 1061538569 /nfs/dbraw/zinc/53/85/69/1061538569.db2.gz DYJDVGLNEHTEHF-JOCHJYFZSA-N 0 0 470.593 2.619 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3ccc[nH]3)nnc2N2CCS[C@H](C)[C@@H]2C)s1 ZINC001289856838 1061539364 /nfs/dbraw/zinc/53/93/64/1061539364.db2.gz YCMTVXBWGKDZMR-LSDHHAIUSA-N 0 0 466.658 2.952 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2Cc2ccc(NC(C)=O)nc2)C1 ZINC001286926479 1061539357 /nfs/dbraw/zinc/53/93/57/1061539357.db2.gz HSRPISAYSDFABH-QFIPXVFZSA-N 0 0 475.597 2.818 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(C3CC3)nnc2N(C)CCC2CCOCC2)s1 ZINC001289856919 1061540030 /nfs/dbraw/zinc/54/00/30/1061540030.db2.gz ZUFJSLNFWFDQLD-UHFFFAOYSA-N 0 0 453.634 2.757 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001286926561 1061540206 /nfs/dbraw/zinc/54/02/06/1061540206.db2.gz NPYSEBDHDZIMPU-MRXNPFEDSA-N 0 0 477.009 2.890 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[C@H](O)C2)C1 ZINC001286926628 1061541015 /nfs/dbraw/zinc/54/10/15/1061541015.db2.gz PESFHVCTTQEXJF-AABGKKOBSA-N 0 0 459.566 2.900 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCCNC(=O)c2cccc(O)c2)C1 ZINC001286926919 1061542254 /nfs/dbraw/zinc/54/22/54/1061542254.db2.gz HWJIRKKBHOWSGS-IBGZPJMESA-N 0 0 470.618 2.745 20 0 JFADRN Cc1c(CN(C)c2nnc(CSc3ccc(C)cc3)n2CCN2CCCS2(=O)=O)cnn1C ZINC001289860878 1061542752 /nfs/dbraw/zinc/54/27/52/1061542752.db2.gz MFQIQJGIJOYLQH-UHFFFAOYSA-N 0 0 489.671 2.593 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CCN2CCOC[C@H]2C)cc1 ZINC001289861126 1061543535 /nfs/dbraw/zinc/54/35/35/1061543535.db2.gz PWXCWVJOKMSMBN-LJQANCHMSA-N 0 0 474.675 2.950 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CSc3ccccc32)CC1 ZINC001286927119 1061543932 /nfs/dbraw/zinc/54/39/32/1061543932.db2.gz RJFVBWOTIXULJO-GOSISDBHSA-N 0 0 456.616 2.658 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CCN(C)CC(F)(F)F)C1 ZINC001286927332 1061544456 /nfs/dbraw/zinc/54/44/56/1061544456.db2.gz KFHWHLSMYBRSAR-FQEVSTJZSA-N 0 0 466.552 2.910 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)C[C@@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)cc1 ZINC001289862382 1061544497 /nfs/dbraw/zinc/54/44/97/1061544497.db2.gz DPKACIRWTLVVAL-IBGZPJMESA-N 0 0 494.683 2.681 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)NCC(F)(F)F)C1 ZINC001286927338 1061545036 /nfs/dbraw/zinc/54/50/36/1061545036.db2.gz KIEZNXTZVSUFMU-GOSISDBHSA-N 0 0 496.534 2.505 20 0 JFADRN Cc1ccc(SCc2nnc(N3CC(=O)N[C@H]4CCCC[C@@H]43)n2CC(=O)NC(C)C)cc1 ZINC001289862744 1061545831 /nfs/dbraw/zinc/54/58/31/1061545831.db2.gz LFLIJGAWPIJXGU-OALUTQOASA-N 0 0 456.616 2.651 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)CC3CCOCC3)n2CC(=O)N2CCOCC2)cc1 ZINC001289862957 1061546472 /nfs/dbraw/zinc/54/64/72/1061546472.db2.gz NDUVHSRFKGWAIQ-UHFFFAOYSA-N 0 0 459.616 2.600 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2Cc2ncccc2N(C)C)C1 ZINC001286928194 1061547407 /nfs/dbraw/zinc/54/74/07/1061547407.db2.gz WQKYXFNZRHVTJY-IBGZPJMESA-N 0 0 481.576 2.858 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCOc2ncccc2Cl)C1 ZINC001286928981 1061550266 /nfs/dbraw/zinc/55/02/66/1061550266.db2.gz QZVIGQWBKLZWCQ-ROUUACIJSA-N 0 0 462.982 2.652 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(C)(F)F)cc2)C1 ZINC001286929355 1061551360 /nfs/dbraw/zinc/55/13/60/1061551360.db2.gz SBINAUDLBVRPGQ-MJGOQNOKSA-N 0 0 460.529 2.742 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2C[C@@H]2CCOC2)cc1 ZINC001289869472 1061552219 /nfs/dbraw/zinc/55/22/19/1061552219.db2.gz DZZKDPDCUBBILB-SFHVURJKSA-N 0 0 479.672 2.776 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CC=CCO2)cc1 ZINC001289869509 1061552386 /nfs/dbraw/zinc/55/23/86/1061552386.db2.gz FZPPMSCKGMYOEX-IBGZPJMESA-N 0 0 457.600 2.695 20 0 JFADRN Cc1ccc(SCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001289870640 1061553663 /nfs/dbraw/zinc/55/36/63/1061553663.db2.gz BWKUHOIUBMSDJN-GOSISDBHSA-N 0 0 479.672 2.664 20 0 JFADRN Cc1ccc(SCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCOCC(F)F)cc1 ZINC001289870881 1061554269 /nfs/dbraw/zinc/55/42/69/1061554269.db2.gz CORXISUJXUVBSR-MRXNPFEDSA-N 0 0 460.572 2.784 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H]2CCOC2)cc1 ZINC001289871473 1061555264 /nfs/dbraw/zinc/55/52/64/1061555264.db2.gz GHKLDTPMHWBQDN-PKOBYXMFSA-N 0 0 450.630 2.929 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCNS(=O)(=O)c2ccc(C)s2)C1 ZINC001286930516 1061555571 /nfs/dbraw/zinc/55/55/71/1061555571.db2.gz RMSYQAGJZMLQKY-GOSISDBHSA-N 0 0 496.703 2.568 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2cc(C)oc2C)C1 ZINC001286930571 1061555956 /nfs/dbraw/zinc/55/59/56/1061555956.db2.gz RSQVGFRFKCETMA-NLFFAJNJSA-N 0 0 466.586 2.734 20 0 JFADRN Cc1ccc(SCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCCc2cnn(C)c2)cc1 ZINC001289872191 1061556110 /nfs/dbraw/zinc/55/61/10/1061556110.db2.gz PLKMJGGEHXGFOV-FQEVSTJZSA-N 0 0 474.656 2.868 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)NC(C)(C)C)C1 ZINC001286931373 1061557264 /nfs/dbraw/zinc/55/72/64/1061557264.db2.gz USYNTCXLEDNNID-IBGZPJMESA-N 0 0 458.582 2.665 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC[C@@H]3c3cnn(C)c3)n2CCNS(C)(=O)=O)cc1 ZINC001289875286 1061557543 /nfs/dbraw/zinc/55/75/43/1061557543.db2.gz HKWNCKWKWLGDIM-LJQANCHMSA-N 0 0 475.644 2.503 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[C@@H]2CCCCO2)C1 ZINC001286931486 1061557904 /nfs/dbraw/zinc/55/79/04/1061557904.db2.gz XWZHQRDFCALIMQ-YADHBBJMSA-N 0 0 457.623 2.842 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@](C)(O)C(C)C)cc1 ZINC001289875477 1061558206 /nfs/dbraw/zinc/55/82/06/1061558206.db2.gz JSXGONISOBFBKK-QFIPXVFZSA-N 0 0 481.688 2.758 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@@H]2CCCCO2)CC1 ZINC001286931988 1061559333 /nfs/dbraw/zinc/55/93/33/1061559333.db2.gz HRTZPTISMIDPSL-NRFANRHFSA-N 0 0 489.642 2.660 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CCC(=O)N(C)C)cc1 ZINC001289875984 1061559589 /nfs/dbraw/zinc/55/95/89/1061559589.db2.gz QVZFTOQTRRNIGK-LJQANCHMSA-N 0 0 479.672 2.761 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCOC[C@@H]3C)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001289876904 1061560541 /nfs/dbraw/zinc/56/05/41/1061560541.db2.gz GYFXVDUCYLFXDC-ZWKOTPCHSA-N 0 0 465.645 2.528 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCO[C@H](C)C3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001289877719 1061561512 /nfs/dbraw/zinc/56/15/12/1061561512.db2.gz SRAILPHMYMZRTF-QZTJIDSGSA-N 0 0 465.645 2.528 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCOC(C)(C)C3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001289877664 1061561626 /nfs/dbraw/zinc/56/16/26/1061561626.db2.gz QZBCQFWVZLTLDR-GOSISDBHSA-N 0 0 479.672 2.918 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CCOC(C)C)cc1 ZINC001289878851 1061563643 /nfs/dbraw/zinc/56/36/43/1061563643.db2.gz KQYWNEZVWYGVBY-UHFFFAOYSA-N 0 0 460.648 2.514 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 ZINC001286932874 1061563954 /nfs/dbraw/zinc/56/39/54/1061563954.db2.gz LEXSJMSPSMQLRM-XMMPIXPASA-N 0 0 454.575 2.754 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCN(c4cnccn4)CC3)n2CC(=O)NC(C)C)cc1 ZINC001289879404 1061564526 /nfs/dbraw/zinc/56/45/26/1061564526.db2.gz QMAKKNMCPKILDB-UHFFFAOYSA-N 0 0 466.615 2.520 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2cnnn2C)CC1 ZINC001286933194 1061564938 /nfs/dbraw/zinc/56/49/38/1061564938.db2.gz XIEMLKHYIFICDE-UHFFFAOYSA-N 0 0 450.591 2.772 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCCOC[C@H]2CCOC2)cc1 ZINC001289880059 1061566308 /nfs/dbraw/zinc/56/63/08/1061566308.db2.gz YMWUZVVAMWAWHV-WOJBJXKFSA-N 0 0 473.643 2.989 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC(C)(C)N2CCOCC2)cc1 ZINC001289880131 1061566474 /nfs/dbraw/zinc/56/64/74/1061566474.db2.gz ZDHFHXHXHYDNBQ-IBGZPJMESA-N 0 0 472.659 2.657 20 0 JFADRN Cc1ccc(SCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C(N)=O)C2)cc1 ZINC001289884119 1061568235 /nfs/dbraw/zinc/56/82/35/1061568235.db2.gz QPFKIMABBBPDEC-INIZCTEOSA-N 0 0 470.624 2.682 20 0 JFADRN Cc1ccc(SCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC001289884062 1061568302 /nfs/dbraw/zinc/56/83/02/1061568302.db2.gz IYSPYFDNHGRRHF-GOSISDBHSA-N 0 0 465.645 2.530 20 0 JFADRN Cc1ccc(SCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C(N)=O)C2)cc1 ZINC001289884121 1061568346 /nfs/dbraw/zinc/56/83/46/1061568346.db2.gz QPFKIMABBBPDEC-MRXNPFEDSA-N 0 0 470.624 2.682 20 0 JFADRN Cc1ccc(SCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC3(C2)CCOCC3)cc1 ZINC001289884116 1061568383 /nfs/dbraw/zinc/56/83/83/1061568383.db2.gz 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CC(=O)NCC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 ZINC001286934269 1061569009 /nfs/dbraw/zinc/56/90/09/1061569009.db2.gz GTTWIISOHXTGNS-WZONZLPQSA-N 0 0 461.994 2.696 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001286934503 1061569925 /nfs/dbraw/zinc/56/99/25/1061569925.db2.gz UTVLUKNPEWWBNM-MRXNPFEDSA-N 0 0 459.595 2.549 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCOCC2)CC1 ZINC001286934681 1061570317 /nfs/dbraw/zinc/57/03/17/1061570317.db2.gz KKNNUCPZTVXHDP-UHFFFAOYSA-N 0 0 475.037 2.597 20 0 JFADRN Cc1ccc2c(c1)CCN2c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCCCC1=O ZINC001289886463 1061570582 /nfs/dbraw/zinc/57/05/82/1061570582.db2.gz JLZCWJPRTPYCKH-GOSISDBHSA-N 0 0 474.631 2.684 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001286934753 1061571034 /nfs/dbraw/zinc/57/10/34/1061571034.db2.gz JZXCNNLWYBYAIN-UHFFFAOYSA-N 0 0 477.635 2.511 20 0 JFADRN Cc1cccc(C(=O)NCCn2c(Cc3ccccn3)nnc2N2CCO[C@H](C(F)(F)F)C2)c1 ZINC001289889305 1061571517 /nfs/dbraw/zinc/57/15/17/1061571517.db2.gz CASFOZFCYRQGJU-IBGZPJMESA-N 0 0 474.487 2.770 20 0 JFADRN Cc1cccc(C(=O)NCCn2c(-c3cnccn3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001289889643 1061573022 /nfs/dbraw/zinc/57/30/22/1061573022.db2.gz GMSJFHCVAMERQP-LJQANCHMSA-N 0 0 492.584 2.577 20 0 JFADRN CC(=O)NCC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCO2)CC1 ZINC001286935260 1061573255 /nfs/dbraw/zinc/57/32/55/1061573255.db2.gz OLELZGFNPBCFKJ-UXHICEINSA-N 0 0 476.622 2.882 20 0 JFADRN Cc1cccc(C(=O)NCCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC(F)(F)F)c1 ZINC001289889823 1061573928 /nfs/dbraw/zinc/57/39/28/1061573928.db2.gz MWEPCTXOGKAUMZ-UHFFFAOYSA-N 0 0 461.448 2.662 20 0 JFADRN CCC[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2ccccc2OC)CCO1 ZINC001294095742 1061574175 /nfs/dbraw/zinc/57/41/75/1061574175.db2.gz CNXUVXJUJLEOKU-OALUTQOASA-N 0 0 457.575 2.882 20 0 JFADRN Cc1cccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC001289889945 1061574542 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CC(=O)NCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001286955695 1061710742 /nfs/dbraw/zinc/71/07/42/1061710742.db2.gz RKPRZEILDSGJNN-IBGZPJMESA-N 0 0 488.608 2.901 20 0 JFADRN CC(=O)NCCCn1c(N2CCO[C@@](C)(c3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001286955708 1061711212 /nfs/dbraw/zinc/71/12/12/1061711212.db2.gz RRSNBCKYROJMOT-JWQCQUIFSA-N 0 0 471.602 2.597 20 0 JFADRN CC(=O)NCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001286955714 1061711343 /nfs/dbraw/zinc/71/13/43/1061711343.db2.gz RUQYFBYGGAWXBW-HBMCJLEFSA-N 0 0 490.649 2.970 20 0 JFADRN CC(=O)NCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001286956018 1061712294 /nfs/dbraw/zinc/71/22/94/1061712294.db2.gz WWUXZKBTCYBSOV-NRFANRHFSA-N 0 0 466.007 2.746 20 0 JFADRN CC(=O)NCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001286956259 1061713255 /nfs/dbraw/zinc/71/32/55/1061713255.db2.gz FGLSUOQFQASOTQ-SFHVURJKSA-N 0 0 465.602 2.570 20 0 JFADRN CC(=O)NCCCn1c(N(C)[C@H]2CCCN(c3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001286956216 1061713272 /nfs/dbraw/zinc/71/32/72/1061713272.db2.gz ZOQGTDXBIJGXBI-JYFHCDHNSA-N 0 0 484.645 2.950 20 0 JFADRN Cc1cccc(-c2nnc(N3CCOC(C)(C)C3)n2CC[C@@H](C(F)F)N2CCOCC2)n1 ZINC001289989604 1061714132 /nfs/dbraw/zinc/71/41/32/1061714132.db2.gz VHHHRBQNHOXSDU-SFHVURJKSA-N 0 0 450.534 2.620 20 0 JFADRN Cc1nc([C@H]2CN(c3nnc(-c4cccc(C)n4)n3CC(F)(F)Br)CCO2)no1 ZINC001289991106 1061715684 /nfs/dbraw/zinc/71/56/84/1061715684.db2.gz DDMMAELPRFMOMJ-CYBMUJFWSA-N 0 0 470.278 2.906 20 0 JFADRN CCOC(Cn1cc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)cn1)OCC ZINC001289990724 1061715703 /nfs/dbraw/zinc/71/57/03/1061715703.db2.gz SYCOEMLQZBYVMB-UHFFFAOYSA-N 0 0 453.337 2.722 20 0 JFADRN CC(=O)NCCN(Cc1ccc(C)s1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 ZINC001286957305 1061719326 /nfs/dbraw/zinc/71/93/26/1061719326.db2.gz OSVSKZKWYPWSRY-RTWAWAEBSA-N 0 0 488.658 2.553 20 0 JFADRN 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CCc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)CC2)cc1 ZINC001294213403 1061721047 /nfs/dbraw/zinc/72/10/47/1061721047.db2.gz ZAZNCSOOHTZIHO-JOCHJYFZSA-N 0 0 457.596 2.669 20 0 JFADRN CCO[C@H](C)c1noc(CN2CCN(C(=O)c3ccc(Br)c(OC)c3)CC2)n1 ZINC001294213791 1061721852 /nfs/dbraw/zinc/72/18/52/1061721852.db2.gz ODABXBSDHHUZKW-CYBMUJFWSA-N 0 0 453.337 2.896 20 0 JFADRN CCO[C@@H](C)c1noc(CN2CCN(C(=O)C3(NC(=O)OC(C)(C)C)CCCC3)CC2)n1 ZINC001294214045 1061722756 /nfs/dbraw/zinc/72/27/56/1061722756.db2.gz QBIBIHVNZJDEHT-INIZCTEOSA-N 0 0 451.568 2.649 20 0 JFADRN CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cccnc2)n1CC(C)(C)N1CCOCC1 ZINC001286957967 1061722813 /nfs/dbraw/zinc/72/28/13/1061722813.db2.gz HPWLDWMTGVCRHA-UHFFFAOYSA-N 0 0 483.642 2.655 20 0 JFADRN CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2cnccn2)n1C[C@H]1OCC[C@H]1C ZINC001286957959 1061722856 /nfs/dbraw/zinc/72/28/56/1061722856.db2.gz VERDWRKXDRZBTM-FOIQADDNSA-N 0 0 455.588 2.673 20 0 JFADRN CCO[C@@H](C)c1noc(CN2CCN(C(=O)[C@@]3(C)CCCN3C(=O)OC(C)(C)C)CC2)n1 ZINC001294214563 1061723074 /nfs/dbraw/zinc/72/30/74/1061723074.db2.gz XFEQAFJPCARNAM-KSFYIVLOSA-N 0 0 451.568 2.601 20 0 JFADRN C[C@@H]1CCC[C@H](OCC(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)C1 ZINC001290000374 1061723477 /nfs/dbraw/zinc/72/34/77/1061723477.db2.gz OMLMZRPJQPZOOA-WBVHZDCISA-N 0 0 459.406 2.877 20 0 JFADRN CC(=O)NCCN(Cc1ccsc1)c1nnc(Cc2ccccn2)n1Cc1cc(C)nn1C ZINC001286958071 1061723853 /nfs/dbraw/zinc/72/38/53/1061723853.db2.gz JHDXOPBBDZUOBG-UHFFFAOYSA-N 0 0 464.599 2.558 20 0 JFADRN CC(=O)NCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)C1CCC(C)CC1 ZINC001286958097 1061723931 /nfs/dbraw/zinc/72/39/31/1061723931.db2.gz AMNPQHRRJPEDTK-UHFFFAOYSA-N 0 0 451.575 2.733 20 0 JFADRN CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2cnccn2)n1C[C@](C)(O)c1ccco1 ZINC001286958037 1061724042 /nfs/dbraw/zinc/72/40/42/1061724042.db2.gz WRENKEFOXUQGLF-QHCPKHFHSA-N 0 0 481.582 2.748 20 0 JFADRN Cc1cccc(CC2(O)CCN(c3nnc(C(=O)N4CCCC4)n3C[C@@](C)(O)C(C)C)CC2)c1 ZINC001290000656 1061724092 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CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001294278997 1061770065 /nfs/dbraw/zinc/77/00/65/1061770065.db2.gz RXRVZBPXJXSDMD-UHFFFAOYSA-N 0 0 486.621 2.779 20 0 JFADRN CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001294278676 1061770089 /nfs/dbraw/zinc/77/00/89/1061770089.db2.gz MXJSFNDPUARYAQ-QGZVFWFLSA-N 0 0 471.606 2.849 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCOC(F)(F)F ZINC001286974734 1061770413 /nfs/dbraw/zinc/77/04/13/1061770413.db2.gz JVVXTGHDHIBNTE-CKEIUWERSA-N 0 0 492.520 2.975 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCC2(C1)OCCO2 ZINC001286974754 1061770445 /nfs/dbraw/zinc/77/04/45/1061770445.db2.gz AEFDHEIAXFTIQL-DYXWJJEUSA-N 0 0 476.643 2.864 20 0 JFADRN CC(C)c1nnc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)s1 ZINC001290053265 1061770775 /nfs/dbraw/zinc/77/07/75/1061770775.db2.gz CSDOEVWHUXAEOV-UHFFFAOYSA-N 0 0 459.391 2.571 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N1CCCCC1 ZINC001286974844 1061770883 /nfs/dbraw/zinc/77/08/83/1061770883.db2.gz BGAGMJGBLDQKOV-ANTGDGSKSA-N 0 0 497.706 2.857 20 0 JFADRN CC(C)C1(Cn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)CC1 ZINC001286974947 1061771704 /nfs/dbraw/zinc/77/17/04/1061771704.db2.gz BEWVMUSPXPQJHE-IAGOWNOFSA-N 0 0 472.619 2.615 20 0 JFADRN CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001294280797 1061772233 /nfs/dbraw/zinc/77/22/33/1061772233.db2.gz NHPBHNIUEGXIPC-JYJNAYRXSA-N 0 0 451.524 2.501 20 0 JFADRN CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 ZINC001294281617 1061772871 /nfs/dbraw/zinc/77/28/71/1061772871.db2.gz SUJXAAAZZHBZHV-XLIONFOSSA-N 0 0 465.620 2.574 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1Cc1nncn1-c1ccccc1 ZINC001286975036 1061772848 /nfs/dbraw/zinc/77/28/48/1061772848.db2.gz AKVXCPBFHDQDNZ-IRXDYDNUSA-N 0 0 457.604 2.823 20 0 JFADRN Cc1csc([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1 ZINC001290054030 1061773072 /nfs/dbraw/zinc/77/30/72/1061773072.db2.gz OJSHDGXUMSONHV-CYBMUJFWSA-N 0 0 458.403 2.851 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H]2CCS(=O)(=O)C2)c1 ZINC001290054166 1061773109 /nfs/dbraw/zinc/77/31/09/1061773109.db2.gz IJDWTROKJGNFSP-GOSISDBHSA-N 0 0 462.616 2.994 20 0 JFADRN CCOC(=O)[C@H](C)CNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC001294282606 1061773837 /nfs/dbraw/zinc/77/38/37/1061773837.db2.gz QDHBNVIAJQTLNB-GFCCVEGCSA-N 0 0 451.372 2.710 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccn(C)n1 ZINC001286975137 1061773924 /nfs/dbraw/zinc/77/39/24/1061773924.db2.gz LDPFXWGRWBYSLH-GJZGRUSLSA-N 0 0 450.996 2.562 20 0 JFADRN CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001294282580 1061774023 /nfs/dbraw/zinc/77/40/23/1061774023.db2.gz YUMPPLGHCBXXRN-IAGOWNOFSA-N 0 0 455.625 2.816 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)CCN3CCOCC3)n2Cc2nccc(C(F)F)n2)c1 ZINC001290054351 1061774172 /nfs/dbraw/zinc/77/41/72/1061774172.db2.gz DHRXNLOGPJWGIX-UHFFFAOYSA-N 0 0 473.528 2.710 20 0 JFADRN CCCCn1c(CCOc2ccccc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001294286228 1061774327 /nfs/dbraw/zinc/77/43/27/1061774327.db2.gz AKZRPNKZJAZMIC-NRFANRHFSA-N 0 0 454.619 2.833 20 0 JFADRN Cc1cc(C)n(CCCn2c(COc3cccc(C)c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)n1 ZINC001290056024 1061775864 /nfs/dbraw/zinc/77/58/64/1061775864.db2.gz RFHXXYVJGPZVMT-FQEVSTJZSA-N 0 0 451.575 2.736 20 0 JFADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@H]3c4c[nH]nc4CN3C(=O)OC(C)(C)C)C2)c1 ZINC001294290113 1061776137 /nfs/dbraw/zinc/77/61/37/1061776137.db2.gz DGCBALGBLCAESO-VBKZILBWSA-N 0 0 457.531 2.614 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001286975354 1061776320 /nfs/dbraw/zinc/77/63/20/1061776320.db2.gz DFYMOLIDCREKCW-LZJOCLMNSA-N 0 0 489.642 2.654 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1CC1(c2ccc(F)cc2)CCOCC1 ZINC001286975578 1061777025 /nfs/dbraw/zinc/77/70/25/1061777025.db2.gz MBBGDLXIBKNNBM-CEXWTWQISA-N 0 0 494.633 2.927 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CCOc2ccccc2)n1C[C@H]1CC12CCOCC2 ZINC001286975383 1061777093 /nfs/dbraw/zinc/77/70/93/1061777093.db2.gz DHMODLSMOCOTPB-VAMGGRTRSA-N 0 0 476.643 2.974 20 0 JFADRN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H]3c4cccc(F)c4CC[C@@H]3C)CC2)cc1 ZINC001294292315 1061777319 /nfs/dbraw/zinc/77/73/19/1061777319.db2.gz NZEGFTOUUOXJKK-MHECFPHRSA-N 0 0 459.587 2.880 20 0 JFADRN CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)C1 ZINC001294292142 1061777365 /nfs/dbraw/zinc/77/73/65/1061777365.db2.gz HGBKSOMVVMEYNJ-BXKMTCNYSA-N 0 0 459.543 2.510 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[C@H]1CCOC1 ZINC001286975658 1061777419 /nfs/dbraw/zinc/77/74/19/1061777419.db2.gz FXTGSRWVRGYBTQ-QYZOEREBSA-N 0 0 459.616 2.966 20 0 JFADRN O=C(c1cc(C(F)(F)F)ncn1)N1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC001294293164 1061778035 /nfs/dbraw/zinc/77/80/35/1061778035.db2.gz SQOLQFGEFTZXOO-UHFFFAOYSA-N 0 0 452.462 2.998 20 0 JFADRN COc1cc(CC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)ccc1O ZINC001290058222 1061778398 /nfs/dbraw/zinc/77/83/98/1061778398.db2.gz JRCUDPYCYSPYPV-UHFFFAOYSA-N 0 0 459.351 2.783 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(-c2ccccc2F)n1CC1(C(=O)N(C)C)CCCC1)S(C)(=O)=O ZINC001286975924 1061779667 /nfs/dbraw/zinc/77/96/67/1061779667.db2.gz DRINJGLBPUVDGQ-DLBZAZTESA-N 0 0 479.622 2.991 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@H](C)[C@H](C)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC001290059786 1061779761 /nfs/dbraw/zinc/77/97/61/1061779761.db2.gz NJBJDXNCRGQXFZ-XUVXKRRUSA-N 0 0 461.632 2.929 20 0 JFADRN CCCCn1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc(O)cc3C2)c(C)n1 ZINC001294294898 1061779681 /nfs/dbraw/zinc/77/96/81/1061779681.db2.gz BZPFFUXCXFKPSC-QGZVFWFLSA-N 0 0 487.630 2.510 20 0 JFADRN CCCCn1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)c(C)n1 ZINC001294295171 1061780225 /nfs/dbraw/zinc/78/02/25/1061780225.db2.gz JLBXPBLVCYSGOZ-SFHVURJKSA-N 0 0 478.022 2.970 20 0 JFADRN CCCCn1cc(Cn2c(-c3ccc(C)o3)nnc2N2CCO[C@H](CNC(C)=O)C2)c(C)n1 ZINC001294295141 1061780356 /nfs/dbraw/zinc/78/03/56/1061780356.db2.gz IMVZNEYLEHYNMW-HXUWFJFHSA-N 0 0 455.563 2.541 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001290060351 1061780832 /nfs/dbraw/zinc/78/08/32/1061780832.db2.gz UXXDASOZBFKPQK-QZTJIDSGSA-N 0 0 472.590 2.733 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1CCc1cc2ccccc2o1 ZINC001286976124 1061781097 /nfs/dbraw/zinc/78/10/97/1061781097.db2.gz HYLUVWOOBXMEOV-IRXDYDNUSA-N 0 0 473.599 2.647 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCc2nccc(C(F)(F)F)n2)c1 ZINC001290060584 1061781313 /nfs/dbraw/zinc/78/13/13/1061781313.db2.gz YXBONMKGRNHYHT-UHFFFAOYSA-N 0 0 489.502 2.919 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC(=O)NC(C)(C)C ZINC001286976117 1061781613 /nfs/dbraw/zinc/78/16/13/1061781613.db2.gz NYSXGSNLDZYAPO-HUUCEWRRSA-N 0 0 485.601 2.710 20 0 JFADRN CCCCn1cc(Cn2c(C(C)C)nnc2N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)c(C)n1 ZINC001294295867 1061781799 /nfs/dbraw/zinc/78/17/99/1061781799.db2.gz LTZZJNYZPTVEOX-LJQANCHMSA-N 0 0 456.595 2.521 20 0 JFADRN CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001294296177 1061782235 /nfs/dbraw/zinc/78/22/35/1061782235.db2.gz HRTBZCOLNLOEFX-XDHUDOTRSA-N 0 0 489.621 2.965 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(F)(F)F ZINC001286976302 1061782568 /nfs/dbraw/zinc/78/25/68/1061782568.db2.gz CWXJZJACSMCCHD-RYUDHWBXSA-N 0 0 479.525 2.852 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCOCC2(C)C)CC1 ZINC001286976391 1061783206 /nfs/dbraw/zinc/78/32/06/1061783206.db2.gz DOVJJWHSNKLTPT-UHFFFAOYSA-N 0 0 486.636 2.814 20 0 JFADRN CCCCn1c(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294296401 1061783213 /nfs/dbraw/zinc/78/32/13/1061783213.db2.gz KJMNNKHQGPWEBL-OFNKIYASSA-N 0 0 483.679 2.950 20 0 JFADRN CCCCn1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC([C@H]3CCCO3)CC2)c(C)n1 ZINC001294296507 1061783291 /nfs/dbraw/zinc/78/32/91/1061783291.db2.gz PUYDLOUBMQZOCL-WIYYLYMNSA-N 0 0 493.678 2.637 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2Cc2cc(C(C)(C)C)no2)c1 ZINC001290062397 1061783393 /nfs/dbraw/zinc/78/33/93/1061783393.db2.gz HDOUQIXWHWSQAQ-UHFFFAOYSA-N 0 0 482.585 2.970 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CC[C@H]2CCO[C@H](C)C2)c1 ZINC001290062437 1061783529 /nfs/dbraw/zinc/78/35/29/1061783529.db2.gz IBKPUSAWVMXHQY-UXHICEINSA-N 0 0 491.658 2.889 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@H]4OC(=O)O[C@H]4C3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001290062442 1061783846 /nfs/dbraw/zinc/78/38/46/1061783846.db2.gz IFXZPNAZNOTWFR-MSOLQXFVSA-N 0 0 473.530 2.804 20 0 JFADRN CCCCn1cc(Cn2c([C@H](C)CC)nnc2N2CCN(C(=O)[C@H]3CCCO3)CC2)c(C)n1 ZINC001294296527 1061783898 /nfs/dbraw/zinc/78/38/98/1061783898.db2.gz QLTKASHCWGLFND-WIYYLYMNSA-N 0 0 457.623 2.973 20 0 JFADRN CCCCn1cc(Cn2c([C@@H](C)CC)nnc2N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C)n1 ZINC001294296526 1061783935 /nfs/dbraw/zinc/78/39/35/1061783935.db2.gz QLTKASHCWGLFND-RXVVDRJESA-N 0 0 457.623 2.973 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(CC2CC2)n1Cc1ccccc1CN1CCCC1=O)S(C)(=O)=O ZINC001286976472 1061783938 /nfs/dbraw/zinc/78/39/38/1061783938.db2.gz JAUKEKKXGIXZGU-ZWKOTPCHSA-N 0 0 473.643 2.659 20 0 JFADRN CCCCn1cc(Cn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)CCOC)c(C)n1 ZINC001294296901 1061784402 /nfs/dbraw/zinc/78/44/02/1061784402.db2.gz CXSOYAWOSDRWJN-UHFFFAOYSA-N 0 0 464.574 2.628 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCCc2cnn(C)n2)c1 ZINC001290062508 1061784502 /nfs/dbraw/zinc/78/45/02/1061784502.db2.gz JVZNEGLSJLXVTN-UHFFFAOYSA-N 0 0 479.507 2.820 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(CC(C)(C)C)n1CC(=O)N(C)Cc1ccccc1)S(C)(=O)=O ZINC001286976560 1061784869 /nfs/dbraw/zinc/78/48/69/1061784869.db2.gz PAZSFLMTOGEWEB-ZWKOTPCHSA-N 0 0 463.648 2.783 20 0 JFADRN CCCCn1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)S[C@@H](C)C2)c(C)n1 ZINC001294297142 1061784998 /nfs/dbraw/zinc/78/49/98/1061784998.db2.gz VPQJJABCOHHQPX-HLLBOEOZSA-N 0 0 469.681 2.572 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccccc3F)n2CCCCCS(C)(=O)=O)CC1 ZINC001286976581 1061784993 /nfs/dbraw/zinc/78/49/93/1061784993.db2.gz GUWUUGNVPNHGIA-UHFFFAOYSA-N 0 0 479.622 2.994 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(CCC(N)=O)CC3)n2CCC2(O)CCOCC2)c1 ZINC001290062598 1061785060 /nfs/dbraw/zinc/78/50/60/1061785060.db2.gz AJMLKLNZDMTJHR-UHFFFAOYSA-N 0 0 471.602 2.579 20 0 JFADRN CCCCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CCCO)CC2)c(C)n1 ZINC001294297877 1061786673 /nfs/dbraw/zinc/78/66/73/1061786673.db2.gz IPWPLZHQEFXWFW-FQEVSTJZSA-N 0 0 478.663 2.522 20 0 JFADRN CCCCn1cc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)c(C)n1 ZINC001294298862 1061787307 /nfs/dbraw/zinc/78/73/07/1061787307.db2.gz OCHUTDXHWGAIPO-IBGZPJMESA-N 0 0 467.622 2.725 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCCOc1ccc(F)cc1)S(C)(=O)=O ZINC001286976899 1061787837 /nfs/dbraw/zinc/78/78/37/1061787837.db2.gz FMKMIDITODIJIJ-JKSUJKDBSA-N 0 0 464.567 2.545 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1CCCOc1ccc(F)cc1 ZINC001286976895 1061787985 /nfs/dbraw/zinc/78/79/85/1061787985.db2.gz FMKMIDITODIJIJ-HOTGVXAUSA-N 0 0 464.567 2.545 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2=CCCCC2)CC1 ZINC001286977010 1061788458 /nfs/dbraw/zinc/78/84/58/1061788458.db2.gz IWOBZKGQNFNDKQ-IBGZPJMESA-N 0 0 463.648 2.765 20 0 JFADRN CCCCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C)[C@@H]2CC)c(C)n1 ZINC001294300145 1061788839 /nfs/dbraw/zinc/78/88/39/1061788839.db2.gz XAPYSCPHRJLNCL-YYWHXJBOSA-N 0 0 493.678 2.589 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(Cl)cc2)CC1 ZINC001286977053 1061789224 /nfs/dbraw/zinc/78/92/24/1061789224.db2.gz JLCZBDUXFWPYRT-SFHVURJKSA-N 0 0 474.993 2.656 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CCCn1cnc2ccccc21)S(C)(=O)=O ZINC001286977135 1061789246 /nfs/dbraw/zinc/78/92/46/1061789246.db2.gz LQMNXFCCCXCMJH-SQGPQFPESA-N 0 0 460.604 2.827 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(Cl)cc2)CC1 ZINC001286977049 1061789267 /nfs/dbraw/zinc/78/92/67/1061789267.db2.gz JLCZBDUXFWPYRT-GOSISDBHSA-N 0 0 474.993 2.656 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1)S(C)(=O)=O ZINC001286977139 1061789369 /nfs/dbraw/zinc/78/93/69/1061789369.db2.gz LRICZASWXHCUIK-SQWLQELKSA-N 0 0 486.063 2.760 20 0 JFADRN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C=O)sc1Cl ZINC001294302977 1061790200 /nfs/dbraw/zinc/79/02/00/1061790200.db2.gz VHJPVYCUWBSBFT-UHFFFAOYSA-N 0 0 458.945 2.886 20 0 JFADRN CCCCn1cc(Cn2c(Cc3cccnc3)nnc2N2CCC(CC(N)=O)CC2)c(C)n1 ZINC001294303579 1061790224 /nfs/dbraw/zinc/79/02/24/1061790224.db2.gz DQHARKHUQJUCLR-UHFFFAOYSA-N 0 0 450.591 2.709 20 0 JFADRN CCCCn1cc(Cn2c(CC)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c(C)n1 ZINC001294303959 1061791182 /nfs/dbraw/zinc/79/11/82/1061791182.db2.gz KPOWQVNPPASQDZ-LJQANCHMSA-N 0 0 461.611 2.924 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCOC1CCCC1)S(C)(=O)=O ZINC001286977601 1061791614 /nfs/dbraw/zinc/79/16/14/1061791614.db2.gz FXWHCDIFICGQPJ-JKSUJKDBSA-N 0 0 481.619 2.613 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1=CCCOC1 ZINC001286977728 1061793189 /nfs/dbraw/zinc/79/31/89/1061793189.db2.gz GLSLMINNKZASGG-MSOLQXFVSA-N 0 0 470.599 2.735 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CCC(=O)NC(C)(C)C)c1 ZINC001290069345 1061793700 /nfs/dbraw/zinc/79/37/00/1061793700.db2.gz GLJTZQUPKYZROY-HXUWFJFHSA-N 0 0 491.658 2.874 20 0 JFADRN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C2(c3ccccc3)CCN(S(=O)(=O)CC)CC2)C1 ZINC001294305980 1061793729 /nfs/dbraw/zinc/79/37/29/1061793729.db2.gz UPFZWHSPJUOMEG-PCFSMJPMSA-N 0 0 454.658 2.566 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(F)F)c1 ZINC001286977777 1061793795 /nfs/dbraw/zinc/79/37/95/1061793795.db2.gz GRIIDICHDKCEAM-KGLIPLIRSA-N 0 0 452.531 2.922 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCCC[C@H](C)C3)n2CCNS(=O)(=O)Cc2ccon2)c1 ZINC001290069554 1061794171 /nfs/dbraw/zinc/79/41/71/1061794171.db2.gz LYZWXUDXXWCQIR-IBGZPJMESA-N 0 0 488.614 2.900 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCCC[C@@H](C)C3)n2CCOCCS(C)(=O)=O)c1 ZINC001290069617 1061794740 /nfs/dbraw/zinc/79/47/40/1061794740.db2.gz OAFVWGQRZSHVIX-LJQANCHMSA-N 0 0 450.605 2.853 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)c2ccsc2)CC1 ZINC001286978018 1061795200 /nfs/dbraw/zinc/79/52/00/1061795200.db2.gz QIVVYAHZUWADRM-UZUQRXQVSA-N 0 0 461.632 2.836 20 0 JFADRN CCCCn1cc(Cn2c(CSc3ccccc3OC)nnc2N2CCNC(=O)C2)c(C)n1 ZINC001294308269 1061795315 /nfs/dbraw/zinc/79/53/15/1061795315.db2.gz PHHJWRDOINVJOE-UHFFFAOYSA-N 0 0 469.615 2.869 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2csc(C(C)(C)C)n2)CC1 ZINC001286978040 1061795376 /nfs/dbraw/zinc/79/53/76/1061795376.db2.gz QUXYQYGQUCUWLD-KRWDZBQOSA-N 0 0 487.674 2.921 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCCN(CC(F)(F)F)CC3)n2CCCS(C)(=O)=O)c1 ZINC001290070587 1061795922 /nfs/dbraw/zinc/79/59/22/1061795922.db2.gz YNLIRQWNNQXTFN-UHFFFAOYSA-N 0 0 489.564 2.675 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)n2CCCOC(C)C)c1 ZINC001290071213 1061797132 /nfs/dbraw/zinc/79/71/32/1061797132.db2.gz KBEURMKHIJHBTK-QFIPXVFZSA-N 0 0 471.602 2.808 20 0 JFADRN CCCCn1cc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCN(C(=O)OCC)CC2)c(C)n1 ZINC001294308961 1061797995 /nfs/dbraw/zinc/79/79/95/1061797995.db2.gz XINDYEMMCAQVDF-UHFFFAOYSA-N 0 0 483.621 2.772 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2C[C@@]2(O)CCOC2)c1 ZINC001290071486 1061798182 /nfs/dbraw/zinc/79/81/82/1061798182.db2.gz NFCLEIAHVMCCGB-CLOONOSVSA-N 0 0 487.601 2.763 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCOc2ncccc2Cl)c1 ZINC001290071601 1061798669 /nfs/dbraw/zinc/79/86/69/1061798669.db2.gz PTAYOUUPQXULQK-KRWDZBQOSA-N 0 0 470.961 2.960 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1C[C@](C)(O)c1ccco1 ZINC001286978498 1061798933 /nfs/dbraw/zinc/79/89/33/1061798933.db2.gz VMRYEDLPVJPMSO-SXGZJXTBSA-N 0 0 452.602 2.689 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCc2nccc(C(F)(F)F)n2)c1 ZINC001290071793 1061799283 /nfs/dbraw/zinc/79/92/83/1061799283.db2.gz UJEIEMSIAHMOBX-INIZCTEOSA-N 0 0 489.502 2.884 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C(=O)c4ccsc4)CC3)n2CC(C)(C)O)c1 ZINC001290071949 1061799842 /nfs/dbraw/zinc/79/98/42/1061799842.db2.gz WFOSHZHEBWQDIH-UHFFFAOYSA-N 0 0 455.584 2.960 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CCCCNC(=O)OC(C)(C)C ZINC001286978650 1061800005 /nfs/dbraw/zinc/80/00/05/1061800005.db2.gz WQLILLSZBSGXJE-FGTMMUONSA-N 0 0 487.667 2.735 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN4C(=O)N(C)C[C@@H]4C3)n2CCCN(C)CC(F)(F)F)c1 ZINC001290072562 1061800880 /nfs/dbraw/zinc/80/08/80/1061800880.db2.gz BXKWZDYIHMAJBF-GOSISDBHSA-N 0 0 495.550 2.606 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CCOCC(F)(F)C(F)F)c1 ZINC001290072538 1061801042 /nfs/dbraw/zinc/80/10/42/1061801042.db2.gz BMLZGOCWJJJIDE-OAHLLOKOSA-N 0 0 487.454 2.723 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001286978772 1061801367 /nfs/dbraw/zinc/80/13/67/1061801367.db2.gz VWCRTEIHJQAECM-IBGZPJMESA-N 0 0 459.616 2.607 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCn2cncn2)CC1 ZINC001286978820 1061801739 /nfs/dbraw/zinc/80/17/39/1061801739.db2.gz XKGRCKGDLOKQQE-UHFFFAOYSA-N 0 0 460.945 2.724 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CCN(C)c1ccccc1 ZINC001286978939 1061803152 /nfs/dbraw/zinc/80/31/52/1061803152.db2.gz XSQLETJUVFOONN-RTBURBONSA-N 0 0 456.616 2.658 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CNC(=O)c2cccs2)n1CCc1ccccc1F ZINC001286979119 1061804447 /nfs/dbraw/zinc/80/44/47/1061804447.db2.gz SYQWBKLGAWJICZ-HZPDHXFCSA-N 0 0 493.630 2.909 20 0 JFADRN CN1CCCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)c2ccc(F)cc21 ZINC001294312886 1061804619 /nfs/dbraw/zinc/80/46/19/1061804619.db2.gz YQFLEYUNASKGTH-UHFFFAOYSA-N 0 0 456.337 2.740 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCO[C@@H](c4nccs4)C3)n2CC(=O)NC(C)C)c1 ZINC001290076578 1061805141 /nfs/dbraw/zinc/80/51/41/1061805141.db2.gz ANBSESCVSRTLPD-GOSISDBHSA-N 0 0 456.572 2.725 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCO[C@H](c4nccs4)C3)n2CC(=O)NC(C)C)c1 ZINC001290076579 1061805328 /nfs/dbraw/zinc/80/53/28/1061805328.db2.gz ANBSESCVSRTLPD-SFHVURJKSA-N 0 0 456.572 2.725 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1noc2c1CCCC2 ZINC001286979243 1061805232 /nfs/dbraw/zinc/80/52/32/1061805232.db2.gz JASKWHVXPCBLTN-VCBZYWHSSA-N 0 0 451.593 2.693 20 0 JFADRN Cc1sc2nc(CCC(=O)NCc3cc(F)ccc3CS(C)(=O)=O)[nH]c(=O)c2c1C ZINC001294313422 1061805394 /nfs/dbraw/zinc/80/53/94/1061805394.db2.gz DYACROMPSLCZQD-UHFFFAOYSA-N 0 0 451.545 2.946 20 0 JFADRN CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCCS2(=O)=O)C1 ZINC001286979358 1061806283 /nfs/dbraw/zinc/80/62/83/1061806283.db2.gz AEDQFCFMBGZZFU-CEXWTWQISA-N 0 0 481.663 2.618 20 0 JFADRN CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(C3CC3)n2CCS(=O)(=O)Cc2ccccc2)C1 ZINC001286979397 1061806677 /nfs/dbraw/zinc/80/66/77/1061806677.db2.gz AMNVIFXIIASTIY-FQEVSTJZSA-N 0 0 473.643 2.902 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CCn1c(=O)[nH]c2ccccc21 ZINC001286979630 1061807242 /nfs/dbraw/zinc/80/72/42/1061807242.db2.gz YVXFLZICBPZSDT-CVEARBPZSA-N 0 0 488.639 2.944 20 0 JFADRN Cc1cccc(OCc2nnc(N3C[C@H]4OCO[C@H]4C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001290078870 1061808936 /nfs/dbraw/zinc/80/89/36/1061808936.db2.gz ZTIIAJDWVNDUDY-YSIASYRMSA-N 0 0 473.574 2.982 20 0 JFADRN CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C(C)(C)C)n2CC2(CS(C)(=O)=O)CC2)C1 ZINC001294315955 1061809124 /nfs/dbraw/zinc/80/91/24/1061809124.db2.gz CZBZZQRTAMSPJQ-ROUUACIJSA-N 0 0 467.680 2.922 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(O)CCCC1(C)C ZINC001286979754 1061809146 /nfs/dbraw/zinc/80/91/46/1061809146.db2.gz ZOPYPFVEZZHHGV-JJLPPOTMSA-N 0 0 492.642 2.990 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1CC1([S@@](C)=O)CCC1 ZINC001286979878 1061809674 /nfs/dbraw/zinc/80/96/74/1061809674.db2.gz WMDKRTOJQYXSRW-FMTUJPNVSA-N 0 0 466.673 2.622 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1CC1([S@](C)=O)CCC1 ZINC001286979881 1061809855 /nfs/dbraw/zinc/80/98/55/1061809855.db2.gz WMDKRTOJQYXSRW-YUWQIPRYSA-N 0 0 466.673 2.622 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCCC1(C)C ZINC001286979761 1061809907 /nfs/dbraw/zinc/80/99/07/1061809907.db2.gz ZOPYPFVEZZHHGV-UDABPDOUSA-N 0 0 492.642 2.990 20 0 JFADRN Cc1cccc(OCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)S[C@@H](C)C2)c1 ZINC001290079584 1061810236 /nfs/dbraw/zinc/81/02/36/1061810236.db2.gz BDADITXGSICAKC-ULQDDVLXSA-N 0 0 453.634 2.606 20 0 JFADRN Cc1cccc(OCCn2c(C(C)C)nnc2N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)c1 ZINC001290080739 1061810642 /nfs/dbraw/zinc/81/06/42/1061810642.db2.gz OJLLMNKZYRABIR-NRFANRHFSA-N 0 0 454.619 2.922 20 0 JFADRN Cc1cccc2[nH]cc(CCn3c(N4CCN(C(=O)C(=O)NC(C)C)CC4)nnc3C(C)(C)C)c21 ZINC001290083494 1061811914 /nfs/dbraw/zinc/81/19/14/1061811914.db2.gz AJORICMEXTUEPN-UHFFFAOYSA-N 0 0 479.629 2.781 20 0 JFADRN CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC2CCOCC2)C1 ZINC001294316940 1061812026 /nfs/dbraw/zinc/81/20/26/1061812026.db2.gz IYCMRPNRGIDCPI-ICSRJNTNSA-N 0 0 483.617 2.873 20 0 JFADRN 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CC(C)[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2ccccc2F)C1 ZINC001287265434 1062741081 /nfs/dbraw/zinc/74/10/81/1062741081.db2.gz NSWLEIVCWPYDGZ-TZIWHRDSSA-N 0 0 479.622 2.865 20 0 JFADRN CC(C)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSCC(F)(F)F)CC1 ZINC001287265535 1062741216 /nfs/dbraw/zinc/74/12/16/1062741216.db2.gz QHLQOTQFADTWQR-MRXNPFEDSA-N 0 0 499.625 2.779 20 0 JFADRN CCCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CC(=O)N(C)[C@H](C)C2)cc1OC ZINC001294958729 1062741169 /nfs/dbraw/zinc/74/11/69/1062741169.db2.gz WVIQRXRIYMHLEW-QGZVFWFLSA-N 0 0 452.559 2.796 20 0 JFADRN CC(C)C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)N(C)C)CC1 ZINC001287265781 1062742350 /nfs/dbraw/zinc/74/23/50/1062742350.db2.gz VXHGUAKJNGOMGQ-GOSISDBHSA-N 0 0 464.611 2.547 20 0 JFADRN Cc1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1CCc1ccccc1OC(F)F ZINC001290858941 1062742654 /nfs/dbraw/zinc/74/26/54/1062742654.db2.gz XRBVZKZUJQOXRK-QGZVFWFLSA-N 0 0 462.545 2.564 20 0 JFADRN CCCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)OC)CC2)cc1OC ZINC001294960503 1062743023 /nfs/dbraw/zinc/74/30/23/1062743023.db2.gz RPLICHMTRXVFFN-LJQANCHMSA-N 0 0 473.574 2.906 20 0 JFADRN CCCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC=C(COC)CC2)cc1OC ZINC001294960204 1062743045 /nfs/dbraw/zinc/74/30/45/1062743045.db2.gz BPSNQPQMZKMOKF-IBGZPJMESA-N 0 0 455.559 2.858 20 0 JFADRN CCCOc1ccc(Cn2c(CC(C)C)nnc2N2CCC(C(=O)N3CCOCC3)CC2)cn1 ZINC001294961157 1062743433 /nfs/dbraw/zinc/74/34/33/1062743433.db2.gz VPAMGBWOLXPAFV-UHFFFAOYSA-N 0 0 470.618 2.784 20 0 JFADRN CCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2C[C@@H](OC)C(C)(C)C2)cc1OC ZINC001294961001 1062743567 /nfs/dbraw/zinc/74/35/67/1062743567.db2.gz DZOSZEFPWMUBBW-YLJYHZDGSA-N 0 0 457.575 2.936 20 0 JFADRN CC(C)[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCSC2(C)C)C1 ZINC001287265935 1062743812 /nfs/dbraw/zinc/74/38/12/1062743812.db2.gz YUIBSJDBCBDHDO-KZNAEPCWSA-N 0 0 471.693 2.625 20 0 JFADRN CCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)cn1 ZINC001294962048 1062743929 /nfs/dbraw/zinc/74/39/29/1062743929.db2.gz JAWIUGVQAAHNOE-DOTOQJQBSA-N 0 0 481.523 2.534 20 0 JFADRN CCCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](COC(C)C)C2)cc1 ZINC001294962375 1062744457 /nfs/dbraw/zinc/74/44/57/1062744457.db2.gz KJTVHEGUKFIENH-SFTDATJTSA-N 0 0 457.575 2.697 20 0 JFADRN CCCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCC(C(=O)OC)CC2)cn1 ZINC001294963813 1062745483 /nfs/dbraw/zinc/74/54/83/1062745483.db2.gz CNHDNTJCOIMNHS-UHFFFAOYSA-N 0 0 450.543 2.885 20 0 JFADRN CCCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(CCOC)C(=O)C2)cc1 ZINC001294963671 1062745571 /nfs/dbraw/zinc/74/55/71/1062745571.db2.gz UOBYSRRFCUBYKE-NRFANRHFSA-N 0 0 457.575 2.652 20 0 JFADRN Cc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001290863206 1062747136 /nfs/dbraw/zinc/74/71/36/1062747136.db2.gz BUOAJPDIDSMFJY-UHFFFAOYSA-N 0 0 463.586 2.770 20 0 JFADRN CC(C)(C)OC(=O)NCc1nc(CC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)cs1 ZINC001294966375 1062748241 /nfs/dbraw/zinc/74/82/41/1062748241.db2.gz CYNVYNGDPCBONN-UHFFFAOYSA-N 0 0 457.618 2.670 20 0 JFADRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(N3CCC(O)CC3)cc2)c(OC)c1 ZINC001294968043 1062749538 /nfs/dbraw/zinc/74/95/38/1062749538.db2.gz HDBOOGLSIOVKIN-JOCHJYFZSA-N 0 0 453.539 2.908 20 0 JFADRN COc1cc2[nH]c(CCCNC(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)cc2c(OC)c1 ZINC001294967920 1062749556 /nfs/dbraw/zinc/74/95/56/1062749556.db2.gz YNTFWLUTFUXMOL-INIZCTEOSA-N 0 0 459.568 2.909 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CCO1 ZINC001287274545 1062749975 /nfs/dbraw/zinc/74/99/75/1062749975.db2.gz RNZVBLGABQRZFW-MSOLQXFVSA-N 0 0 464.611 2.631 20 0 JFADRN CCCOc1ccc(Cn2c(COc3ccccc3F)nnc2N2CCNC(=O)[C@@H]2CC)cn1 ZINC001294968177 1062750179 /nfs/dbraw/zinc/75/01/79/1062750179.db2.gz HSPFFSKSSPFLJT-IBGZPJMESA-N 0 0 468.533 2.943 20 0 JFADRN O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)NCc1ccnc(OC2CCCC2)c1 ZINC001290867896 1062750792 /nfs/dbraw/zinc/75/07/92/1062750792.db2.gz WPKHZPVITJNMES-UHFFFAOYSA-N 0 0 452.555 2.974 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2ccccc2Cl)CCO1 ZINC001287274551 1062750761 /nfs/dbraw/zinc/75/07/61/1062750761.db2.gz RRMMBUMDIOIKIB-AUSIDOKSSA-N 0 0 461.994 2.936 20 0 JFADRN CCCOc1ccc(Cn2c(COc3ccccc3CC)nnc2N2CCNC(=O)C2)cn1 ZINC001294968768 1062751131 /nfs/dbraw/zinc/75/11/31/1062751131.db2.gz NGSBREHXGYFYIJ-UHFFFAOYSA-N 0 0 450.543 2.588 20 0 JFADRN CCCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC001294968989 1062751238 /nfs/dbraw/zinc/75/12/38/1062751238.db2.gz QYDYXWSODPOJKL-JOCHJYFZSA-N 0 0 486.642 2.990 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCCS2(=O)=O)CCS1 ZINC001287276702 1062751767 /nfs/dbraw/zinc/75/17/67/1062751767.db2.gz ANJBMYZTILDWDX-MRXNPFEDSA-N 0 0 471.052 2.607 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCO2)CCS1 ZINC001287276919 1062752987 /nfs/dbraw/zinc/75/29/87/1062752987.db2.gz FSCMYMFWIJNPNQ-QUCCMNQESA-N 0 0 479.672 2.952 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CCCn2cnnn2)CCO1 ZINC001287276833 1062753004 /nfs/dbraw/zinc/75/30/04/1062753004.db2.gz DADLCXZXJOKYCX-KRWDZBQOSA-N 0 0 479.358 2.785 20 0 JFADRN CCCOc1ccc(Cn2c(Nc3ccn(C)n3)nnc2[C@H]2CCS(=O)(=O)C2)cc1OC ZINC001294971507 1062753406 /nfs/dbraw/zinc/75/34/06/1062753406.db2.gz MXRKXQNPNYURBJ-INIZCTEOSA-N 0 0 460.560 2.503 20 0 JFADRN Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1CCCOc1ccccc1 ZINC001290869605 1062753678 /nfs/dbraw/zinc/75/36/78/1062753678.db2.gz KEULAPLFWUUMSH-IFMALSPDSA-N 0 0 454.619 2.873 20 0 JFADRN Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1CCOc1ccc(F)c(F)c1 ZINC001290869602 1062753786 /nfs/dbraw/zinc/75/37/86/1062753786.db2.gz KDFZCTAIDOSYKT-PKOBYXMFSA-N 0 0 476.572 2.761 20 0 JFADRN CCCOc1ccc(Cn2c(COCC)nnc2N2CCO[C@@](C)(c3cnn(C)c3)C2)cn1 ZINC001294972504 1062754845 /nfs/dbraw/zinc/75/48/45/1062754845.db2.gz VJPXYYFTLJKVAB-HSZRJFAPSA-N 0 0 455.563 2.532 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCNS(C)(=O)=O)CCO1 ZINC001287277683 1062754798 /nfs/dbraw/zinc/75/47/98/1062754798.db2.gz VLLDUBARUJEJJQ-NRFANRHFSA-N 0 0 489.598 2.528 20 0 JFADRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1ccc(CC(=O)NCCO)cc1 ZINC001294972691 1062755414 /nfs/dbraw/zinc/75/54/14/1062755414.db2.gz BERKYPCKKOJTEP-UHFFFAOYSA-N 0 0 457.328 2.847 20 0 JFADRN COC(=O)c1sc2c(c1Br)CN(C(=O)c1ccc(CS(C)(=O)=O)cc1)C2 ZINC001287279095 1062755637 /nfs/dbraw/zinc/75/56/37/1062755637.db2.gz DIEFIYMBSRIFKS-UHFFFAOYSA-N 0 0 458.355 2.998 20 0 JFADRN CCCOc1cccc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CC(=O)N(C)C[C@@H]2C)c1 ZINC001294972979 1062755648 /nfs/dbraw/zinc/75/56/48/1062755648.db2.gz AOEASMOZVGPJEC-LEDOBFOHSA-N 0 0 471.602 2.701 20 0 JFADRN CCCOc1ncccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001294972966 1062755750 /nfs/dbraw/zinc/75/57/50/1062755750.db2.gz AFTQNWKILXYPDK-FQEVSTJZSA-N 0 0 456.591 2.998 20 0 JFADRN CCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](Oc2ccccn2)C1 ZINC001294973146 1062756582 /nfs/dbraw/zinc/75/65/82/1062756582.db2.gz CLPJUKUBTRNNQF-IBGZPJMESA-N 0 0 465.558 2.701 20 0 JFADRN CCCOc1cccc(CCn2c(CC(C)C)nnc2N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 ZINC001294973155 1062756604 /nfs/dbraw/zinc/75/66/04/1062756604.db2.gz CSQAGJBKYTYBDI-UHFFFAOYSA-N 0 0 496.656 2.779 20 0 JFADRN O=C(c1cccc(O)c1)N1CCN(C(=O)c2cnc3ccc(Br)cc3c2O)CC1 ZINC001294973722 1062757521 /nfs/dbraw/zinc/75/75/21/1062757521.db2.gz KZPHKVADZBEHDK-UHFFFAOYSA-N 0 0 456.296 2.594 20 0 JFADRN CCCOc1ncccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001294973964 1062758172 /nfs/dbraw/zinc/75/81/72/1062758172.db2.gz IUULVWQREBJAOH-CALCHBBNSA-N 0 0 451.531 2.771 20 0 JFADRN Cc1nnc(N2CCN(Cc3cccc(Cl)c3)CC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001290873672 1062758978 /nfs/dbraw/zinc/75/89/78/1062758978.db2.gz HKEGRVNWIMALDQ-UHFFFAOYSA-N 0 0 452.024 2.920 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)(F)C(F)F)CCS1 ZINC001287284231 1062759009 /nfs/dbraw/zinc/75/90/09/1062759009.db2.gz WBXGELPVILKUDK-STQMWFEESA-N 0 0 453.506 2.724 20 0 JFADRN COc1c(N)c(C(=O)Nc2ccc(CC(=O)NCCO)cc2)cc(Cl)c1Br ZINC001294974464 1062759097 /nfs/dbraw/zinc/75/90/97/1062759097.db2.gz YBRREMBAUUXSGB-UHFFFAOYSA-N 0 0 456.724 2.597 20 0 JFADRN Cc1nnc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001290874989 1062759510 /nfs/dbraw/zinc/75/95/10/1062759510.db2.gz XHIQHRNJYDCVAK-KRWDZBQOSA-N 0 0 496.616 2.718 20 0 JFADRN CCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 ZINC001294975171 1062759518 /nfs/dbraw/zinc/75/95/18/1062759518.db2.gz XFYYDCZSOORMMF-UHFFFAOYSA-N 0 0 498.657 2.736 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(CS(C)(=O)=O)c2)CCO1 ZINC001287287463 1062761718 /nfs/dbraw/zinc/76/17/18/1062761718.db2.gz MXKBGOFAYZOABE-RTWAWAEBSA-N 0 0 462.616 2.626 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCn2ccnn2)CCO1 ZINC001287287926 1062762334 /nfs/dbraw/zinc/76/23/34/1062762334.db2.gz OYDDDSKIKTYEBO-HXUWFJFHSA-N 0 0 488.637 2.936 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(=O)NC(C)(C)C)CCO1 ZINC001287287759 1062762449 /nfs/dbraw/zinc/76/24/49/1062762449.db2.gz OFTCAMYFYHEHHT-VQTJNVASSA-N 0 0 457.575 2.957 20 0 JFADRN CCCOc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](C)C1 ZINC001294978981 1062762511 /nfs/dbraw/zinc/76/25/11/1062762511.db2.gz YYORQORVNCNWFO-DLBZAZTESA-N 0 0 450.609 2.747 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(O)CCOCC2)CCO1 ZINC001287288215 1062762970 /nfs/dbraw/zinc/76/29/70/1062762970.db2.gz QXKHESDQZSMKOE-FQEVSTJZSA-N 0 0 493.649 2.795 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC(F)F)CCO1 ZINC001287288202 1062763013 /nfs/dbraw/zinc/76/30/13/1062763013.db2.gz QSTZBUUECYFYGV-SFHVURJKSA-N 0 0 465.549 2.595 20 0 JFADRN CCOc1cc(C)ccc1CNC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC001294980197 1062763123 /nfs/dbraw/zinc/76/31/23/1062763123.db2.gz OXULBQPUOBBAKI-UHFFFAOYSA-N 0 0 452.598 2.778 20 0 JFADRN 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C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2nccc(C(F)F)n2)CC(=O)N1C ZINC001291260967 1063555388 /nfs/dbraw/zinc/55/53/88/1063555388.db2.gz SAHYOVIDZIVQGT-ZDUSSCGKSA-N 0 0 461.904 2.965 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)N2CCOCC2)CC(C)(C)O1 ZINC001291261175 1063555730 /nfs/dbraw/zinc/55/57/30/1063555730.db2.gz WCFNZTRZVZCJSJ-QGZVFWFLSA-N 0 0 461.994 2.775 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCn2cncn2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291261322 1063556843 /nfs/dbraw/zinc/55/68/43/1063556843.db2.gz ZADXBFALPWTJRG-KXBFYZLASA-N 0 0 488.543 2.788 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@]2(C)COCCO2)CCN1CC(F)(F)F ZINC001291261620 1063557384 /nfs/dbraw/zinc/55/73/84/1063557384.db2.gz FNIKZDNBDNDMJZ-KKSFZXQISA-N 0 0 471.499 2.886 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCOC(F)F)C[C@H]1N1CCOCC1 ZINC001291262014 1063558627 /nfs/dbraw/zinc/55/86/27/1063558627.db2.gz LLXIEXHUVYGVLI-VQIMIIECSA-N 0 0 453.509 2.794 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC2([S@](C)=O)CC2)CCN1C(=O)OC(C)(C)C ZINC001291263163 1063561408 /nfs/dbraw/zinc/56/14/08/1063561408.db2.gz GIZURXPVQBBVFW-JSRFKQPZSA-N 0 0 474.631 2.621 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC(C)(C)O1 ZINC001291262992 1063561447 /nfs/dbraw/zinc/56/14/47/1063561447.db2.gz CULJFOAEHVZIIC-AEFFLSMTSA-N 0 0 468.524 2.531 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)C2CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291263761 1063562292 /nfs/dbraw/zinc/56/22/92/1063562292.db2.gz QMJYNIFJSBVRGY-SWWFSWNPSA-N 0 0 456.591 2.774 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)C2CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291263759 1063562307 /nfs/dbraw/zinc/56/23/07/1063562307.db2.gz QMJYNIFJSBVRGY-LNZPYGSCSA-N 0 0 456.591 2.774 20 0 JFADRN CC(C)(C)n1ncc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2O)c1Br ZINC001295524479 1063562593 /nfs/dbraw/zinc/56/25/93/1063562593.db2.gz WCTVITCNMZMNSB-UHFFFAOYSA-N 0 0 457.350 2.799 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCN2CCOC(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001291264560 1063563847 /nfs/dbraw/zinc/56/38/47/1063563847.db2.gz FHDUHRHVGUWJPK-AEFFLSMTSA-N 0 0 468.524 2.531 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CC2([S@@](C)=O)CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291264635 1063564073 /nfs/dbraw/zinc/56/40/73/1063564073.db2.gz GMABJYKUJCAPNK-SZBYFXKWSA-N 0 0 474.631 2.524 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CCCO1 ZINC001291265404 1063566715 /nfs/dbraw/zinc/56/67/15/1063566715.db2.gz UDCVJUOMQQHILF-PKOBYXMFSA-N 0 0 468.524 2.532 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC2(C(=O)N(C)C)CCCC2)CCN1CC(F)(F)F ZINC001291266074 1063567605 /nfs/dbraw/zinc/56/76/05/1063567605.db2.gz GUWHZDUGBHMINP-GOSISDBHSA-N 0 0 493.578 2.985 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)Cc2ccccc2)CCS1 ZINC001291266514 1063569114 /nfs/dbraw/zinc/56/91/14/1063569114.db2.gz NIRLEHXNQONDGY-SFHVURJKSA-N 0 0 457.625 2.821 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3cccnc3)n2CC[C@H](C(F)F)N2CCOCC2)CC(C)(C)O1 ZINC001291266623 1063569583 /nfs/dbraw/zinc/56/95/83/1063569583.db2.gz POCISLDSCDKAHG-PKOBYXMFSA-N 0 0 464.561 2.624 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCNC(=O)OC(C)(C)C)CC2(CCOCC2)O1 ZINC001291267186 1063569928 /nfs/dbraw/zinc/56/99/28/1063569928.db2.gz ALLCZGFFAUNTMJ-IBGZPJMESA-N 0 0 486.617 2.953 20 0 JFADRN CCOC(=O)[C@H](C)[C@@H](C)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C ZINC001295538452 1063574253 /nfs/dbraw/zinc/57/42/53/1063574253.db2.gz LHBIRRXGLYDINU-NUJGCVRESA-N 0 0 450.532 2.717 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)CC2CC2)CCN1CC(F)(F)F ZINC001291269599 1063574949 /nfs/dbraw/zinc/57/49/49/1063574949.db2.gz RZSPQHMNHVEBQH-HNNXBMFYSA-N 0 0 491.605 2.828 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)CC2CC2)CCN1CC(F)(F)F ZINC001291269600 1063575367 /nfs/dbraw/zinc/57/53/67/1063575367.db2.gz RZSPQHMNHVEBQH-OAHLLOKOSA-N 0 0 491.605 2.828 20 0 JFADRN C[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291271764 1063576765 /nfs/dbraw/zinc/57/67/65/1063576765.db2.gz GOUJCWFJQWMBHJ-NZSAHSFTSA-N 0 0 481.663 2.795 20 0 JFADRN C[C@H]1CN(c2nnc(CC3CCCC3)n2Cc2ccc(C(N)=O)nc2)C[C@@H](C(F)(F)F)O1 ZINC001291271901 1063576858 /nfs/dbraw/zinc/57/68/58/1063576858.db2.gz IWOKPKREVMFYBK-GUYCJALGSA-N 0 0 452.481 2.709 20 0 JFADRN C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCCS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC001291273413 1063578499 /nfs/dbraw/zinc/57/84/99/1063578499.db2.gz IYAIVLPNYKLPDZ-IBGZPJMESA-N 0 0 491.658 2.944 20 0 JFADRN C[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H]2COCCO2)CCN1CC(F)(F)F ZINC001291273715 1063578852 /nfs/dbraw/zinc/57/88/52/1063578852.db2.gz NOKITGRWXRFFHL-PKOBYXMFSA-N 0 0 453.509 2.552 20 0 JFADRN C[C@H](C[C@H](C)O)NC(=O)c1cc(I)ccc1I ZINC001295544457 1063579361 /nfs/dbraw/zinc/57/93/61/1063579361.db2.gz NGHNVQURWIFCFJ-SFYZADRCSA-N 0 0 459.065 2.785 20 0 JFADRN C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC[C@@H](C(F)F)N2CCOCC2)C[C@H](C)O1 ZINC001291274670 1063580372 /nfs/dbraw/zinc/58/03/72/1063580372.db2.gz FAKKBYLQGVQXGP-ZVDOUQERSA-N 0 0 479.572 2.869 20 0 JFADRN C[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CC(=O)N(C)[C@@H](C)C1)N(C)C(=O)OC(C)(C)C ZINC001291274861 1063580855 /nfs/dbraw/zinc/58/08/55/1063580855.db2.gz JBXFEIKLTAEARQ-OALUTQOASA-N 0 0 486.617 2.822 20 0 JFADRN C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCCN2CCCCC2=O)CC(=O)N1C ZINC001291274806 1063580904 /nfs/dbraw/zinc/58/09/04/1063580904.db2.gz HVAKYGCQNJBJEY-FQEVSTJZSA-N 0 0 452.603 2.523 20 0 JFADRN C[C@@H]1OCC[C@@]1(O)Cn1c(CCOc2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001291275120 1063582429 /nfs/dbraw/zinc/58/24/29/1063582429.db2.gz MVKYFVCDGATICH-KGVIQGDOSA-N 0 0 483.535 2.512 20 0 JFADRN C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC2([S@](C)=O)CC2)C[C@H](C(F)(F)F)O1 ZINC001291275429 1063582976 /nfs/dbraw/zinc/58/29/76/1063582976.db2.gz RFGLKECEPOUCPW-NGDUDCLGSA-N 0 0 472.533 2.967 20 0 JFADRN C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCCNS(C)(=O)=O)C[C@H](C)S1 ZINC001291275545 1063583401 /nfs/dbraw/zinc/58/34/01/1063583401.db2.gz UEJNSGXWVGJJKZ-ROUUACIJSA-N 0 0 451.662 2.723 20 0 JFADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NC2CCCCC2)CCS1 ZINC001291276052 1063584832 /nfs/dbraw/zinc/58/48/32/1063584832.db2.gz FHRPSWKITLMDKG-OAHLLOKOSA-N 0 0 462.645 2.660 20 0 JFADRN C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(Cl)cn2)C[C@H](C)S1 ZINC001291276189 1063585224 /nfs/dbraw/zinc/58/52/24/1063585224.db2.gz HTUJSBAQDLSSJF-GJZGRUSLSA-N 0 0 450.996 2.858 20 0 JFADRN C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCS[C@H](C)C1)N(C)C(=O)OC(C)(C)C ZINC001291276159 1063585312 /nfs/dbraw/zinc/58/53/12/1063585312.db2.gz HHDUCBBCAKDYMM-JKSUJKDBSA-N 0 0 452.625 2.598 20 0 JFADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1C ZINC001291276386 1063586066 /nfs/dbraw/zinc/58/60/66/1063586066.db2.gz LBEASYSBTMYARQ-HUUCEWRRSA-N 0 0 452.481 2.877 20 0 JFADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCOCC(F)(F)C(F)F)C[C@H](C)S1 ZINC001291276519 1063586582 /nfs/dbraw/zinc/58/65/82/1063586582.db2.gz NLPOEFOKSNNEPE-BETUJISGSA-N 0 0 453.506 2.648 20 0 JFADRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC3(c4ncon4)CCOCC3)cc2)c1 ZINC001295556764 1063590437 /nfs/dbraw/zinc/59/04/37/1063590437.db2.gz GTWLJQNWYRLFQG-UHFFFAOYSA-N 0 0 456.524 2.923 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CCN2CCOC[C@H]2C)C[C@H](C)O1 ZINC001291277409 1063590459 /nfs/dbraw/zinc/59/04/59/1063590459.db2.gz CIVXVHPTGONKNN-KURKYZTESA-N 0 0 494.434 2.954 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCC[C@H](O)C2)CC(=O)N1C ZINC001291277506 1063591236 /nfs/dbraw/zinc/59/12/36/1063591236.db2.gz FGGTZEPMTOAPHV-RYRKJORJSA-N 0 0 492.418 2.838 20 0 JFADRN C[C@@H]1OCC[C@@]12CN(c1nnc(CNC(=O)c3cccs3)n1CCCOC(F)F)C[C@@H](C)O2 ZINC001291277588 1063591756 /nfs/dbraw/zinc/59/17/56/1063591756.db2.gz GLEMQPVXUXLUIH-LRAJWGHMSA-N 0 0 485.557 2.672 20 0 JFADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC2([S@@](C)=O)CCC2)C[C@H](C)S1 ZINC001291277703 1063592364 /nfs/dbraw/zinc/59/23/64/1063592364.db2.gz IGQYZRDFAQNDRH-FIXAZDJUSA-N 0 0 467.686 2.901 20 0 JFADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C[C@H]1C ZINC001291277888 1063593194 /nfs/dbraw/zinc/59/31/94/1063593194.db2.gz LVAPLOOZSBVHGH-NUJGCVRESA-N 0 0 484.601 2.845 20 0 JFADRN CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)C(C)(C)C1 ZINC001295560075 1063593364 /nfs/dbraw/zinc/59/33/64/1063593364.db2.gz QGFKDILJMJCKPZ-QZTJIDSGSA-N 0 0 457.637 2.733 20 0 JFADRN C[C@@H]1OCC[C@]12CN(c1nnc(CNC(=O)c3cccs3)n1CCCOCC(F)F)C[C@@H](C)O2 ZINC001291278011 1063594097 /nfs/dbraw/zinc/59/40/97/1063594097.db2.gz OIQRBDZEHSQCDV-VVBPWWLESA-N 0 0 499.584 2.714 20 0 JFADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C[S@@](C)=O)cc2)C[C@@H](C)O1 ZINC001291278237 1063594572 /nfs/dbraw/zinc/59/45/72/1063594572.db2.gz RQEOVMQQJAWHGL-FHCXTVKWSA-N 0 0 487.651 2.810 20 0 JFADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)c2ccco2)CC(C)(C)O1 ZINC001291278163 1063594676 /nfs/dbraw/zinc/59/46/76/1063594676.db2.gz QNQBNMDZPUQAGF-IVZQSRNASA-N 0 0 459.572 2.774 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@@]2(O)CCOC2)C[C@H]1C ZINC001291278374 1063595604 /nfs/dbraw/zinc/59/56/04/1063595604.db2.gz UYLSUBWSHVDDME-SXGZJXTBSA-N 0 0 451.365 2.863 20 0 JFADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCO[C@@H]2CCOC2)C[C@H](C)S1 ZINC001291278598 1063596386 /nfs/dbraw/zinc/59/63/86/1063596386.db2.gz YRWWDQZQDCXTLM-IXDOHACOSA-N 0 0 465.645 2.795 20 0 JFADRN C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(S(C)(=O)=O)cc2)CCS1 ZINC001291278618 1063596958 /nfs/dbraw/zinc/59/69/58/1063596958.db2.gz ZCHHNJQNSDFGLV-HNNXBMFYSA-N 0 0 491.664 2.663 20 0 JFADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCO[C@H]2CCOC2)C[C@@H](C)S1 ZINC001291278599 1063596993 /nfs/dbraw/zinc/59/69/93/1063596993.db2.gz YRWWDQZQDCXTLM-ZACQAIPSSA-N 0 0 465.645 2.795 20 0 JFADRN C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC2(C(=O)N(C)C)CCCC2)CCS1 ZINC001291278600 1063597032 /nfs/dbraw/zinc/59/70/32/1063597032.db2.gz 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CC[C@@H](C)c1nnc(N2CCC3(CNC(=O)C3)CC2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001291519291 1064071502 /nfs/dbraw/zinc/07/15/02/1064071502.db2.gz AFIVVCMPMLTTCQ-GOSISDBHSA-N 0 0 452.603 2.843 20 0 JFADRN CC[C@@H](C)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC001291520624 1064072537 /nfs/dbraw/zinc/07/25/37/1064072537.db2.gz XETNPTKZRUXOPS-ICBNADEASA-N 0 0 481.663 2.918 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1Cc1cccc(Br)n1 ZINC001291520792 1064072903 /nfs/dbraw/zinc/07/29/03/1064072903.db2.gz AVESQOZTVRKGQA-ZDUSSCGKSA-N 0 0 476.379 2.518 20 0 JFADRN CCN1C[C@@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CCCS(C)(=O)=O)C[C@@H]1C ZINC001296012556 1064073148 /nfs/dbraw/zinc/07/31/48/1064073148.db2.gz YWZMSCRXEAFCHJ-RBUKOAKNSA-N 0 0 458.632 2.635 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC3(COC(=O)N3)CC2)n1CCCn1cc(Br)cn1 ZINC001291521881 1064073599 /nfs/dbraw/zinc/07/35/99/1064073599.db2.gz VBLWGWOCEOFDEM-AWEZNQCLSA-N 0 0 466.384 2.920 20 0 JFADRN 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ZTHFWELMGANJGZ-VWLOTQADSA-N 0 0 468.602 2.545 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCCn1cccn1 ZINC001292072980 1064751199 /nfs/dbraw/zinc/75/11/99/1064751199.db2.gz AJTIOWFRFKMWFC-UHFFFAOYSA-N 0 0 465.606 2.507 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1C[C@@H]1CCC=CO1 ZINC001292073342 1064751603 /nfs/dbraw/zinc/75/16/03/1064751603.db2.gz DLDDGKIRMRSSFJ-IBGZPJMESA-N 0 0 453.591 2.913 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)cc(F)c3C2)n1CCc1n[nH]c(C)n1 ZINC001292073794 1064752555 /nfs/dbraw/zinc/75/25/55/1064752555.db2.gz ITHAHADYMIKQGO-UHFFFAOYSA-N 0 0 458.517 2.707 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3[C@H]2C)n1CCS(C)(=O)=O ZINC001292073916 1064753026 /nfs/dbraw/zinc/75/30/26/1064753026.db2.gz LEOHIXQHTBQXLV-CYBMUJFWSA-N 0 0 469.558 2.643 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(cccc3OC)C2)n1CCN1CCSCC1 ZINC001292074231 1064753814 /nfs/dbraw/zinc/75/38/14/1064753814.db2.gz NKJQQNWWJKESID-UHFFFAOYSA-N 0 0 472.659 2.817 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CCOC3)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001292074234 1064753856 /nfs/dbraw/zinc/75/38/56/1064753856.db2.gz BWBMLTNDJCAIKY-RUZDIDTESA-N 0 0 483.617 2.955 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(F)ccc(F)c3C2)n1CC1CCS(=O)(=O)CC1 ZINC001292074148 1064753875 /nfs/dbraw/zinc/75/38/75/1064753875.db2.gz BDUCAJZULRLQJY-UHFFFAOYSA-N 0 0 495.596 2.862 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3C2)n1CC1(S(C)(=O)=O)CC1 ZINC001292074681 1064754042 /nfs/dbraw/zinc/75/40/42/1064754042.db2.gz POOXTQOTFJQIFD-UHFFFAOYSA-N 0 0 481.569 2.615 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(F)ccc(F)c3C2)n1C[C@@H](C)N1CCOCC1 ZINC001292076027 1064756826 /nfs/dbraw/zinc/75/68/26/1064756826.db2.gz KGSUSATVTWOCGO-MRXNPFEDSA-N 0 0 476.572 2.758 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CCOC3)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001292076184 1064757042 /nfs/dbraw/zinc/75/70/42/1064757042.db2.gz LWKYKLNSGIDEFP-MHPIHPPYSA-N 0 0 476.666 2.701 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCCOc1ccccc1C ZINC001292077493 1064759584 /nfs/dbraw/zinc/75/95/84/1064759584.db2.gz YTGZRSVKZJKGJI-RUZDIDTESA-N 0 0 468.602 2.690 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC=C(Br)C2)n1CC1([S@](C)=O)CC1 ZINC001292078418 1064760704 /nfs/dbraw/zinc/76/07/04/1064760704.db2.gz GSGGFICAHBXCOX-MHZLTWQESA-N 0 0 458.426 2.597 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1C[C@](C)(O)C1CCCCC1 ZINC001292078480 1064761339 /nfs/dbraw/zinc/76/13/39/1064761339.db2.gz IHNMDPUITXJZLW-IXFSTUDKSA-N 0 0 463.579 2.642 20 0 JFADRN NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001292079228 1064762302 /nfs/dbraw/zinc/76/23/02/1064762302.db2.gz BHIXDRUXSCQGKK-QNWVGRARSA-N 0 0 453.539 2.831 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H]3OC(=O)O[C@@H]3C2)n1Cc1cccc(C(C)(C)O)c1 ZINC001292080206 1064763547 /nfs/dbraw/zinc/76/35/47/1064763547.db2.gz VPPCFMVSZGKJSC-RTBURBONSA-N 0 0 471.558 2.586 20 0 JFADRN Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N2CC(C)(C)[C@H]2c2ccccc2)cc1C ZINC001292081088 1064763589 /nfs/dbraw/zinc/76/35/89/1064763589.db2.gz XCLGHKGVTJFXNB-IFMALSPDSA-N 0 0 457.596 2.826 20 0 JFADRN COC(=O)N(C)c1ccc(NC(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001292081296 1064763986 /nfs/dbraw/zinc/76/39/86/1064763986.db2.gz ZJKXDIWCSIFQEY-HKBQPEDESA-N 0 0 453.561 2.976 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CCOC ZINC001292084926 1064766946 /nfs/dbraw/zinc/76/69/46/1064766946.db2.gz KIBGXYLMIVWPMR-OAHLLOKOSA-N 0 0 477.997 2.746 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC)C2)n1C[C@@H](C)Oc1ccccc1F ZINC001292084961 1064767438 /nfs/dbraw/zinc/76/74/38/1064767438.db2.gz KTLYIZRQWMMDOI-SJORKVTESA-N 0 0 474.581 2.766 20 0 JFADRN COc1ccc(-n2ccc(CNC(=O)[C@H]3COCCN3C(=O)OCc3ccccc3)n2)cc1 ZINC001292084990 1064767453 /nfs/dbraw/zinc/76/74/53/1064767453.db2.gz XPCVWTNOKXYTGI-JOCHJYFZSA-N 0 0 450.495 2.535 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC1(C)Cc2ccccc2C1 ZINC001292085506 1064767979 /nfs/dbraw/zinc/76/79/79/1064767979.db2.gz MPXPMEANINGSAF-IBGZPJMESA-N 0 0 452.603 2.703 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1Cc1ccc(-n2cncn2)nc1 ZINC001292085580 1064768054 /nfs/dbraw/zinc/76/80/54/1064768054.db2.gz PXXMZRCCVBCVJF-UHFFFAOYSA-N 0 0 451.579 2.847 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC(=O)NCc1ccco1 ZINC001292085838 1064768337 /nfs/dbraw/zinc/76/83/37/1064768337.db2.gz OURZFHLVFMOVKA-CQSZACIVSA-N 0 0 452.506 2.587 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@@H](C)CN1CCOCC1 ZINC001292086780 1064770134 /nfs/dbraw/zinc/77/01/34/1064770134.db2.gz WJYGZNHVFYVKRX-DLBZAZTESA-N 0 0 474.572 2.944 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1Cc1ccn(C)n1 ZINC001292086867 1064770550 /nfs/dbraw/zinc/77/05/50/1064770550.db2.gz XYPIGOGLWYIDDW-SFHVURJKSA-N 0 0 493.616 2.537 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1C[C@H](OC)c1ccc(F)cc1 ZINC001292087575 1064770831 /nfs/dbraw/zinc/77/08/31/1064770831.db2.gz ABDJMWJDYNWYPY-RTWAWAEBSA-N 0 0 474.581 2.828 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3nc(C)cc3C)C2)n1CCC(=O)NC(C)C ZINC001292089129 1064773118 /nfs/dbraw/zinc/77/31/18/1064773118.db2.gz IOPIGQQXHGQSGV-HXUWFJFHSA-N 0 0 472.638 2.766 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1CC[C@H]1CCOC1 ZINC001292089513 1064774027 /nfs/dbraw/zinc/77/40/27/1064774027.db2.gz LEGCEXDIQDMTSU-ICSRJNTNSA-N 0 0 458.611 2.673 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3cncn3)C2)n1CCSCC(F)(F)F ZINC001292089710 1064774447 /nfs/dbraw/zinc/77/44/47/1064774447.db2.gz MUKXRKLREJWIQR-HNNXBMFYSA-N 0 0 474.557 2.925 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1Cc1ccc(Cl)nc1 ZINC001292090513 1064775556 /nfs/dbraw/zinc/77/55/56/1064775556.db2.gz PQDTUABDJPSOAD-GOSISDBHSA-N 0 0 474.009 2.884 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@@H]1OCCC1(C)C ZINC001292090535 1064775928 /nfs/dbraw/zinc/77/59/28/1064775928.db2.gz PYHWSADCGQCQJL-MOPGFXCFSA-N 0 0 462.639 2.753 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CC[C@@H]1CCOC1 ZINC001292090526 1064776035 /nfs/dbraw/zinc/77/60/35/1064776035.db2.gz PWAKPCFPVNHTEL-IEBWSBKVSA-N 0 0 462.639 2.754 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1Cc1cnn(C)c1C ZINC001292090684 1064776468 /nfs/dbraw/zinc/77/64/68/1064776468.db2.gz ALUMGCRILNCQPI-KRWDZBQOSA-N 0 0 471.528 2.834 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1C[C@](C)(O)[C@@H](C)CC ZINC001292090899 1064776803 /nfs/dbraw/zinc/77/68/03/1064776803.db2.gz RDWXZTGZTYBYFQ-KDLAUNOPSA-N 0 0 462.639 2.585 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3cncn3)C2)n1CCCn1nc(C)cc1C ZINC001292091404 1064778608 /nfs/dbraw/zinc/77/86/08/1064778608.db2.gz VBEHURMVDGEUJE-FQEVSTJZSA-N 0 0 468.610 2.533 20 0 JFADRN CC1(C)CCN(c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)CCS1(=O)=O ZINC001307114119 1064779085 /nfs/dbraw/zinc/77/90/85/1064779085.db2.gz YIZHQUCCCAMVGN-UHFFFAOYSA-N 0 0 450.870 2.703 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001292093037 1064781354 /nfs/dbraw/zinc/78/13/54/1064781354.db2.gz DBHKGGMFEJVLEL-AVRWGWEMSA-N 0 0 488.608 2.596 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1Cc1ccccc1C ZINC001292093514 1064782161 /nfs/dbraw/zinc/78/21/61/1064782161.db2.gz DTAIQHZACAMXFA-IBGZPJMESA-N 0 0 490.674 2.661 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nnc4n3CCC4)C2)n1C[C@@H](OC)C(C)C ZINC001292093521 1064782176 /nfs/dbraw/zinc/78/21/76/1064782176.db2.gz DXDQJGSISUZQRK-PKOBYXMFSA-N 0 0 472.638 2.789 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CCCn1ccnc1C ZINC001292093959 1064782836 /nfs/dbraw/zinc/78/28/36/1064782836.db2.gz HBYFNCOCQJGXKJ-LJQANCHMSA-N 0 0 467.622 2.909 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1CC1(C(N)=O)CCCC1 ZINC001292094185 1064783260 /nfs/dbraw/zinc/78/32/60/1064783260.db2.gz IHFHIBGGTIRLFG-RTBURBONSA-N 0 0 474.650 2.885 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1C[C@H]1CC(F)(F)CO1 ZINC001292094256 1064783990 /nfs/dbraw/zinc/78/39/90/1064783990.db2.gz JMKADKNPSWSXTN-GDBMZVCRSA-N 0 0 467.521 2.696 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1C[C@@H]1CC(F)(F)CO1 ZINC001292094259 1064784038 /nfs/dbraw/zinc/78/40/38/1064784038.db2.gz JMKADKNPSWSXTN-ZBFHGGJFSA-N 0 0 467.521 2.696 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1CCN1CCSCC1 ZINC001292094755 1064785467 /nfs/dbraw/zinc/78/54/67/1064785467.db2.gz PFLPYOYOGCIPOM-WOJBJXKFSA-N 0 0 478.707 2.888 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Cc3noc(C)n3)C2)n1C[C@](C)(O)c1ccco1 ZINC001292094886 1064785997 /nfs/dbraw/zinc/78/59/97/1064785997.db2.gz PUMWSIXSLUESPH-OSPHWJPCSA-N 0 0 485.589 2.848 20 0 JFADRN 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CCC[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cnn(C)c1 ZINC001293802320 1066312440 /nfs/dbraw/zinc/31/24/40/1066312440.db2.gz OGJNDXKWBXBJGL-LJQANCHMSA-N 0 0 450.385 2.967 20 0 JFADRN CCC[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001293802347 1066312623 /nfs/dbraw/zinc/31/26/23/1066312623.db2.gz OQQFMTDPMOXFGW-HRAATJIYSA-N 0 0 494.438 2.638 20 0 JFADRN CCC[C@](C)(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001293802764 1066313219 /nfs/dbraw/zinc/31/32/19/1066313219.db2.gz SLRAFCFMTTVBQR-QFIPXVFZSA-N 0 0 457.966 2.736 20 0 JFADRN CCC[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001293807786 1066317839 /nfs/dbraw/zinc/31/78/39/1066317839.db2.gz VKZDTKGESQDJDG-LPHOPBHVSA-N 0 0 476.521 2.667 20 0 JFADRN CCC[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC001293808026 1066318434 /nfs/dbraw/zinc/31/84/34/1066318434.db2.gz DCFXOGSLTREWNC-NLFFAJNJSA-N 0 0 484.601 2.924 20 0 JFADRN CCC[C@@](C)(O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001293808692 1066319151 /nfs/dbraw/zinc/31/91/51/1066319151.db2.gz ZLGOMLRRUPTANJ-XMMPIXPASA-N 0 0 455.559 2.974 20 0 JFADRN CCC[C@](C)(O)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 ZINC001293808773 1066319457 /nfs/dbraw/zinc/31/94/57/1066319457.db2.gz HDJOLUNEPMBRQU-OXTHUFEASA-N 0 0 462.392 2.974 20 0 JFADRN CCC[C@@](C)(O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001293810773 1066321482 /nfs/dbraw/zinc/32/14/82/1066321482.db2.gz ZFZOUKGNQJLGGA-XMMPIXPASA-N 0 0 457.575 2.920 20 0 JFADRN CCC[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCCN(c2nc(CC)ns2)CC1 ZINC001293812960 1066321906 /nfs/dbraw/zinc/32/19/06/1066321906.db2.gz NKKUNXYQJDTNPM-JOCHJYFZSA-N 0 0 458.636 2.965 20 0 JFADRN CCC[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001293812071 1066321935 /nfs/dbraw/zinc/32/19/35/1066321935.db2.gz HRYDOXYKIFOAMZ-QHCPKHFHSA-N 0 0 463.026 2.796 20 0 JFADRN CCC[C@@](C)(O)Cn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001293813859 1066322083 /nfs/dbraw/zinc/32/20/83/1066322083.db2.gz RHIJWPMFNLQTMB-XMMPIXPASA-N 0 0 484.626 2.543 20 0 JFADRN CCC[C@](C)(O)Cn1c(-c2cccn2C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O ZINC001293813366 1066322347 /nfs/dbraw/zinc/32/23/47/1066322347.db2.gz PZVSPZTZIURZJM-DEOSSOPVSA-N 0 0 450.543 2.567 20 0 JFADRN CCC[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001293814828 1066322522 /nfs/dbraw/zinc/32/25/22/1066322522.db2.gz ZMMFXZRBDOVEMW-WMZHIEFXSA-N 0 0 461.994 2.977 20 0 JFADRN CCC[C@@](C)(O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 ZINC001293814615 1066322608 /nfs/dbraw/zinc/32/26/08/1066322608.db2.gz VTSKCJZJVDNCER-IQGLISFBSA-N 0 0 481.601 2.902 20 0 JFADRN CCC[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001293816918 1066323549 /nfs/dbraw/zinc/32/35/49/1066323549.db2.gz FXIGKDHTSTVVCM-CPHAMLGRSA-N 0 0 495.628 2.627 20 0 JFADRN CCC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 ZINC001293817076 1066324154 /nfs/dbraw/zinc/32/41/54/1066324154.db2.gz FEWIUDXWDBALRJ-HSZRJFAPSA-N 0 0 456.566 2.943 20 0 JFADRN CCC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001293818034 1066324714 /nfs/dbraw/zinc/32/47/14/1066324714.db2.gz JYXJTKYJBXNXJL-MHECFPHRSA-N 0 0 474.606 2.930 20 0 JFADRN CCC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001293818809 1066325805 /nfs/dbraw/zinc/32/58/05/1066325805.db2.gz AJCMEDRMCLLGTQ-CYFREDJKSA-N 0 0 457.623 2.882 20 0 JFADRN CCC[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@H](COC)C1 ZINC001293818667 1066325958 /nfs/dbraw/zinc/32/59/58/1066325958.db2.gz LZUTUXZOPBPIOG-XDHUDOTRSA-N 0 0 454.575 2.606 20 0 JFADRN CCC[C@@](C)(O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001293818825 1066326226 /nfs/dbraw/zinc/32/62/26/1066326226.db2.gz AMMOQKLEOKUAQW-WZONZLPQSA-N 0 0 499.678 2.567 20 0 JFADRN CCC[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC001293819008 1066326771 /nfs/dbraw/zinc/32/67/71/1066326771.db2.gz KFYXXRVCAYPZPI-SBUREZEXSA-N 0 0 472.594 2.627 20 0 JFADRN CCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC001293819721 1066326984 /nfs/dbraw/zinc/32/69/84/1066326984.db2.gz PUTKFBKTURAMGG-MTJJIEKYSA-N 0 0 470.574 2.934 20 0 JFADRN CCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC001293819729 1066327001 /nfs/dbraw/zinc/32/70/01/1066327001.db2.gz PUTKFBKTURAMGG-XKPFWTEKSA-N 0 0 470.574 2.934 20 0 JFADRN CCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC001293819726 1066327084 /nfs/dbraw/zinc/32/70/84/1066327084.db2.gz PUTKFBKTURAMGG-WVCKHHOPSA-N 0 0 470.574 2.934 20 0 JFADRN CCC[C@](C)(O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001293820475 1066327873 /nfs/dbraw/zinc/32/78/73/1066327873.db2.gz OAVIJRCZVZZGDH-OFNKIYASSA-N 0 0 472.615 2.695 20 0 JFADRN CCC[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC001293820527 1066327977 /nfs/dbraw/zinc/32/79/77/1066327977.db2.gz PJEXZULHVLZHEF-MHECFPHRSA-N 0 0 451.575 2.942 20 0 JFADRN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(Br)c(C)[nH]c1=O ZINC001293821307 1066328434 /nfs/dbraw/zinc/32/84/34/1066328434.db2.gz YZXKYRAVCXGIQE-UHFFFAOYSA-N 0 0 458.334 2.759 20 0 JFADRN CCC[C@](C)(O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCC(=O)NC ZINC001293821658 1066329037 /nfs/dbraw/zinc/32/90/37/1066329037.db2.gz JGDFZCYEUGMZCR-QHCPKHFHSA-N 0 0 466.627 2.516 20 0 JFADRN CCC[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 ZINC001293821729 1066329111 /nfs/dbraw/zinc/32/91/11/1066329111.db2.gz JSGHNFSSAUYINM-ATIYNZHBSA-N 0 0 469.630 2.923 20 0 JFADRN CCC[C@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001293822093 1066329744 /nfs/dbraw/zinc/32/97/44/1066329744.db2.gz LQEPCLQEBCGNLA-OFVILXPXSA-N 0 0 487.649 2.633 20 0 JFADRN CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC001293822555 1066330579 /nfs/dbraw/zinc/33/05/79/1066330579.db2.gz XMZAVALEHNPYHX-NVQXNPDNSA-N 0 0 477.613 2.548 20 0 JFADRN CCC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC001293822552 1066330620 /nfs/dbraw/zinc/33/06/20/1066330620.db2.gz XMZAVALEHNPYHX-ATIYNZHBSA-N 0 0 477.613 2.548 20 0 JFADRN CCC[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001293822843 1066330842 /nfs/dbraw/zinc/33/08/42/1066330842.db2.gz VMMFFHMUVXLFGY-QHCPKHFHSA-N 0 0 469.977 2.902 20 0 JFADRN CCC[C@](C)(O)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC001293823017 1066331495 /nfs/dbraw/zinc/33/14/95/1066331495.db2.gz LZRSKHUKHYDOBL-CZSZKKDXSA-N 0 0 462.683 2.845 20 0 JFADRN CCC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(COC)o1 ZINC001293823855 1066332333 /nfs/dbraw/zinc/33/23/33/1066332333.db2.gz PVJZVCFLXNGIJB-ZJBJCVSYSA-N 0 0 466.604 2.812 20 0 JFADRN CCC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC001293824254 1066332618 /nfs/dbraw/zinc/33/26/18/1066332618.db2.gz TVXDQGGMBLUACG-DBBLALLESA-N 0 0 462.616 2.698 20 0 JFADRN CCC[C@@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(F)cc1)C(C)C ZINC001293824241 1066332679 /nfs/dbraw/zinc/33/26/79/1066332679.db2.gz SYJFONPTIBUMHE-NZQKXSOJSA-N 0 0 497.637 2.716 20 0 JFADRN CCC[C@@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC001293824572 1066333071 /nfs/dbraw/zinc/33/30/71/1066333071.db2.gz XOQDNECJHZEUKZ-ATIYNZHBSA-N 0 0 490.693 2.984 20 0 JFADRN COc1ccc(Br)cc1-c1nc(C(=O)NCCN2C(=O)CCCC2=O)cs1 ZINC001293827367 1066334042 /nfs/dbraw/zinc/33/40/42/1066334042.db2.gz XYODDHLNGVCRMW-UHFFFAOYSA-N 0 0 452.330 2.850 20 0 JFADRN CC(C)(C)OC(=O)N1CC(CCC(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)C1 ZINC001293826005 1066334067 /nfs/dbraw/zinc/33/40/67/1066334067.db2.gz BFDMPCCNZZBDGW-MRXNPFEDSA-N 0 0 452.577 2.706 20 0 JFADRN C[C@H](C(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001293826366 1066334136 /nfs/dbraw/zinc/33/41/36/1066334136.db2.gz GDQMJEKKGJMXGF-CZUORRHYSA-N 0 0 452.577 2.847 20 0 JFADRN CS(=O)(=O)Nc1ccccc1CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC001293830179 1066334373 /nfs/dbraw/zinc/33/43/73/1066334373.db2.gz DVGLCWQOPMVKAX-HXUWFJFHSA-N 0 0 457.552 2.555 20 0 JFADRN CCC[C@@](C)(O)Cn1c(Cc2ccccc2C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001293830740 1066334821 /nfs/dbraw/zinc/33/48/21/1066334821.db2.gz BSSWXXZNZDQFCW-AJTFRIOCSA-N 0 0 482.673 2.861 20 0 JFADRN CCC[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001293830801 1066335112 /nfs/dbraw/zinc/33/51/12/1066335112.db2.gz CMCIDMMRAYFWTN-VWLOTQADSA-N 0 0 498.653 2.716 20 0 JFADRN CCC[C@](C)(O)Cn1c(Cc2ccccc2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001293833076 1066336388 /nfs/dbraw/zinc/33/63/88/1066336388.db2.gz VAJCONXTNZLMSZ-QHCPKHFHSA-N 0 0 463.648 2.637 20 0 JFADRN 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ZINC001289652321 1061275598 /nfs/dbraw/zinc/27/55/98/1061275598.db2.gz YYUSVDOGCCFQEZ-UHFFFAOYSA-N 0 0 473.335 2.729 20 0 JFADRN Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2CC2(C(N)=O)CCOCC2)o1 ZINC001289651661 1061275620 /nfs/dbraw/zinc/27/56/20/1061275620.db2.gz QJFIOBUDYJXZHC-UHFFFAOYSA-N 0 0 457.506 2.816 20 0 JFADRN CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCc2cnn(C)c2)[C@@H](C)C1 ZINC001286871893 1061276107 /nfs/dbraw/zinc/27/61/07/1061276107.db2.gz MDPPLGTTWVZFSM-ROUUACIJSA-N 0 0 469.565 2.981 20 0 JFADRN CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(C)CN(C)C2=O)[C@@H](C)C1 ZINC001286872113 1061276703 /nfs/dbraw/zinc/27/67/03/1061276703.db2.gz OBZZGTROBGQULT-PBPSECFOSA-N 0 0 474.993 2.607 20 0 JFADRN Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)c(F)c1 ZINC001289655468 1061277406 /nfs/dbraw/zinc/27/74/06/1061277406.db2.gz IQTQVTHPKCSBEK-HNNXBMFYSA-N 0 0 456.488 2.985 20 0 JFADRN Cc1ccc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CCNS(C)(=O)=O)s1 ZINC001289655164 1061277420 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/nfs/dbraw/zinc/28/13/03/1061281303.db2.gz GGADERUPMSYXGN-HZPDHXFCSA-N 0 0 495.700 2.646 20 0 JFADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN([C@@H](C)c3nccs3)CC2)s1 ZINC001289661565 1061281383 /nfs/dbraw/zinc/28/13/83/1061281383.db2.gz GGADERUPMSYXGN-HOTGVXAUSA-N 0 0 495.700 2.646 20 0 JFADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(CCc2cccc(F)c2)C2CC2)cn1 ZINC001289662076 1061282214 /nfs/dbraw/zinc/28/22/14/1061282214.db2.gz JIJVSYKMBOPBJK-QGZVFWFLSA-N 0 0 472.590 2.991 20 0 JFADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(OCc3ccccc3)CC2)cn1 ZINC001289662035 1061282342 /nfs/dbraw/zinc/28/23/42/1061282342.db2.gz JAGJIKNBWGSTCA-IBGZPJMESA-N 0 0 484.626 2.826 20 0 JFADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](c3ccccc3C)C2)cn1 ZINC001289662270 1061282781 /nfs/dbraw/zinc/28/27/81/1061282781.db2.gz KUQJIZIYFVEJGN-UYAOXDASSA-N 0 0 454.600 2.942 20 0 JFADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCn3cc(C(F)(F)F)nc3C2)c(C)c1 ZINC001289662324 1061283170 /nfs/dbraw/zinc/28/31/70/1061283170.db2.gz MCXZBOHMTJMYKN-HNNXBMFYSA-N 0 0 497.547 2.789 20 0 JFADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@]3(CCSC3)C2)c(F)c1 ZINC001289662638 1061283676 /nfs/dbraw/zinc/28/36/76/1061283676.db2.gz OKSZWTQPDVQYDR-YWZLYKJASA-N 0 0 453.609 2.718 20 0 JFADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)s1 ZINC001289662870 1061283986 /nfs/dbraw/zinc/28/39/86/1061283986.db2.gz PZTSHMJWLKTETQ-HOCLYGCPSA-N 0 0 498.675 2.752 20 0 JFADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001289663241 1061284438 /nfs/dbraw/zinc/28/44/38/1061284438.db2.gz SYOWVSTYJRMTLI-HOTGVXAUSA-N 0 0 498.675 2.658 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC001286873165 1061284897 /nfs/dbraw/zinc/28/48/97/1061284897.db2.gz CELCLMHBIWWUOU-NRFANRHFSA-N 0 0 491.365 2.751 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001286873541 1061286891 /nfs/dbraw/zinc/28/68/91/1061286891.db2.gz AUZNKUUHHBDHAN-UHFFFAOYSA-N 0 0 460.460 2.998 20 0 JFADRN Cc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@H](CC(N)=O)C2)c(=O)n1C ZINC001289665311 1061287463 /nfs/dbraw/zinc/28/74/63/1061287463.db2.gz JZANBAZDLRPVCD-MRXNPFEDSA-N 0 0 486.523 2.694 20 0 JFADRN Cc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cn1 ZINC001289665629 1061287728 /nfs/dbraw/zinc/28/77/28/1061287728.db2.gz ORUTZJMOYGUJRR-INIZCTEOSA-N 0 0 492.552 2.768 20 0 JFADRN Cc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@H](C)[C@H]2C)c(=O)n1C ZINC001289665719 1061287841 /nfs/dbraw/zinc/28/78/41/1061287841.db2.gz PZXRVQIMBUIDHG-IAGOWNOFSA-N 0 0 487.651 2.734 20 0 JFADRN Cc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@H](C)[C@@H]2C)c(=O)n1C ZINC001289665718 1061287881 /nfs/dbraw/zinc/28/78/81/1061287881.db2.gz PZXRVQIMBUIDHG-DLBZAZTESA-N 0 0 487.651 2.734 20 0 JFADRN Cc1ccc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)c(=O)n1C ZINC001289668508 1061288588 /nfs/dbraw/zinc/28/85/88/1061288588.db2.gz BHICQMIZFBIQFV-AREMUKBSSA-N 0 0 462.598 3.000 20 0 JFADRN Cc1ccc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCS(=O)CC2)c(=O)n1C ZINC001289668575 1061289177 /nfs/dbraw/zinc/28/91/77/1061289177.db2.gz FEJFPTOVBHPHDR-UHFFFAOYSA-N 0 0 466.394 2.876 20 0 JFADRN COC(=O)c1cc2nc(NC(=O)[C@@H]3CN(C)C(=O)c4ccccc43)[nH]c2c(Br)c1 ZINC001289668684 1061289307 /nfs/dbraw/zinc/28/93/07/1061289307.db2.gz WWMASZGJFHULLE-CYBMUJFWSA-N 0 0 457.284 2.920 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001286874603 1061289613 /nfs/dbraw/zinc/28/96/13/1061289613.db2.gz SGTJUAIKWVAXKY-IEBWSBKVSA-N 0 0 469.590 2.797 20 0 JFADRN Cc1ccc(Cn2c(-c3ccccn3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c(=O)n1C ZINC001289669473 1061290062 /nfs/dbraw/zinc/29/00/62/1061290062.db2.gz GKQXFWNDDGQTMB-JXFKEZNVSA-N 0 0 479.585 2.745 20 0 JFADRN Cc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)s1 ZINC001289670754 1061290543 /nfs/dbraw/zinc/29/05/43/1061290543.db2.gz WRUWZXBRKXVUSW-KRWDZBQOSA-N 0 0 462.645 2.810 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccccc3Br)n2CC2([S@@](C)=O)CC2)[C@@H](C)C1 ZINC001286874897 1061290906 /nfs/dbraw/zinc/29/09/06/1061290906.db2.gz VHDGLCDMFBDXPD-MLNJSSBLSA-N 0 0 480.432 2.676 20 0 JFADRN Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(=O)n1C ZINC001289672065 1061291361 /nfs/dbraw/zinc/29/13/61/1061291361.db2.gz WYSDOJFHEOLFBC-HXUWFJFHSA-N 0 0 479.585 2.841 20 0 JFADRN Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)[C@H](C)CS(C)(=O)=O)c(O[C@H]2CCOC2)c1 ZINC001289672027 1061291382 /nfs/dbraw/zinc/29/13/82/1061291382.db2.gz WDCGXDSFZPIGMP-MJGOQNOKSA-N 0 0 473.599 2.667 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccccc3Br)n2CCCn2cccn2)CC1 ZINC001286875340 1061291834 /nfs/dbraw/zinc/29/18/34/1061291834.db2.gz WOSNXAPBQOVJMT-UHFFFAOYSA-N 0 0 458.364 2.663 20 0 JFADRN Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)cc1 ZINC001289674807 1061291912 /nfs/dbraw/zinc/29/19/12/1061291912.db2.gz HJQGEGGZVGUXPG-UHFFFAOYSA-N 0 0 459.476 2.987 20 0 JFADRN Cc1ccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)CCCS(C)(=O)=O)c(C)c1 ZINC001289675931 1061292072 /nfs/dbraw/zinc/29/20/72/1061292072.db2.gz SVRJPGNQIUBQIP-UHFFFAOYSA-N 0 0 459.572 2.542 20 0 JFADRN Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)c(F)c1 ZINC001289676163 1061292420 /nfs/dbraw/zinc/29/24/20/1061292420.db2.gz AJKZQDNPEPAAPV-YOEHRIQHSA-N 0 0 454.472 2.798 20 0 JFADRN Cc1ccc(Cn2c(C3CC3)nnc2N(C)CCCOc2ccc(S(C)(=O)=O)cc2)c(=O)n1C ZINC001289676121 1061292478 /nfs/dbraw/zinc/29/24/78/1061292478.db2.gz ZKJJUQFJSRTLOQ-UHFFFAOYSA-N 0 0 485.610 2.520 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCS(C)(=O)=O)[C@H](C)C1 ZINC001286876202 1061293280 /nfs/dbraw/zinc/29/32/80/1061293280.db2.gz IXUZRVUAYOCORC-JKSUJKDBSA-N 0 0 479.672 2.623 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCNC(=O)C(C)C)[C@H](C)C1 ZINC001286876093 1061293469 /nfs/dbraw/zinc/29/34/69/1061293469.db2.gz IKUBVJXTLOQSJY-MRXNPFEDSA-N 0 0 491.434 2.927 20 0 JFADRN Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cn1 ZINC001289677194 1061293553 /nfs/dbraw/zinc/29/35/53/1061293553.db2.gz PICKSVKIGXWAKU-OXJNMPFZSA-N 0 0 468.583 2.582 20 0 JFADRN Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)c(F)c1 ZINC001289676842 1061293682 /nfs/dbraw/zinc/29/36/82/1061293682.db2.gz LOUAVUGTZKYKFQ-PXNSSMCTSA-N 0 0 456.566 2.714 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001286876652 1061294061 /nfs/dbraw/zinc/29/40/61/1061294061.db2.gz PNRFZKYNQTWTCL-OAHLLOKOSA-N 0 0 477.997 2.917 20 0 JFADRN Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccccc2Br)c(=O)n1C ZINC001289677763 1061294038 /nfs/dbraw/zinc/29/40/38/1061294038.db2.gz UYBIKFZGEFDRCP-SFHVURJKSA-N 0 0 485.386 2.684 20 0 JFADRN CC1(C)CCN(CCNC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 ZINC001289678759 1061294366 /nfs/dbraw/zinc/29/43/66/1061294366.db2.gz JEVVXVAGTBZNQY-QGZVFWFLSA-N 0 0 459.450 2.891 20 0 JFADRN Cc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)c(=O)n1C ZINC001289678361 1061294524 /nfs/dbraw/zinc/29/45/24/1061294524.db2.gz ATMPQLWVNGVZEK-QGZVFWFLSA-N 0 0 486.514 2.598 20 0 JFADRN Cc1ccc(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)CCCS(C)(=O)=O)c(C)c1 ZINC001289679558 1061294788 /nfs/dbraw/zinc/29/47/88/1061294788.db2.gz KZPYKNRJDVSECO-UHFFFAOYSA-N 0 0 497.669 2.988 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)C(C)C)CC1 ZINC001286876837 1061294894 /nfs/dbraw/zinc/29/48/94/1061294894.db2.gz FQYSLWHWRRIJRJ-UHFFFAOYSA-N 0 0 461.636 2.589 20 0 JFADRN Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS[C@@H](C(C)C)C2)c(C)c1 ZINC001289680539 1061295267 /nfs/dbraw/zinc/29/52/67/1061295267.db2.gz IDKYWWSCGLMSDP-LEWJYISDSA-N 0 0 493.699 2.854 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2COCCO2)[C@@H](C)C1 ZINC001286877667 1061295923 /nfs/dbraw/zinc/29/59/23/1061295923.db2.gz ZRHRJPRUBMAVJH-XJKSGUPXSA-N 0 0 454.358 2.724 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(=O)NCC(F)F)[C@H](C)C1 ZINC001286877613 1061296239 /nfs/dbraw/zinc/29/62/39/1061296239.db2.gz XZWAUJFVMWHIOI-LLVKDONJSA-N 0 0 475.327 2.690 20 0 JFADRN Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H]2C(C)C)s1 ZINC001289680859 1061296007 /nfs/dbraw/zinc/29/60/07/1061296007.db2.gz MWIQRRJHEXIKDH-QZTJIDSGSA-N 0 0 453.634 2.654 20 0 JFADRN Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CCCO)CC2)c(F)c1 ZINC001289680853 1061296026 /nfs/dbraw/zinc/29/60/26/1061296026.db2.gz MUDRJULQMWAIGG-LJQANCHMSA-N 0 0 450.580 2.665 20 0 JFADRN Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H](C(F)F)C2)c(F)c1 ZINC001289681024 1061296380 /nfs/dbraw/zinc/29/63/80/1061296380.db2.gz ODLOJMYURAUIEM-SJLPKXTDSA-N 0 0 487.548 2.588 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCCCn2cc(Br)cn2)[C@H](C)C1 ZINC001286877840 1061296445 /nfs/dbraw/zinc/29/64/45/1061296445.db2.gz RVBLGFDDRTUMLD-MRXNPFEDSA-N 0 0 487.406 2.837 20 0 JFADRN 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CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(Br)n2)[C@H](C)C1 ZINC001286878840 1061299469 /nfs/dbraw/zinc/29/94/69/1061299469.db2.gz XPRHEIXZHCEQJT-OAHLLOKOSA-N 0 0 470.375 2.911 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCSC(F)(F)F)CC1 ZINC001286878925 1061299485 /nfs/dbraw/zinc/29/94/85/1061299485.db2.gz ZNNXOXJAOFZHSY-UHFFFAOYSA-N 0 0 467.477 2.515 20 0 JFADRN Cc1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N(C)CCNS(C)(=O)=O)s1 ZINC001289687313 1061299723 /nfs/dbraw/zinc/29/97/23/1061299723.db2.gz COWJMCYMKAVPFS-UHFFFAOYSA-N 0 0 455.556 2.551 20 0 JFADRN CC(=O)N1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCCCO2)CC1 ZINC001286879196 1061299728 /nfs/dbraw/zinc/29/97/28/1061299728.db2.gz BJDWSBZPFRTYRA-WOJBJXKFSA-N 0 0 476.622 2.630 20 0 JFADRN Cc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCN(CC(=O)NC(C)C)CC2)s1 ZINC001289688048 1061300061 /nfs/dbraw/zinc/30/00/61/1061300061.db2.gz SAVSSLIRFDFUSM-UHFFFAOYSA-N 0 0 473.672 2.699 20 0 JFADRN Cc1ccc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(CC(F)F)CC2)c(=O)n1C 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Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCOC3)n2C[C@H](C)CN2CCOCC2)cc1C ZINC001289726505 1061334786 /nfs/dbraw/zinc/33/47/86/1061334786.db2.gz SVUKCBZWFKHODI-DENIHFKCSA-N 0 0 484.645 2.978 20 0 JFADRN CC(=O)N1CCN([C@H]2CN(c3nnc(C(=O)Nc4ccccn4)n3CC(C)(C)C(C)C)C[C@H]2C)CC1 ZINC001286887239 1061334916 /nfs/dbraw/zinc/33/49/16/1061334916.db2.gz PRBMAWUXIVALHR-CTNGQTDRSA-N 0 0 496.660 2.596 20 0 JFADRN CC(=O)N1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCOC2)[C@H](C)C1 ZINC001286887336 1061335457 /nfs/dbraw/zinc/33/54/57/1061335457.db2.gz BGIFCZAUHZCWHL-HOJAQTOUSA-N 0 0 476.622 2.834 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N(C)CCC(C)C)n2CCS(=O)(=O)N(C)C)cc1C ZINC001289727143 1061336014 /nfs/dbraw/zinc/33/60/14/1061336014.db2.gz ZYFXMALFGKGUGR-UHFFFAOYSA-N 0 0 450.609 2.521 20 0 JFADRN CC(=O)N1CCN([C@@H]2CN(c3nnc(CC(C)C)n3CCOc3ccc(C)cc3)C[C@@H]2C)CC1 ZINC001286887408 1061336145 /nfs/dbraw/zinc/33/61/45/1061336145.db2.gz QTZWDJYRQJUAOI-XUZZJYLKSA-N 0 0 468.646 2.853 20 0 JFADRN CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@H](C)N(C)c3ccccc3)C[C@@H]2C)CC1 ZINC001286887418 1061336179 /nfs/dbraw/zinc/33/61/79/1061336179.db2.gz QXZULXYHTKRXNB-AWRGLXIESA-N 0 0 467.662 2.915 20 0 JFADRN CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@H](C)N(C)c3ccccc3)C[C@H]2C)CC1 ZINC001286887421 1061336331 /nfs/dbraw/zinc/33/63/31/1061336331.db2.gz QXZULXYHTKRXNB-ZFGGDYGUSA-N 0 0 467.662 2.915 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC(F)(F)Br)cc1C ZINC001289727415 1061336306 /nfs/dbraw/zinc/33/63/06/1061336306.db2.gz PDKZXLBFDFYDKV-ZDUSSCGKSA-N 0 0 485.333 2.802 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N(C)CCNS(C)(=O)=O)n2CC2(C(C)C)CC2)cc1C ZINC001289727601 1061336386 /nfs/dbraw/zinc/33/63/86/1061336386.db2.gz QTQNHYANGJEGCS-UHFFFAOYSA-N 0 0 462.620 2.569 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N(C)CCCS(C)(=O)=O)n2CCc2cccnc2)cc1C ZINC001289727392 1061336427 /nfs/dbraw/zinc/33/64/27/1061336427.db2.gz OSDVZKKPDICHAJ-UHFFFAOYSA-N 0 0 470.599 2.656 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC(F)(F)Br)cc1C ZINC001289727414 1061336476 /nfs/dbraw/zinc/33/64/76/1061336476.db2.gz PDKZXLBFDFYDKV-CYBMUJFWSA-N 0 0 485.333 2.802 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N(C)CCn3cccn3)n2C[C@@H]2CC(F)(F)CO2)cc1C ZINC001289727761 1061336725 /nfs/dbraw/zinc/33/67/25/1061336725.db2.gz UJPYCQHYFVRRML-SFHVURJKSA-N 0 0 459.501 2.904 20 0 JFADRN CC(=O)N1CCN([C@H]2CN(c3nnc(Cc4ccncc4)n3CCSC(F)(F)F)C[C@@H]2C)CC1 ZINC001286887519 1061337006 /nfs/dbraw/zinc/33/70/06/1061337006.db2.gz SCFDUCDTQQPFFG-LPHOPBHVSA-N 0 0 497.591 2.506 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCO3)n2CCCCN2CCOCC2)cc1C ZINC001289727956 1061337494 /nfs/dbraw/zinc/33/74/94/1061337494.db2.gz WYWJFARTNZDMDD-JOCHJYFZSA-N 0 0 470.618 2.875 20 0 JFADRN CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CCOCC(F)(F)C(F)F)[C@H](C)C1 ZINC001286887837 1061338458 /nfs/dbraw/zinc/33/84/58/1061338458.db2.gz GSGDOJPPLRZBFT-CQSZACIVSA-N 0 0 491.461 2.970 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@]2(O)CCO[C@H]2C)cc1C ZINC001289730496 1061340155 /nfs/dbraw/zinc/34/01/55/1061340155.db2.gz UPVAUODJOOONLD-LLJLJFOGSA-N 0 0 457.575 2.691 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2ccc(OC(C)C)nc2)cc1C ZINC001289730528 1061340539 /nfs/dbraw/zinc/34/05/39/1061340539.db2.gz UVFDKABSRGQJGD-LJQANCHMSA-N 0 0 477.569 2.689 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CC2(O)CC2)cc1C ZINC001289730778 1061340899 /nfs/dbraw/zinc/34/08/99/1061340899.db2.gz WNRQLNXOBNEZAD-ZBFHGGJFSA-N 0 0 453.465 2.828 20 0 JFADRN CC(=O)N1CCN([C@H]2CN(c3nnc(CC(C)(C)C)n3CCCn3nc(C)cc3C)C[C@@H]2C)CC1 ZINC001286888401 1061340964 /nfs/dbraw/zinc/34/09/64/1061340964.db2.gz YKHXSSRBOFLMJN-CVDCTZTESA-N 0 0 484.693 2.759 20 0 JFADRN CC(=O)N1CCN([C@H]2CN(c3nnc(CC(C)(C)C)n3CCCn3nc(C)cc3C)C[C@H]2C)CC1 ZINC001286888403 1061341117 /nfs/dbraw/zinc/34/11/17/1061341117.db2.gz YKHXSSRBOFLMJN-XXBNENTESA-N 0 0 484.693 2.759 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H]2CCOC[C@H]2C)cc1C ZINC001289732049 1061341264 /nfs/dbraw/zinc/34/12/64/1061341264.db2.gz BCQNXAXWJBGMBH-QUCCMNQESA-N 0 0 468.602 2.912 20 0 JFADRN CC(=O)N1CCN(CCn2c(-c3ccc(Br)s3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001286888522 1061341738 /nfs/dbraw/zinc/34/17/38/1061341738.db2.gz BFDFPORYNQIYLB-HNNXBMFYSA-N 0 0 497.463 2.548 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C(N)=O)C3)n2CCC[C@H]2CCCCO2)cc1C ZINC001289732093 1061341541 /nfs/dbraw/zinc/34/15/41/1061341541.db2.gz BYZQOUBHIZECJN-AZUAARDMSA-N 0 0 454.575 2.808 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@](C)(O)c2ccco2)cc1C ZINC001289732073 1061341590 /nfs/dbraw/zinc/34/15/90/1061341590.db2.gz BPFWCNGQULQUEB-VWLOTQADSA-N 0 0 480.569 2.740 20 0 JFADRN CC(=O)N1CCN([C@@H]2CN(c3nnc(C4CCC4)n3C[C@@](C)(O)CCC(C)C)C[C@H]2C)CC1 ZINC001286888611 1061342081 /nfs/dbraw/zinc/34/20/81/1061342081.db2.gz ZQVPHQWLTCUHLS-QNIAMRLHSA-N 0 0 460.667 2.722 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CC2(C)COC2)cc1C ZINC001289732676 1061342791 /nfs/dbraw/zinc/34/27/91/1061342791.db2.gz JDELRKILCGWQDR-UHFFFAOYSA-N 0 0 468.602 2.878 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)C(C)(C)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1C ZINC001289732660 1061342941 /nfs/dbraw/zinc/34/29/41/1061342941.db2.gz JCJYZLBZDAODSK-MHECFPHRSA-N 0 0 489.642 2.569 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H](c2ccco2)N(C)C)cc1C ZINC001289733502 1061343831 /nfs/dbraw/zinc/34/38/31/1061343831.db2.gz UNWBRKSHDJCGNM-CLOONOSVSA-N 0 0 479.585 2.745 20 0 JFADRN Cc1nccn1CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001289733334 1061343884 /nfs/dbraw/zinc/34/38/84/1061343884.db2.gz RRMCDZPIOJKHTH-VWLOTQADSA-N 0 0 478.601 2.834 20 0 JFADRN CC(=O)N1CCN(CCn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC2CC(F)C2)CC1 ZINC001286888913 1061344445 /nfs/dbraw/zinc/34/44/45/1061344445.db2.gz BXBODQDNLDIFTK-UHFFFAOYSA-N 0 0 472.609 2.822 20 0 JFADRN CC(=O)N1CCN(CCn2c(Cc3ccncc3)nnc2N(C)Cc2ccc(OC(F)F)cc2)CC1 ZINC001286888985 1061344729 /nfs/dbraw/zinc/34/47/29/1061344729.db2.gz BDSQAJJPGVHPOG-UHFFFAOYSA-N 0 0 499.566 2.666 20 0 JFADRN CC(=O)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001286889048 1061345354 /nfs/dbraw/zinc/34/53/54/1061345354.db2.gz RMIIRCUFYGPAIB-UHFFFAOYSA-N 0 0 498.074 2.717 20 0 JFADRN CC(=O)N1CCN(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001286889230 1061346168 /nfs/dbraw/zinc/34/61/68/1061346168.db2.gz HIYGYDVVRYRJDS-FMWKFLBASA-N 0 0 478.707 2.691 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2OCCC2(C)C)cc1C ZINC001289735519 1061346892 /nfs/dbraw/zinc/34/68/92/1061346892.db2.gz NQBKNXLAQYPXFL-OALUTQOASA-N 0 0 475.615 2.586 20 0 JFADRN CC(=O)N1CCN(CCn2c(Cc3c(F)cccc3F)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001286889359 1061347310 /nfs/dbraw/zinc/34/73/10/1061347310.db2.gz DPUCUPKIBLROIG-UHFFFAOYSA-N 0 0 458.557 2.858 20 0 JFADRN CC(=O)N1CCN(CCn2c(-c3ccc(C)o3)nnc2N2CCC(OC(C)(C)C)CC2)CC1 ZINC001286889312 1061347466 /nfs/dbraw/zinc/34/74/66/1061347466.db2.gz JCDMTWOUFWAUPW-UHFFFAOYSA-N 0 0 458.607 2.795 20 0 JFADRN CC(=O)N1CCN(CCn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001286889427 1061348067 /nfs/dbraw/zinc/34/80/67/1061348067.db2.gz GQFUVCOJLPBBCY-SFHVURJKSA-N 0 0 483.567 2.904 20 0 JFADRN CC(=O)N1CCN(CCn2c(Cc3csc(C)n3)nnc2N(C)c2ccc(C)cc2)CC1 ZINC001286889435 1061348135 /nfs/dbraw/zinc/34/81/35/1061348135.db2.gz GXUZLTHBXIVMEL-UHFFFAOYSA-N 0 0 453.616 2.874 20 0 JFADRN CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC001286889593 1061349154 /nfs/dbraw/zinc/34/91/54/1061349154.db2.gz VFPITTPGDALZOG-DFQSSKMNSA-N 0 0 476.622 2.834 20 0 JFADRN CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(N(C)C)nc2)[C@H](C)C1 ZINC001286889544 1061349293 /nfs/dbraw/zinc/34/92/93/1061349293.db2.gz UGISJVTZPIXAAI-QGZVFWFLSA-N 0 0 467.549 2.563 20 0 JFADRN CC(=O)N1CCN(CCn2c(-c3cccc(Br)c3)nnc2N2CC[C@H](C)C2)CC1 ZINC001286889787 1061350951 /nfs/dbraw/zinc/35/09/51/1061350951.db2.gz LPOWLDYGJPXGRZ-INIZCTEOSA-N 0 0 461.408 2.718 20 0 JFADRN CC(=O)N1CCN(CCn2c(-c3cccc(Cl)c3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001286889847 1061351855 /nfs/dbraw/zinc/35/18/55/1061351855.db2.gz NFOADBZCSHNCTH-QGZVFWFLSA-N 0 0 461.010 2.766 20 0 JFADRN CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)N2CCCCCC2)[C@@H](C)C1 ZINC001286890366 1061353288 /nfs/dbraw/zinc/35/32/88/1061353288.db2.gz ZERUAFWGPAIQTR-IBGZPJMESA-N 0 0 486.592 2.846 20 0 JFADRN CC(=O)N1CCN(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)c2ccccc2C)CC1 ZINC001286890313 1061353862 /nfs/dbraw/zinc/35/38/62/1061353862.db2.gz PTWJFVRLXMWORS-FQEVSTJZSA-N 0 0 490.612 2.595 20 0 JFADRN CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCn2ccnn2)[C@@H](C)C1 ZINC001286890411 1061354346 /nfs/dbraw/zinc/35/43/46/1061354346.db2.gz ZYGVNNCTYPGLSY-SFHVURJKSA-N 0 0 454.604 2.618 20 0 JFADRN CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCn2ccnn2)[C@H](C)C1 ZINC001286890407 1061354512 /nfs/dbraw/zinc/35/45/12/1061354512.db2.gz ZYGVNNCTYPGLSY-GOSISDBHSA-N 0 0 454.604 2.618 20 0 JFADRN CC(=O)N1CCN(CCn2c(COc3ccccc3F)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001286890568 1061355654 /nfs/dbraw/zinc/35/56/54/1061355654.db2.gz SMQZCXRXCVYVBT-OALUTQOASA-N 0 0 458.582 2.785 20 0 JFADRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CN2c3ccccc3OC(F)(F)C2=O)C1 ZINC001289740926 1061355763 /nfs/dbraw/zinc/35/57/63/1061355763.db2.gz RISNBKNBPAHSPK-QKKBWIMNSA-N 0 0 451.470 2.911 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2Cc2ccco2)cc1C ZINC001289741025 1061356092 /nfs/dbraw/zinc/35/60/92/1061356092.db2.gz XDLNBARMWMOUOB-LJQANCHMSA-N 0 0 457.556 2.802 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CCc2cn[nH]c2)cc1C ZINC001289741005 1061356138 /nfs/dbraw/zinc/35/61/38/1061356138.db2.gz WZYHSIVSQWWQGC-FQEVSTJZSA-N 0 0 485.614 2.517 20 0 JFADRN CC(=O)N1CCN(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C)CC2)CC1 ZINC001286890698 1061356490 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Cc1ccc(O[C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001289762775 1061384997 /nfs/dbraw/zinc/38/49/97/1061384997.db2.gz JBKLVDMZAKDZTA-QZTJIDSGSA-N 0 0 482.610 2.747 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(CC3CC3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)cn1 ZINC001286898208 1061385467 /nfs/dbraw/zinc/38/54/67/1061385467.db2.gz WLXWCDNIVDOWNJ-AWEZNQCLSA-N 0 0 451.497 2.705 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(CC3CC3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)cn1 ZINC001286898250 1061385812 /nfs/dbraw/zinc/38/58/12/1061385812.db2.gz WXRHGHAAMIYHCC-IBGZPJMESA-N 0 0 453.591 2.621 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC(=O)N(C)C[C@H]2C)cc1 ZINC001289764624 1061385849 /nfs/dbraw/zinc/38/58/49/1061385849.db2.gz XLGPBRGELRLGLA-QZTJIDSGSA-N 0 0 482.610 2.712 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC001289767358 1061387859 /nfs/dbraw/zinc/38/78/59/1061387859.db2.gz MZEAHUYZYOTRPF-KVSKMBFKSA-N 0 0 499.584 2.994 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001286899302 1061388148 /nfs/dbraw/zinc/38/81/48/1061388148.db2.gz QWCTXZSBTVGGEW-UHFFFAOYSA-N 0 0 480.573 2.742 20 0 JFADRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)CN1C(=O)NC(C)(C)C1=O)C(F)(F)F ZINC001289768227 1061388654 /nfs/dbraw/zinc/38/86/54/1061388654.db2.gz ZDPVLCAJCIYZPW-OAHLLOKOSA-N 0 0 451.449 2.582 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)c2ccco2)c1 ZINC001286899619 1061389462 /nfs/dbraw/zinc/38/94/62/1061389462.db2.gz YGYSEXLWTKSAEV-YJBOKZPZSA-N 0 0 457.556 2.977 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC001289768914 1061389636 /nfs/dbraw/zinc/38/96/36/1061389636.db2.gz NBPQCODBUVCXPZ-QFBILLFUSA-N 0 0 499.584 2.853 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@]2(C)CCCO2)cc1 ZINC001289769165 1061389960 /nfs/dbraw/zinc/38/99/60/1061389960.db2.gz OADDKVJTPJCGPJ-KGVIQGDOSA-N 0 0 450.605 2.992 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(N3CCS[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)cn1 ZINC001286899761 1061390255 /nfs/dbraw/zinc/39/02/55/1061390255.db2.gz UOVXJHVVGUWDAP-KSFYIVLOSA-N 0 0 460.604 2.662 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)C(C)C)CC2)c1 ZINC001289769271 1061390410 /nfs/dbraw/zinc/39/04/10/1061390410.db2.gz XJHODSYCAPDQMT-UHFFFAOYSA-N 0 0 473.528 2.941 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N(C)c2ccccc2)CC1 ZINC001286900453 1061392205 /nfs/dbraw/zinc/39/22/05/1061392205.db2.gz HFBMZRNDVKGVLQ-WGUJIJQLSA-N 0 0 467.618 2.638 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 ZINC001286900736 1061392756 /nfs/dbraw/zinc/39/27/56/1061392756.db2.gz KAFOTRSGLRACFN-WBIUCTKCSA-N 0 0 489.020 2.674 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)cc2)CC1 ZINC001286901107 1061393801 /nfs/dbraw/zinc/39/38/01/1061393801.db2.gz BBQWBHLMGSNQFA-APMMTJHUSA-N 0 0 497.065 2.668 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@@H](C)Oc3ccccc3F)n2CCCn2cnnn2)CC1 ZINC001286901172 1061394243 /nfs/dbraw/zinc/39/42/43/1061394243.db2.gz DEZIPUBNGINDDA-IPJUCJBFSA-N 0 0 485.568 2.518 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccccc2Cl)CC1 ZINC001286901331 1061394269 /nfs/dbraw/zinc/39/42/69/1061394269.db2.gz QIEDGSARXHGINE-TVPLGVNVSA-N 0 0 474.993 2.845 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2C[C@@H]2CCC[C@H](O)C2)cc1 ZINC001289773982 1061395940 /nfs/dbraw/zinc/39/59/40/1061395940.db2.gz OVBDHZIBDMCCMN-CTNGQTDRSA-N 0 0 491.658 2.577 20 0 JFADRN Cc1nn(C)c(C)c1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC(=O)NC(C)C ZINC001289774762 1061397095 /nfs/dbraw/zinc/39/70/95/1061397095.db2.gz KSRJUIJQPLLIGU-UHFFFAOYSA-N 0 0 453.591 2.833 20 0 JFADRN Cc1noc(C)c1CCn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001289775245 1061397930 /nfs/dbraw/zinc/39/79/30/1061397930.db2.gz OAAXUZATZHCJFA-GOSISDBHSA-N 0 0 459.572 2.636 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2=CCCOC2)CC1 ZINC001286902631 1061398452 /nfs/dbraw/zinc/39/84/52/1061398452.db2.gz QOBJYCSCNQWMQZ-SLXFGWRHSA-N 0 0 461.607 2.549 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCO[C@H](C)C2)cc1 ZINC001289776070 1061398970 /nfs/dbraw/zinc/39/89/70/1061398970.db2.gz WKVNLELRGKRASF-HSALFYBXSA-N 0 0 462.616 2.994 20 0 JFADRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C)c4ncc(C)cc43)CC2)cc1 ZINC001289776801 1061399642 /nfs/dbraw/zinc/39/96/42/1061399642.db2.gz XPWULZRMBUEOPT-UHFFFAOYSA-N 0 0 458.584 2.672 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(CN3CCCC3=O)n2CCOc2cccc(C)c2)CC1 ZINC001286902966 1061400131 /nfs/dbraw/zinc/40/01/31/1061400131.db2.gz GLISOGWISMLKJI-UHFFFAOYSA-N 0 0 468.602 2.671 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(CN3CCCC3=O)n2CCc2cccc(F)c2F)CC1 ZINC001286903262 1061401876 /nfs/dbraw/zinc/40/18/76/1061401876.db2.gz IDVMZAODLFETJK-UHFFFAOYSA-N 0 0 474.556 2.805 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCCn2cc(Br)cn2)C1 ZINC001286903412 1061402763 /nfs/dbraw/zinc/40/27/63/1061402763.db2.gz BHXCCDYZXIEYSY-MRXNPFEDSA-N 0 0 452.401 2.730 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2CCC(=O)N2CCOCC2)cc1C ZINC001289781343 1061403608 /nfs/dbraw/zinc/40/36/08/1061403608.db2.gz XLABZOBMIRFXMO-JOCHJYFZSA-N 0 0 471.602 2.728 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)Cc3cnccn3)n2C[C@@H](C)N2CCOCC2)cc1C ZINC001289782342 1061405702 /nfs/dbraw/zinc/40/57/02/1061405702.db2.gz GZCVUSGOIZQJPL-HXUWFJFHSA-N 0 0 451.575 2.621 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(COC(C)(C)C)c2)C1 ZINC001286903896 1061406778 /nfs/dbraw/zinc/40/67/78/1061406778.db2.gz DTRODCGIWRUHJJ-OAQYLSRUSA-N 0 0 470.618 2.885 20 0 JFADRN CC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(COC(C)(C)C)c2)C1 ZINC001286903895 1061406816 /nfs/dbraw/zinc/40/68/16/1061406816.db2.gz DTRODCGIWRUHJJ-NRFANRHFSA-N 0 0 470.618 2.885 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@]2(O)CCO[C@H]2C)cc1C ZINC001289783406 1061408359 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SDDXBDCAZYSHBX-MKCYZYCBSA-N 0 0 453.678 2.904 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)OC3CCCC3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001289786228 1061410753 /nfs/dbraw/zinc/41/07/53/1061410753.db2.gz DDEMZCRILWHMSG-GOSISDBHSA-N 0 0 463.604 2.900 20 0 JFADRN CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCCCC2)C1 ZINC001286904673 1061413446 /nfs/dbraw/zinc/41/34/46/1061413446.db2.gz IQVKTSMYMRPILL-NRFANRHFSA-N 0 0 468.602 2.947 20 0 JFADRN CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@](C)(O)C(C)C)C1 ZINC001286904750 1061414235 /nfs/dbraw/zinc/41/42/35/1061414235.db2.gz KCHNMTYHYNNJAN-RDPSFJRHSA-N 0 0 456.591 2.659 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(COc3ccccc3F)n2C[C@]2(O)CCSC2)CC1 ZINC001286905082 1061416079 /nfs/dbraw/zinc/41/60/79/1061416079.db2.gz LXXLDZYDRXXALM-QPFKGPCDSA-N 0 0 477.606 2.748 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cc(C)cc(C)c2)CC1 ZINC001286905241 1061417453 /nfs/dbraw/zinc/41/74/53/1061417453.db2.gz YLPCDZQITFQPIJ-DDRJZQQSSA-N 0 0 487.670 2.923 20 0 JFADRN Cc1ccc(OCc2nnc(N3C[C@H](C)[C@H](C)C3)n2CCS(=O)(=O)N2CCSCC2)cc1C ZINC001289790967 1061417641 /nfs/dbraw/zinc/41/76/41/1061417641.db2.gz LYQIUCRMFBSXJX-BGYRXZFFSA-N 0 0 493.699 2.945 20 0 JFADRN CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOc2ccc(F)cc2)C1 ZINC001286905529 1061419571 /nfs/dbraw/zinc/41/95/71/1061419571.db2.gz SDSUUDHVYIGNBT-IBGZPJMESA-N 0 0 481.532 2.639 20 0 JFADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2Cc2ncccc2N(C)C)cc1C ZINC001289791732 1061421490 /nfs/dbraw/zinc/42/14/90/1061421490.db2.gz PSYZLMVVGJQTTC-LJQANCHMSA-N 0 0 463.586 2.650 20 0 JFADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2Cc2cnnn2C)cc1C ZINC001289792254 1061424476 /nfs/dbraw/zinc/42/44/76/1061424476.db2.gz LPBYHULEOAHGHO-QAPCUYQASA-N 0 0 465.480 2.807 20 0 JFADRN CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CCCn2ccnn2)C1 ZINC001286906408 1061426709 /nfs/dbraw/zinc/42/67/09/1061426709.db2.gz IHQBHWPDHXBASA-INIZCTEOSA-N 0 0 491.369 2.633 20 0 JFADRN 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CC[C@H](CNC(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)Oc1ccccc1C ZINC001294112231 1061594612 /nfs/dbraw/zinc/59/46/12/1061594612.db2.gz RDZXTWRWZGRWQG-GCJKJVERSA-N 0 0 450.539 2.818 20 0 JFADRN Cc1cccc(-c2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2Cc2noc3c2CCCC3)n1 ZINC001289906899 1061595174 /nfs/dbraw/zinc/59/51/74/1061595174.db2.gz YZWCYWYCWLFZEX-HOTGVXAUSA-N 0 0 458.588 2.821 20 0 JFADRN Cc1cccc(-c2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@@]2(O)CCO[C@@H]2C)n1 ZINC001289907870 1061595568 /nfs/dbraw/zinc/59/55/68/1061595568.db2.gz BAWFNRVGAUJMHZ-GGUMNFRJSA-N 0 0 485.610 2.789 20 0 JFADRN Cc1cccc(-c2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@H]2CCC(=O)N2)n1 ZINC001289907900 1061595605 /nfs/dbraw/zinc/59/56/05/1061595605.db2.gz BMRMCPIAHJWCBM-SJLPKXTDSA-N 0 0 468.583 2.528 20 0 JFADRN Cc1cccc(-c2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@]2(O)CCO[C@H]2C)n1 ZINC001289907875 1061595697 /nfs/dbraw/zinc/59/56/97/1061595697.db2.gz BAWFNRVGAUJMHZ-NXMSCROESA-N 0 0 485.610 2.789 20 0 JFADRN CC(C)[C@H](CCN(C)C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)NC(=O)OC(C)(C)C ZINC001294115555 1061597173 /nfs/dbraw/zinc/59/71/73/1061597173.db2.gz WHQGFYNQMLNSLS-DGGJZMOXSA-N 0 0 452.596 2.885 20 0 JFADRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C1 ZINC001294115889 1061597193 /nfs/dbraw/zinc/59/71/93/1061597193.db2.gz ZQQMOVKZMAAYMF-IEBWSBKVSA-N 0 0 455.559 2.883 20 0 JFADRN Cc1cccc(-c2nnc(N(C)C3CCC4(CC3)OCCO4)n2CCCCCS(C)(=O)=O)n1 ZINC001289908519 1061597508 /nfs/dbraw/zinc/59/75/08/1061597508.db2.gz CEGFVUOQJFPIMK-UHFFFAOYSA-N 0 0 477.631 2.985 20 0 JFADRN Cc1cccc(-c2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2Cc2ccc(F)c(F)c2)n1 ZINC001289909083 1061597898 /nfs/dbraw/zinc/59/78/98/1061597898.db2.gz HMTKDEFDVYXKEQ-UHFFFAOYSA-N 0 0 476.553 2.835 20 0 JFADRN CCCCCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1)C(C)C ZINC001294116093 1061597950 /nfs/dbraw/zinc/59/79/50/1061597950.db2.gz TXXUFIXNQDKKKK-HXUWFJFHSA-N 0 0 465.620 2.770 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)Oc2ccc(C)cc2)CCO1 ZINC001286943067 1061598494 /nfs/dbraw/zinc/59/84/94/1061598494.db2.gz OMOLMNVMCCTJJW-SIKLNZKXSA-N 0 0 464.570 2.766 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCCOC2)CCO1 ZINC001286943163 1061598956 /nfs/dbraw/zinc/59/89/56/1061598956.db2.gz YYDWBKAMLBOWTF-DOTOQJQBSA-N 0 0 496.381 2.615 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC001286943175 1061599250 /nfs/dbraw/zinc/59/92/50/1061599250.db2.gz SRQWHXLJOPJQEO-QGZVFWFLSA-N 0 0 464.448 2.561 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(C3CCCC3)n2C[C@@](C)(O)c2cccc(Cl)c2)CCO1 ZINC001286943422 1061601208 /nfs/dbraw/zinc/60/12/08/1061601208.db2.gz PWBOLUYSMOOXQD-NFBKMPQASA-N 0 0 461.994 2.838 20 0 JFADRN Cc1cccc(-c2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2CCOc2ccccc2C)n1 ZINC001289910169 1061601450 /nfs/dbraw/zinc/60/14/50/1061601450.db2.gz VSMVTVHJLBURRV-UHFFFAOYSA-N 0 0 484.626 2.896 20 0 JFADRN 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/nfs/dbraw/zinc/61/29/75/1061612975.db2.gz SHTMUPLWRLVHHU-QHCPKHFHSA-N 0 0 458.511 2.701 20 0 JFADRN CCCCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C ZINC001294132818 1061614172 /nfs/dbraw/zinc/61/41/72/1061614172.db2.gz BUWJWRWGEVGJJU-IRXDYDNUSA-N 0 0 460.579 2.564 20 0 JFADRN CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)CC(=O)N1CCOCC1 ZINC001294134843 1061615209 /nfs/dbraw/zinc/61/52/09/1061615209.db2.gz ZBMZOHMPKHTGFB-UHFFFAOYSA-N 0 0 481.601 2.721 20 0 JFADRN Cc1cccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CC2(CS(C)(=O)=O)CC2)n1 ZINC001289922872 1061615321 /nfs/dbraw/zinc/61/53/21/1061615321.db2.gz ZGQWDQDTFNLKIN-UHFFFAOYSA-N 0 0 497.547 2.862 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CC3CCCCC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)n1 ZINC001289923266 1061616241 /nfs/dbraw/zinc/61/62/41/1061616241.db2.gz OXEGSCBLUYRUNQ-UHFFFAOYSA-N 0 0 475.597 2.928 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCO[C@@H]2C(C)C)CCO1 ZINC001286944850 1061617137 /nfs/dbraw/zinc/61/71/37/1061617137.db2.gz 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JFADRN CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCc2ccccc2)C1 ZINC001294136538 1061620523 /nfs/dbraw/zinc/62/05/23/1061620523.db2.gz HNWXCCMLXKQOFN-FGZHOGPDSA-N 0 0 491.658 2.639 20 0 JFADRN CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001294136510 1061620567 /nfs/dbraw/zinc/62/05/67/1061620567.db2.gz HAGZJBBHCNXFSI-SJORKVTESA-N 0 0 455.625 2.816 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)c2ccc(C)cc2)CCO1 ZINC001286945299 1061621415 /nfs/dbraw/zinc/62/14/15/1061621415.db2.gz LCMNHZKPBHQETH-JPYJTQIMSA-N 0 0 465.602 2.593 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)Oc2ccccc2F)CCO1 ZINC001286945310 1061622643 /nfs/dbraw/zinc/62/26/43/1061622643.db2.gz LJDXFVOJXBRMPJ-BEFAXECRSA-N 0 0 488.589 2.582 20 0 JFADRN CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001294138460 1061623741 /nfs/dbraw/zinc/62/37/41/1061623741.db2.gz RRIJYFNFGNAVHI-IAGOWNOFSA-N 0 0 455.625 2.816 20 0 JFADRN CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001294138464 1061623803 /nfs/dbraw/zinc/62/38/03/1061623803.db2.gz RRIJYFNFGNAVHI-SJORKVTESA-N 0 0 455.625 2.816 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2Cc2ccc3c(c2)COCC3)n1 ZINC001289932028 1061624503 /nfs/dbraw/zinc/62/45/03/1061624503.db2.gz ONKJZQZBFZNTIY-UHFFFAOYSA-N 0 0 455.584 2.640 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccccc2-c2cnn(C)c2)n1 ZINC001289933161 1061627982 /nfs/dbraw/zinc/62/79/82/1061627982.db2.gz ZYCSZJJTNINWBC-UHFFFAOYSA-N 0 0 465.583 2.578 20 0 JFADRN CC(=O)NCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1ccoc1C ZINC001286945922 1061628989 /nfs/dbraw/zinc/62/89/89/1061628989.db2.gz LMEFEWDRABLBGU-UHFFFAOYSA-N 0 0 473.603 2.611 20 0 JFADRN CC(=O)NCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC001286945913 1061629059 /nfs/dbraw/zinc/62/90/59/1061629059.db2.gz LAGHEHOYGHYXLX-NXMSCROESA-N 0 0 475.565 2.858 20 0 JFADRN CC(=O)NCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC001286945914 1061629076 /nfs/dbraw/zinc/62/90/76/1061629076.db2.gz LAGHEHOYGHYXLX-XFAGBWLFSA-N 0 0 475.565 2.858 20 0 JFADRN Cc1cccc(-c2nnc(N(CCO)Cc3ccc(Br)s3)n2C[C@]2(O)CCOC2)n1 ZINC001289938295 1061629191 /nfs/dbraw/zinc/62/91/91/1061629191.db2.gz MUPLIJXDNUPPCD-HXUWFJFHSA-N 0 0 494.415 2.623 20 0 JFADRN Cc1cccc(-c2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2Cc2cccc(OCC(N)=O)c2)n1 ZINC001289939538 1061629958 /nfs/dbraw/zinc/62/99/58/1061629958.db2.gz ISYCYMYWXYCVSO-DNVCBOLYSA-N 0 0 490.486 2.717 20 0 JFADRN Cc1cccc(-c2nnc(N3Cc4ccc(Br)cc4C3)n2CCS(=O)(=O)N(C)C)n1 ZINC001289939400 1061630015 /nfs/dbraw/zinc/63/00/15/1061630015.db2.gz AREWOQIQBYIESL-UHFFFAOYSA-N 0 0 491.415 2.823 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCO[C@@H]2CCCC[C@@H]2C)CCO1 ZINC001286946030 1061630153 /nfs/dbraw/zinc/63/01/53/1061630153.db2.gz JDUGORILAQJSBW-CDNPAEQRSA-N 0 0 473.593 2.945 20 0 JFADRN CCCCCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC001294143453 1061630285 /nfs/dbraw/zinc/63/02/85/1061630285.db2.gz PLCRAYQGJVOUQD-UHFFFAOYSA-N 0 0 475.644 2.730 20 0 JFADRN Cc1cccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)n1 ZINC001289940322 1061630937 /nfs/dbraw/zinc/63/09/37/1061630937.db2.gz NASBGHODUMLEPK-IAGOWNOFSA-N 0 0 457.579 2.571 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCSC2(C)C)CCO1 ZINC001286946119 1061631087 /nfs/dbraw/zinc/63/10/87/1061631087.db2.gz OPXZPVKIXHUSCZ-TZIWHRDSSA-N 0 0 473.643 2.773 20 0 JFADRN Cc1cccc(-c2nnc(N3C[C@H](C)O[C@]4(CCO[C@H]4C)C3)n2CCCNC(=O)C(C)C)n1 ZINC001289940881 1061632118 /nfs/dbraw/zinc/63/21/18/1061632118.db2.gz NYJYBIXBJBAPRM-AXHZCLLHSA-N 0 0 456.591 2.584 20 0 JFADRN CC(=O)NCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001286946219 1061632114 /nfs/dbraw/zinc/63/21/14/1061632114.db2.gz MCTJWBFVLUYOMS-OPAMFIHVSA-N 0 0 496.033 2.613 20 0 JFADRN NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001294146150 1061632288 /nfs/dbraw/zinc/63/22/88/1061632288.db2.gz KQFSWZGHEPYPAN-CPUCHLNUSA-N 0 0 454.340 2.601 20 0 JFADRN NC(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001294146151 1061632410 /nfs/dbraw/zinc/63/24/10/1061632410.db2.gz KQFSWZGHEPYPAN-JJRVBVJISA-N 0 0 454.340 2.601 20 0 JFADRN Cc1cccc(-c2nnc(N3C[C@@H](C)O[C@@H](c4ccsc4)C3)n2CCS(=O)(=O)N(C)C)n1 ZINC001289941768 1061634025 /nfs/dbraw/zinc/63/40/25/1061634025.db2.gz RSSUJIMNYMVDPQ-VQIMIIECSA-N 0 0 476.628 2.568 20 0 JFADRN Cc1cccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2Cc2cccc(OCC(N)=O)c2)n1 ZINC001289943057 1061634956 /nfs/dbraw/zinc/63/49/56/1061634956.db2.gz VLPSHNSLKSYHJT-KRWDZBQOSA-N 0 0 450.543 2.565 20 0 JFADRN Cc1cccc(-c2nnc(N3CC[C@H](C(=O)N(C)c4ccccc4)C3)n2CCCS(C)(=O)=O)n1 ZINC001289943350 1061636009 /nfs/dbraw/zinc/63/60/09/1061636009.db2.gz YGWTUGGBGVRAFW-IBGZPJMESA-N 0 0 482.610 2.573 20 0 JFADRN 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ZINC001294165878 1061661247 /nfs/dbraw/zinc/66/12/47/1061661247.db2.gz LAXDJPHDZWKZGZ-HYBUGGRVSA-N 0 0 463.623 2.848 20 0 JFADRN Cc1c(Cn2c(-c3cccc(C)n3)nnc2N2CCC(S(C)(=O)=O)CC2)cnn1CC(C)C ZINC001289959291 1061663065 /nfs/dbraw/zinc/66/30/65/1061663065.db2.gz FVHOFNOKMLFIKZ-UHFFFAOYSA-N 0 0 471.631 2.871 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccccc2Cl)N(C)C)CCO1 ZINC001286948790 1061663970 /nfs/dbraw/zinc/66/39/70/1061663970.db2.gz WVAYOCCAWAAHGF-REWPJTCUSA-N 0 0 498.031 2.562 20 0 JFADRN Cc1cccc(-c2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCS(=O)(=O)C2)n1 ZINC001289959450 1061664131 /nfs/dbraw/zinc/66/41/31/1061664131.db2.gz MQKDGRXSYIZOTN-KRWDZBQOSA-N 0 0 490.630 2.577 20 0 JFADRN CCCCCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2([S@](C)=O)CCC2)CC1 ZINC001294167618 1061665513 /nfs/dbraw/zinc/66/55/13/1061665513.db2.gz YEVIEKRVILTTJR-KGMZSHBCSA-N 0 0 479.691 2.996 20 0 JFADRN Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)n1 ZINC001289960476 1061666543 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C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001286977028 1061788924 /nfs/dbraw/zinc/78/89/24/1061788924.db2.gz KSEINCGPQQHPMC-SJORKVTESA-N 0 0 474.693 2.626 20 0 JFADRN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC001294301508 1061789251 /nfs/dbraw/zinc/78/92/51/1061789251.db2.gz DGTUQQIAIWXFIK-VQTJNVASSA-N 0 0 451.633 2.900 20 0 JFADRN CC[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)[C@@H](CC)CN1C(C)=O ZINC001294301506 1061789388 /nfs/dbraw/zinc/78/93/88/1061789388.db2.gz DGTUQQIAIWXFIK-PMACEKPBSA-N 0 0 451.633 2.900 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1 ZINC001286977136 1061789292 /nfs/dbraw/zinc/78/92/92/1061789292.db2.gz LRICZASWXHCUIK-IIAWOOMASA-N 0 0 486.063 2.760 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@]2(C)COCCO2)c1 ZINC001290064796 1061789466 /nfs/dbraw/zinc/78/94/66/1061789466.db2.gz DPJMLJAGUBQJAG-CJFMBICVSA-N 0 0 471.602 2.712 20 0 JFADRN 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CCCCn1cc(Cn2c(N3CCN(C(=O)C(C)C)CC3)nnc2[C@]2(OCC)CCOC2)c(C)n1 ZINC001294304792 1061792115 /nfs/dbraw/zinc/79/21/15/1061792115.db2.gz AGAUOHIIVKWEPS-VWLOTQADSA-N 0 0 487.649 2.588 20 0 JFADRN CCCCn1cc(Cn2c(Cc3ccsc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)c(C)n1 ZINC001294305529 1061792757 /nfs/dbraw/zinc/79/27/57/1061792757.db2.gz XQJSJJNBQKIRFV-LJQANCHMSA-N 0 0 462.645 2.907 20 0 JFADRN CCCCn1cc(Cn2c(Cc3ccccc3C)nnc2N2CCN(C(=O)COC)CC2)c(C)n1 ZINC001294305681 1061792842 /nfs/dbraw/zinc/79/28/42/1061792842.db2.gz ZZRIECUKPHYNBC-UHFFFAOYSA-N 0 0 479.629 2.826 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCCN(C(=O)C4CC4)CC3)n2CCNC(=O)C(C)(C)C)c1 ZINC001290069211 1061793030 /nfs/dbraw/zinc/79/30/30/1061793030.db2.gz BGOGDERWFGOTSZ-UHFFFAOYSA-N 0 0 482.629 2.777 20 0 JFADRN CCCCn1cc(Cn2c(N3CCCN(C(C)=O)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c(C)n1 ZINC001294306259 1061793563 /nfs/dbraw/zinc/79/35/63/1061793563.db2.gz HMUVYCAQZNTNND-RUZDIDTESA-N 0 0 487.649 2.731 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CCC(=O)NC(C)(C)C)c1 ZINC001290069344 1061793739 /nfs/dbraw/zinc/79/37/39/1061793739.db2.gz GLJTZQUPKYZROY-FQEVSTJZSA-N 0 0 491.658 2.874 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CCc2ccn(C)n2)c1 ZINC001290069561 1061794267 /nfs/dbraw/zinc/79/42/67/1061794267.db2.gz MEZMFBQXPSYBGD-NRFANRHFSA-N 0 0 472.615 2.545 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1COCCO1 ZINC001286977921 1061794817 /nfs/dbraw/zinc/79/48/17/1061794817.db2.gz ORDFYHVSSHNKES-VYDXJSESSA-N 0 0 489.063 2.897 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@H]2CCCS2)c1 ZINC001290069929 1061795372 /nfs/dbraw/zinc/79/53/72/1061795372.db2.gz UOUFKQOVZBDXJU-LJQANCHMSA-N 0 0 465.645 2.533 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C(C)C)CC3)n2CCS(=O)(=O)C(C)(C)C)c1 ZINC001290071209 1061797023 /nfs/dbraw/zinc/79/70/23/1061797023.db2.gz JWMLUTRABOPVTD-UHFFFAOYSA-N 0 0 463.648 2.909 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001286978308 1061797497 /nfs/dbraw/zinc/79/74/97/1061797497.db2.gz UHXXNWMQVVOOLM-CVEARBPZSA-N 0 0 452.550 2.749 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C)C(=O)C3)n2CCCCNC(=O)OC(C)(C)C)c1 ZINC001290071631 1061798955 /nfs/dbraw/zinc/79/89/55/1061798955.db2.gz QPUDZXIKVLGJIO-UHFFFAOYSA-N 0 0 472.590 2.749 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccccn2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001286978544 1061799563 /nfs/dbraw/zinc/79/95/63/1061799563.db2.gz VRZUBSWQYDSOST-QZMQVMSPSA-N 0 0 475.590 2.569 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCOC2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001286978553 1061800028 /nfs/dbraw/zinc/80/00/28/1061800028.db2.gz VVFPAKSOSGPYKF-KNKQGSTJSA-N 0 0 489.686 2.877 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCOc2ccccc2)n1Cc1ncnn1C(C)(C)C ZINC001286978666 1061800647 /nfs/dbraw/zinc/80/06/47/1061800647.db2.gz QPCHQZQUDBJIHO-MSOLQXFVSA-N 0 0 489.646 2.552 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1CCCCNC(=O)OC(C)(C)C ZINC001286978653 1061800751 /nfs/dbraw/zinc/80/07/51/1061800751.db2.gz WQLILLSZBSGXJE-SQNIBIBYSA-N 0 0 487.667 2.735 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCSCC(F)(F)F)c1 ZINC001290074172 1061802776 /nfs/dbraw/zinc/80/27/76/1061802776.db2.gz NJEOBGSXKDUPTE-HNNXBMFYSA-N 0 0 470.521 2.675 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCSCC(F)(F)F)c1 ZINC001290074174 1061802862 /nfs/dbraw/zinc/80/28/62/1061802862.db2.gz NJEOBGSXKDUPTE-OAHLLOKOSA-N 0 0 470.521 2.675 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CCN(C)c1ccccc1 ZINC001286978937 1061802999 /nfs/dbraw/zinc/80/29/99/1061802999.db2.gz XSQLETJUVFOONN-OALUTQOASA-N 0 0 456.616 2.658 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCc2nccc(C(F)(F)F)n2)CC1 ZINC001286979022 1061803445 /nfs/dbraw/zinc/80/34/45/1061803445.db2.gz ZMILQDFFKCPOCJ-INIZCTEOSA-N 0 0 495.550 2.918 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(F)(F)F)n1)S(C)(=O)=O ZINC001286979937 1061805694 /nfs/dbraw/zinc/80/56/94/1061805694.db2.gz JQDSZSJZDFAMNA-QWHCGFSZSA-N 0 0 456.494 2.993 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCn2cc(Br)cn2)c1 ZINC001290077391 1061806172 /nfs/dbraw/zinc/80/61/72/1061806172.db2.gz IHSLLPJLLLLQBY-UHFFFAOYSA-N 0 0 488.390 2.541 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CCNC(=O)OC(C)(C)C ZINC001286979366 1061806192 /nfs/dbraw/zinc/80/61/92/1061806192.db2.gz YOKALCCUDODGSN-GJZGRUSLSA-N 0 0 471.649 2.713 20 0 JFADRN Cc1cc(C)n(C[C@H]2CN(c3nnc(COc4cccc(C)c4)n3CCC(=O)NC(C)C)CCO2)n1 ZINC001290077490 1061806613 /nfs/dbraw/zinc/80/66/13/1061806613.db2.gz JWARJBFZIUTXGR-HSZRJFAPSA-N 0 0 495.628 2.799 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CCn1c(=O)[nH]c2ccccc21 ZINC001286979632 1061807288 /nfs/dbraw/zinc/80/72/88/1061807288.db2.gz YVXFLZICBPZSDT-HOTGVXAUSA-N 0 0 488.639 2.944 20 0 JFADRN 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CC(C)(C)[C@H]1CN(c2nnc(-c3cnccn3)n2CCNc2nccc(C(F)(F)F)n2)CCO1 ZINC001287018243 1061955813 /nfs/dbraw/zinc/95/58/13/1061955813.db2.gz LLMVRSWYEQHWLK-MRXNPFEDSA-N 0 0 477.495 2.907 20 0 JFADRN Cc1ccccc1OCCN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)C(C)(C)C ZINC001290212265 1061955909 /nfs/dbraw/zinc/95/59/09/1061955909.db2.gz MTACFALNJNNXNC-UHFFFAOYSA-N 0 0 482.585 2.992 20 0 JFADRN CC(C)(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001287018458 1061955943 /nfs/dbraw/zinc/95/59/43/1061955943.db2.gz FOMKWJNINBVHAX-SIKLNZKXSA-N 0 0 493.649 2.931 20 0 JFADRN CCCCOCCCn1c(C(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@@H]2C1 ZINC001294382810 1061956066 /nfs/dbraw/zinc/95/60/66/1061956066.db2.gz HMNDXPASPCKXCG-CEXWTWQISA-N 0 0 499.678 2.735 20 0 JFADRN CC(C)(C)Cc1nnc(N(CCS(C)(=O)=O)C2CC2)n1CCC(=O)N1CCCCCC1 ZINC001287018750 1061957097 /nfs/dbraw/zinc/95/70/97/1061957097.db2.gz UFEAFZWTLBPSFP-UHFFFAOYSA-N 0 0 453.653 2.673 20 0 JFADRN 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Cc1ccccc1OCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001290213704 1061959639 /nfs/dbraw/zinc/95/96/39/1061959639.db2.gz XDKLLNVTESYTGE-UHFFFAOYSA-N 0 0 491.518 2.961 20 0 JFADRN CC(C)(C)Cc1nnc(N(CCS(C)(=O)=O)C2CC2)n1CCN1CCc2ccccc2C1 ZINC001287020746 1061960111 /nfs/dbraw/zinc/96/01/11/1061960111.db2.gz WQTRSLWVGGWVPM-UHFFFAOYSA-N 0 0 459.660 2.938 20 0 JFADRN CC(C)(C)Cc1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001287021493 1061960884 /nfs/dbraw/zinc/96/08/84/1061960884.db2.gz QZNQQSBTSTVFDR-AWEZNQCLSA-N 0 0 451.559 2.927 20 0 JFADRN CCCCOCCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001294390211 1061961048 /nfs/dbraw/zinc/96/10/48/1061961048.db2.gz ROJJGQSVCOHVKF-HXUWFJFHSA-N 0 0 469.590 2.622 20 0 JFADRN CC(C)(C)[C@@H]1OCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001287021701 1061961439 /nfs/dbraw/zinc/96/14/39/1061961439.db2.gz PMTVGZLKTBHPQR-ABSDTBQOSA-N 0 0 488.658 2.813 20 0 JFADRN 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Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(-c3ccccn3)n2CCOC(C)(C)C)CC1 ZINC001290217858 1061964004 /nfs/dbraw/zinc/96/40/04/1061964004.db2.gz MWVMVLLNYPKFEP-UHFFFAOYSA-N 0 0 484.626 2.975 20 0 JFADRN CC(C)(C)Cc1nnc(N2CCC(CC(N)=O)CC2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001287023259 1061964216 /nfs/dbraw/zinc/96/42/16/1061964216.db2.gz KTJJPYMNYFATQJ-UHFFFAOYSA-N 0 0 468.528 2.879 20 0 JFADRN CCCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001294393629 1061964414 /nfs/dbraw/zinc/96/44/14/1061964414.db2.gz PBLBZRZNHUYRQR-UHFFFAOYSA-N 0 0 457.394 2.759 20 0 JFADRN Cc1ccccc1OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 ZINC001290218328 1061965559 /nfs/dbraw/zinc/96/55/59/1061965559.db2.gz KVPVYMMIVJWKTG-FQEVSTJZSA-N 0 0 477.631 2.625 20 0 JFADRN Cc1ccccc1OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 ZINC001290218330 1061965639 /nfs/dbraw/zinc/96/56/39/1061965639.db2.gz KVPVYMMIVJWKTG-HXUWFJFHSA-N 0 0 477.631 2.625 20 0 JFADRN CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)CC1 ZINC001294394843 1061966190 /nfs/dbraw/zinc/96/61/90/1061966190.db2.gz PSNBXVQXULICGH-UHFFFAOYSA-N 0 0 451.608 2.994 20 0 JFADRN Cc1ccccc1OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CC=CCC1 ZINC001290218871 1061966741 /nfs/dbraw/zinc/96/67/41/1061966741.db2.gz WMCCHROAJGZVRX-RBBKRZOGSA-N 0 0 489.642 2.791 20 0 JFADRN O=C(c1c[nH]nc1I)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC001294398259 1061967278 /nfs/dbraw/zinc/96/72/78/1061967278.db2.gz RGVVOZOKHGEATR-LBPRGKRZSA-N 0 0 450.280 2.771 20 0 JFADRN Cc1cccnc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001290220073 1061967993 /nfs/dbraw/zinc/96/79/93/1061967993.db2.gz DXHCBMITWARERV-HXUWFJFHSA-N 0 0 485.610 2.731 20 0 JFADRN Cc1cccnc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](COCc2ccccc2)C1 ZINC001290220129 1061968020 /nfs/dbraw/zinc/96/80/20/1061968020.db2.gz FITIRYUCRYWHRT-TZIWHRDSSA-N 0 0 484.626 2.683 20 0 JFADRN CCCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001294400015 1061968606 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PHCAUZVFXKIIEC-UHFFFAOYSA-N 0 0 479.459 2.803 20 0 JFADRN O=C(CCCC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc(Br)cc1 ZINC001290221611 1061970443 /nfs/dbraw/zinc/97/04/43/1061970443.db2.gz OFTIATFYJNEMMO-UHFFFAOYSA-N 0 0 450.377 2.569 20 0 JFADRN CC(C)(C)Cc1nnc(N2CCC(N3CCNC3=O)CC2)n1CCC(=O)Nc1ccccc1 ZINC001287025839 1061970961 /nfs/dbraw/zinc/97/09/61/1061970961.db2.gz YCKWHGHIWBGGPW-UHFFFAOYSA-N 0 0 453.591 2.890 20 0 JFADRN Cc1cccnc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(Br)o1 ZINC001290221875 1061971029 /nfs/dbraw/zinc/97/10/29/1061971029.db2.gz ROYTZTZTXYLVHD-CYBMUJFWSA-N 0 0 483.392 2.632 20 0 JFADRN CC(C)(C)Cc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1C[C@]1(O)CCOC1 ZINC001287026046 1061971542 /nfs/dbraw/zinc/97/15/42/1061971542.db2.gz QUPSLTCAHWHCBY-JOCHJYFZSA-N 0 0 450.530 2.784 20 0 JFADRN CCCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001294403192 1061971756 /nfs/dbraw/zinc/97/17/56/1061971756.db2.gz GHFGQRZMXAGDBJ-DLBZAZTESA-N 0 0 450.584 2.539 20 0 JFADRN CC(C)(C)Cc1nnc(N2CC[C@@]3(C2)OCc2ccccc23)n1CCOCCS(C)(=O)=O ZINC001287026317 1061971999 /nfs/dbraw/zinc/97/19/99/1061971999.db2.gz LQKVFYKKUMHSTH-QHCPKHFHSA-N 0 0 462.616 2.564 20 0 JFADRN CC(C)(C)Cc1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001287026308 1061972198 /nfs/dbraw/zinc/97/21/98/1061972198.db2.gz WAKXISBBKKOMOM-KSFYIVLOSA-N 0 0 450.580 2.538 20 0 JFADRN CCCCOCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001294404334 1061972604 /nfs/dbraw/zinc/97/26/04/1061972604.db2.gz VGBIFTDGHMDSKC-INIZCTEOSA-N 0 0 454.531 2.800 20 0 JFADRN CC(C)(C)Cc1nnc(N2CCC(OCC(N)=O)CC2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001287026477 1061972693 /nfs/dbraw/zinc/97/26/93/1061972693.db2.gz YDDMOXLBCPPVHP-UHFFFAOYSA-N 0 0 458.607 2.958 20 0 JFADRN Cc1cccnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC001290224312 1061972780 /nfs/dbraw/zinc/97/27/80/1061972780.db2.gz SSLFRFFMUIHDDE-PZJWPPBQSA-N 0 0 496.637 2.588 20 0 JFADRN 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CCCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC2([S@](C)=O)CC2)CC1=O ZINC001294740190 1062323394 /nfs/dbraw/zinc/32/33/94/1062323394.db2.gz MEMKGOPSGXVLJZ-XIFFEERXSA-N 0 0 473.643 2.834 20 0 JFADRN CCCN1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccnc(OC(F)F)c2)CC1=O ZINC001294740172 1062323492 /nfs/dbraw/zinc/32/34/92/1062323492.db2.gz LDTCXBPRQVFAAM-UHFFFAOYSA-N 0 0 488.543 2.633 20 0 JFADRN CC(C)C(=O)N1CCCN(c2nnc(-c3ccccc3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001287110074 1062323690 /nfs/dbraw/zinc/32/36/90/1062323690.db2.gz QKOYREJABXOBBE-UHFFFAOYSA-N 0 0 461.632 2.853 20 0 JFADRN CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCC2(C)C)CC1 ZINC001287109935 1062323712 /nfs/dbraw/zinc/32/37/12/1062323712.db2.gz MVSUXHLIKZMANZ-OALUTQOASA-N 0 0 465.664 2.701 20 0 JFADRN Cc1nccn1CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001290523945 1062324241 /nfs/dbraw/zinc/32/42/41/1062324241.db2.gz VOAHLEBXPLPXJH-UXHICEINSA-N 0 0 457.623 2.756 20 0 JFADRN O=C(NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC001294740377 1062324287 /nfs/dbraw/zinc/32/42/87/1062324287.db2.gz ANTXPUQFKIJFME-UHFFFAOYSA-N 0 0 456.545 2.747 20 0 JFADRN Cc1nccn1CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001290523971 1062324467 /nfs/dbraw/zinc/32/44/67/1062324467.db2.gz WITXAGGQCVXQAD-HXUWFJFHSA-N 0 0 458.588 2.765 20 0 JFADRN CCCN1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCn2cncn2)CC1=O ZINC001294740673 1062324388 /nfs/dbraw/zinc/32/43/88/1062324388.db2.gz OXCPGGZHQIKKTL-UHFFFAOYSA-N 0 0 480.617 2.895 20 0 JFADRN CCCN1CCCN(c2nnc(CN3CCCC3=O)n2Cc2cscc2C(F)(F)F)CC1=O ZINC001294740677 1062324405 /nfs/dbraw/zinc/32/44/05/1062324405.db2.gz PBXFIVYZVLZZRH-UHFFFAOYSA-N 0 0 484.548 2.978 20 0 JFADRN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC001294740501 1062324804 /nfs/dbraw/zinc/32/48/04/1062324804.db2.gz IIOAUROIALSCJX-HNNXBMFYSA-N 0 0 458.502 2.845 20 0 JFADRN CCCN1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC(=O)NC)CC1=O ZINC001294740713 1062325276 /nfs/dbraw/zinc/32/52/76/1062325276.db2.gz QDKKUDPXVSUWMV-UHFFFAOYSA-N 0 0 470.618 2.739 20 0 JFADRN Cc1nccn1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001290524708 1062326464 /nfs/dbraw/zinc/32/64/64/1062326464.db2.gz KGMYTJUEHQNPST-GDBMZVCRSA-N 0 0 464.542 2.861 20 0 JFADRN CC(C)C(=O)N1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2nc(C(C)C)cs2)CC1 ZINC001287111597 1062326562 /nfs/dbraw/zinc/32/65/62/1062326562.db2.gz BLGZROJUPNXVKL-UHFFFAOYSA-N 0 0 473.647 2.837 20 0 JFADRN CC(C)=CCCn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001287111135 1062326591 /nfs/dbraw/zinc/32/65/91/1062326591.db2.gz PZPJHVDICZDITL-UHFFFAOYSA-N 0 0 452.650 2.850 20 0 JFADRN CC(C)C(=O)N1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2([S@@](C)=O)CC2)CC1 ZINC001287111683 1062326899 /nfs/dbraw/zinc/32/68/99/1062326899.db2.gz FNMQKABUVRLBPJ-SSEXGKCCSA-N 0 0 497.463 2.642 20 0 JFADRN CCCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2CCCC(=O)N(C)C)CC1=O ZINC001294741370 1062327497 /nfs/dbraw/zinc/32/74/97/1062327497.db2.gz ZGNISIGIGQCOOS-UHFFFAOYSA-N 0 0 470.618 2.791 20 0 JFADRN CC(C)C(=O)N1CCCN(c2nnc(COc3ccccc3F)n2CC2(C(N)=O)CCCC2)CC1 ZINC001287112202 1062328478 /nfs/dbraw/zinc/32/84/78/1062328478.db2.gz JTTPUHFHYVPTID-UHFFFAOYSA-N 0 0 486.592 2.737 20 0 JFADRN CC(C)C(=O)N1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001287112307 1062328810 /nfs/dbraw/zinc/32/88/10/1062328810.db2.gz LQSAOSOYWGTLOU-OFNKIYASSA-N 0 0 488.677 2.937 20 0 JFADRN Cc1nccn1CCn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001290528421 1062328836 /nfs/dbraw/zinc/32/88/36/1062328836.db2.gz GNJWOAUAICGVRR-DVECYGJZSA-N 0 0 489.621 2.627 20 0 JFADRN CCCN1CCCN(c2nnc(COCC)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)CC1=O ZINC001294742165 1062329023 /nfs/dbraw/zinc/32/90/23/1062329023.db2.gz ARLXJCVGHARUJJ-NRFANRHFSA-N 0 0 484.645 2.532 20 0 JFADRN Cc1nccnc1CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001290528858 1062329178 /nfs/dbraw/zinc/32/91/78/1062329178.db2.gz BZEVTNZBJBIMGO-SFHVURJKSA-N 0 0 460.991 2.953 20 0 JFADRN 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ZINC001294742908 1062330129 /nfs/dbraw/zinc/33/01/29/1062330129.db2.gz YJASCAAHQOBCAO-OAHLLOKOSA-N 0 0 456.486 2.826 20 0 JFADRN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001290529661 1062330569 /nfs/dbraw/zinc/33/05/69/1062330569.db2.gz OTGQBICKPUVNNV-RTBURBONSA-N 0 0 455.902 2.698 20 0 JFADRN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001290529660 1062330701 /nfs/dbraw/zinc/33/07/01/1062330701.db2.gz OTGQBICKPUVNNV-RBUKOAKNSA-N 0 0 455.902 2.698 20 0 JFADRN CCCN1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2ccn(C)n2)CC1=O ZINC001294742988 1062330782 /nfs/dbraw/zinc/33/07/82/1062330782.db2.gz JWLOUMLWVCGKNK-UHFFFAOYSA-N 0 0 471.993 2.935 20 0 JFADRN C[C@H](NC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)[C@H]1CN(C)CCO1 ZINC001294743137 1062330806 /nfs/dbraw/zinc/33/08/06/1062330806.db2.gz WPQWVBIDULVCLR-ZBQZNYHESA-N 0 0 459.509 2.765 20 0 JFADRN CC(C)C(=O)N1CCCN(c2nnc(Cc3ccccn3)n2C[C@H]2CSCCS2)CC1 ZINC001287112572 1062330678 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CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2)CC1 ZINC001287154882 1062536711 /nfs/dbraw/zinc/53/67/11/1062536711.db2.gz GLHLRSCNWLSHBA-GHTZIAJQSA-N 0 0 473.643 2.606 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@](C)(O)c2ccsc2)n1 ZINC001290646709 1062538030 /nfs/dbraw/zinc/53/80/30/1062538030.db2.gz RVYLDOBZPLBCFJ-HXUWFJFHSA-N 0 0 483.564 2.793 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@]2(O)CCCC2(C)C)n1 ZINC001290646616 1062538096 /nfs/dbraw/zinc/53/80/96/1062538096.db2.gz JATLEEAZFGLBFA-OAQYLSRUSA-N 0 0 469.556 2.765 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@H](c4ccc(F)c(F)c4)C3)n2CCCC(=O)N(C)C)n1 ZINC001290646846 1062538716 /nfs/dbraw/zinc/53/87/16/1062538716.db2.gz ACVGUFHJVDZTEU-NRFANRHFSA-N 0 0 487.555 2.864 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@H](CNC(=O)OC(C)(C)C)C3)n2C[C@H]2CC2(C)C)n1 ZINC001290646961 1062539069 /nfs/dbraw/zinc/53/90/69/1062539069.db2.gz ANCQOCABPHTEOC-RTBURBONSA-N 0 0 473.622 2.916 20 0 JFADRN CCCNC(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001294844576 1062539145 /nfs/dbraw/zinc/53/91/45/1062539145.db2.gz AMHCTDHRXYLICD-UHFFFAOYSA-N 0 0 487.008 2.584 20 0 JFADRN CCCNC(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001294844623 1062539254 /nfs/dbraw/zinc/53/92/54/1062539254.db2.gz AYUGSKYQBQXPRA-UHFFFAOYSA-N 0 0 486.617 2.573 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](CNC(=O)OC(C)(C)C)C3)n2C[C@H]2CC2(C)C)n1 ZINC001290646951 1062539228 /nfs/dbraw/zinc/53/92/28/1062539228.db2.gz ANCQOCABPHTEOC-MOPGFXCFSA-N 0 0 473.622 2.916 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CCN(Cc4ccc(Cl)cc4)C(=O)C3)n2CCC(C)(C)O)n1 ZINC001290647138 1062539684 /nfs/dbraw/zinc/53/96/84/1062539684.db2.gz MQQCWGYPJJMCFB-UHFFFAOYSA-N 0 0 486.020 2.803 20 0 JFADRN CCCNC(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001294845509 1062540426 /nfs/dbraw/zinc/54/04/26/1062540426.db2.gz HANHRMFXLYLJIJ-CYBMUJFWSA-N 0 0 453.374 2.870 20 0 JFADRN CCCNC(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001294846028 1062540741 /nfs/dbraw/zinc/54/07/41/1062540741.db2.gz LQXUQFYOPWUHMZ-KRWDZBQOSA-N 0 0 477.009 2.828 20 0 JFADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001287155722 1062540823 /nfs/dbraw/zinc/54/08/23/1062540823.db2.gz KODQNLUXOJWIFX-ICSRJNTNSA-N 0 0 479.691 2.823 20 0 JFADRN CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001287155758 1062541117 /nfs/dbraw/zinc/54/11/17/1062541117.db2.gz JJBMFZMVYRPKMN-NZSAHSFTSA-N 0 0 469.590 2.604 20 0 JFADRN CCCNC(=O)CCn1c(-c2ccc(OC)cc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC001294846370 1062541784 /nfs/dbraw/zinc/54/17/84/1062541784.db2.gz QDMVKJWVTWOBPD-FQEVSTJZSA-N 0 0 478.601 2.765 20 0 JFADRN CCCNC(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001294846851 1062543483 /nfs/dbraw/zinc/54/34/83/1062543483.db2.gz KESDCCRFWNBVIF-FXAWDEMLSA-N 0 0 461.010 2.672 20 0 JFADRN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C(N)=O)cc2)CC1 ZINC001287156413 1062543445 /nfs/dbraw/zinc/54/34/45/1062543445.db2.gz NZRZQOOQBZKVAI-AVRDEDQJSA-N 0 0 482.629 2.696 20 0 JFADRN CCCNC(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001294846855 1062544099 /nfs/dbraw/zinc/54/40/99/1062544099.db2.gz KESDCCRFWNBVIF-XLIONFOSSA-N 0 0 461.010 2.672 20 0 JFADRN CC(C)[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)NC(=O)OC(C)(C)C ZINC001287156753 1062544309 /nfs/dbraw/zinc/54/43/09/1062544309.db2.gz QJTWJYXZZIJGMM-UUOWRZLLSA-N 0 0 469.590 2.748 20 0 JFADRN CCCNC(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001294846853 1062544190 /nfs/dbraw/zinc/54/41/90/1062544190.db2.gz KESDCCRFWNBVIF-PXNSSMCTSA-N 0 0 461.010 2.672 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CCN(C[C@@H]4CCCO4)CC3)n2CCSCC(F)(F)F)n1 ZINC001290648264 1062544439 /nfs/dbraw/zinc/54/44/39/1062544439.db2.gz RQPYWVKSOLOWRL-SFHVURJKSA-N 0 0 487.596 2.736 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CCN(CC(F)(F)F)CC3)n2CCOc2ccccc2)n1 ZINC001290648755 1062545623 /nfs/dbraw/zinc/54/56/23/1062545623.db2.gz VMCDOWBXIJEYBW-UHFFFAOYSA-N 0 0 463.508 2.903 20 0 JFADRN CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCO[C@H](Cn2cccn2)C1)NC(=O)OC(C)(C)C ZINC001287156918 1062545656 /nfs/dbraw/zinc/54/56/56/1062545656.db2.gz RSWVWIVGWGWBEF-PZJWPPBQSA-N 0 0 496.616 2.991 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)n1 ZINC001290648986 1062546199 /nfs/dbraw/zinc/54/61/99/1062546199.db2.gz NNUIVYNOWQBBEW-IFMALSPDSA-N 0 0 497.619 2.874 20 0 JFADRN CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](CC(N)=O)C1)NC(=O)OC(C)(C)C ZINC001287157106 1062546384 /nfs/dbraw/zinc/54/63/84/1062546384.db2.gz SYFJJWLNFYSUJA-HKUYNNGSSA-N 0 0 471.606 2.981 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CCOC(C)(C)[C@H]3C)n2CCCNC(=O)c2occc2C)n1 ZINC001290649261 1062546753 /nfs/dbraw/zinc/54/67/53/1062546753.db2.gz ORFCQNUKXZAUKG-LJQANCHMSA-N 0 0 469.590 2.865 20 0 JFADRN 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CC(C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)N1CCOCC1 ZINC001287157912 1062548472 /nfs/dbraw/zinc/54/84/72/1062548472.db2.gz ADDAMGOXOUQUAZ-LEWJYISDSA-N 0 0 492.665 2.586 20 0 JFADRN CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnn(C)c1)NC(=O)OC(C)(C)C ZINC001287157729 1062548729 /nfs/dbraw/zinc/54/87/29/1062548729.db2.gz ORPOLRAHTDPPSO-SFHVURJKSA-N 0 0 497.604 2.845 20 0 JFADRN CCCNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC001294848819 1062548828 /nfs/dbraw/zinc/54/88/28/1062548828.db2.gz GTOVKZASZIWUBJ-OXQOHEQNSA-N 0 0 455.538 2.700 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCc2ccc(O)cc2)n1 ZINC001290650182 1062549096 /nfs/dbraw/zinc/54/90/96/1062549096.db2.gz YEOIOXWNLXHERU-GOSISDBHSA-N 0 0 450.465 2.856 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCc2ccc(O)cc2)n1 ZINC001290650184 1062549280 /nfs/dbraw/zinc/54/92/80/1062549280.db2.gz YEOIOXWNLXHERU-SFHVURJKSA-N 0 0 450.465 2.856 20 0 JFADRN 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/nfs/dbraw/zinc/71/40/27/1062714027.db2.gz GMZZGAMLKPRMFL-IBGZPJMESA-N 0 0 456.557 2.994 20 0 JFADRN CC(C)c1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1CCS(=O)(=O)N(C)C ZINC001287225552 1062714295 /nfs/dbraw/zinc/71/42/95/1062714295.db2.gz GWWLOYVUMJITPU-HNNXBMFYSA-N 0 0 470.665 2.625 20 0 JFADRN CC(C)c1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001287226281 1062714409 /nfs/dbraw/zinc/71/44/09/1062714409.db2.gz UKDJLHOWBDWGPN-RXVVDRJESA-N 0 0 485.555 2.540 20 0 JFADRN CC(C)c1nnc(N2CCO[C@H](Cn3cccn3)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001287228563 1062715887 /nfs/dbraw/zinc/71/58/87/1062715887.db2.gz OCBVCQJYDOQZFL-FQEVSTJZSA-N 0 0 452.563 2.645 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2Cc2snnc2C)cc1OC ZINC001294938041 1062715867 /nfs/dbraw/zinc/71/58/67/1062715867.db2.gz CVEKNJTWHBSCIW-OAHLLOKOSA-N 0 0 471.587 2.618 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2[C@@H]2C[C@@H]2C)cc1OC ZINC001294937681 1062715900 /nfs/dbraw/zinc/71/59/00/1062715900.db2.gz CAKRYWXIENBBNL-FUHWJXTLSA-N 0 0 463.604 2.795 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCN(C(=O)OC)CC3)n2CCc2nccnc2C)cc1OC ZINC001294938133 1062716552 /nfs/dbraw/zinc/71/65/52/1062716552.db2.gz DZJCHSCONVTNHZ-UHFFFAOYSA-N 0 0 495.584 2.972 20 0 JFADRN CC(C)c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC2(C1)OCCO2 ZINC001287229219 1062717006 /nfs/dbraw/zinc/71/70/06/1062717006.db2.gz WICYMUKXJPHYBR-QZTJIDSGSA-N 0 0 465.595 2.675 20 0 JFADRN Cc1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1CCOCCS(C)(=O)=O ZINC001290822724 1062717383 /nfs/dbraw/zinc/71/73/83/1062717383.db2.gz CUZCCFUYKFLXLK-ZDUSSCGKSA-N 0 0 467.539 2.507 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2CC(=O)N(C)C2CCCCC2)cc1OC ZINC001294938558 1062717592 /nfs/dbraw/zinc/71/75/92/1062717592.db2.gz IBGYNOBWAGMHFK-UHFFFAOYSA-N 0 0 498.628 2.812 20 0 JFADRN Cc1nnc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1cccnc1N1CCOCC1 ZINC001290824259 1062717900 /nfs/dbraw/zinc/71/79/00/1062717900.db2.gz UPGFTMQAUXUWSY-AZUAARDMSA-N 0 0 485.633 2.996 20 0 JFADRN CC(C)c1noc([C@@H](C)N2CCN(c3nnc(C(C)(C)C)n3CCC3(O)CCOCC3)CC2)n1 ZINC001287230048 1062718248 /nfs/dbraw/zinc/71/82/48/1062718248.db2.gz GNJFVRDRHJZLBN-GOSISDBHSA-N 0 0 475.638 2.897 20 0 JFADRN CC(C)(C)c1nnc2ccc(C(=O)N3CCC(NS(=O)(=O)c4ccc(F)cc4)CC3)cn21 ZINC001290824821 1062719160 /nfs/dbraw/zinc/71/91/60/1062719160.db2.gz ZGEZZLDMHOHKDI-UHFFFAOYSA-N 0 0 459.547 2.749 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2cccnc2OC)cc1OC ZINC001294939441 1062719360 /nfs/dbraw/zinc/71/93/60/1062719360.db2.gz SMRDTNQEUKUTJG-SFHVURJKSA-N 0 0 480.569 2.896 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2CCc2cn[nH]c2)cc1OC ZINC001294939501 1062719879 /nfs/dbraw/zinc/71/98/79/1062719879.db2.gz UYPXYWKAFHUVFY-QGZVFWFLSA-N 0 0 467.574 2.765 20 0 JFADRN CC(C)c1noc([C@@H](C)N2CCN(c3nnc(C(C)C)n3CCC3(O)CCOCC3)CC2)n1 ZINC001287231467 1062720441 /nfs/dbraw/zinc/72/04/41/1062720441.db2.gz OANCHFPDOGTZNC-GOSISDBHSA-N 0 0 461.611 2.723 20 0 JFADRN Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1c1cnn(C)c1 ZINC001290827053 1062720406 /nfs/dbraw/zinc/72/04/06/1062720406.db2.gz CMRJKAODUDOBES-RTBURBONSA-N 0 0 458.611 2.730 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCNC(=O)[C@@H]3CC)n2CC[C@@H]2CCOC2)cc1OC ZINC001294939579 1062720578 /nfs/dbraw/zinc/72/05/78/1062720578.db2.gz ARSRTWILXVNDMY-MJGOQNOKSA-N 0 0 457.575 2.884 20 0 JFADRN Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001290827791 1062720990 /nfs/dbraw/zinc/72/09/90/1062720990.db2.gz HNLLXXMVFCNHAH-SJORKVTESA-N 0 0 476.544 2.591 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCO[C@H](C(=O)NC)C3)n2C[C@]2(C)CCCS2)cc1OC ZINC001294939702 1062721732 /nfs/dbraw/zinc/72/17/32/1062721732.db2.gz BXGFHDGIBRRFSS-RDPSFJRHSA-N 0 0 489.642 2.979 20 0 JFADRN CC(C)[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(C)CN(C)C2=O)C1 ZINC001287231954 1062721657 /nfs/dbraw/zinc/72/16/57/1062721657.db2.gz SJXOEYTXHZSJGM-FDDCHVKYSA-N 0 0 459.616 2.699 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCN(c4nccnc4C)CC3)n2CCOC)cc1OC ZINC001294939722 1062721817 /nfs/dbraw/zinc/72/18/17/1062721817.db2.gz YOJKPVGIDMQPPB-UHFFFAOYSA-N 0 0 467.574 2.814 20 0 JFADRN CC(C)c1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001287232001 1062722201 /nfs/dbraw/zinc/72/22/01/1062722201.db2.gz RAUHIKLTBJEPTA-QYWGDWMGSA-N 0 0 488.555 2.768 20 0 JFADRN CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCC(=O)N(C)C)C1 ZINC001287232300 1062723331 /nfs/dbraw/zinc/72/33/31/1062723331.db2.gz UHHZUJIOQIXNTD-HXUWFJFHSA-N 0 0 490.674 2.936 20 0 JFADRN CC(C)[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCOCC2)C1 ZINC001287232205 1062723439 /nfs/dbraw/zinc/72/34/39/1062723439.db2.gz NZKPEFLVGWMAEO-LJQANCHMSA-N 0 0 460.648 2.864 20 0 JFADRN CC(C)c1noc([C@H](C)N2CCN(c3nnc(C(C)C)n3CCCO[C@H]3CCOC3)CC2)n1 ZINC001287232278 1062723479 /nfs/dbraw/zinc/72/34/79/1062723479.db2.gz SVFPTKNRYWTWBH-OALUTQOASA-N 0 0 461.611 2.987 20 0 JFADRN Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1Cc1cccc(-n2cncn2)c1 ZINC001290829718 1062723621 /nfs/dbraw/zinc/72/36/21/1062723621.db2.gz WPPILZABKULJLD-IBGZPJMESA-N 0 0 452.563 2.957 20 0 JFADRN CC(C)c1noc([C@H](C)N2CCN(c3nnc(C(C)C)n3C[C@@H]3CCCS(=O)(=O)C3)CC2)n1 ZINC001287232356 1062723959 /nfs/dbraw/zinc/72/39/59/1062723959.db2.gz VJHVJXVOCGNKSU-ROUUACIJSA-N 0 0 479.651 2.616 20 0 JFADRN CC(C)[C@@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001287233458 1062725596 /nfs/dbraw/zinc/72/55/96/1062725596.db2.gz XYIGZBYJOOZXEQ-FQEVSTJZSA-N 0 0 459.616 2.732 20 0 JFADRN CC(C)c1noc([C@@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CC(=O)NCC(F)F)CC2)n1 ZINC001287233167 1062725618 /nfs/dbraw/zinc/72/56/18/1062725618.db2.gz ZOBIDLVJLWTXTJ-OAHLLOKOSA-N 0 0 482.580 2.638 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCNC(=O)C3)n2Cc2ccc(Cl)nc2)cc1OC ZINC001294940586 1062725685 /nfs/dbraw/zinc/72/56/85/1062725685.db2.gz RTPHWIHUFJFWFU-UHFFFAOYSA-N 0 0 456.934 2.775 20 0 JFADRN Cc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001290833991 1062726450 /nfs/dbraw/zinc/72/64/50/1062726450.db2.gz YOEHEVFIVPFAQH-HZPDHXFCSA-N 0 0 466.443 2.740 20 0 JFADRN CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)Cc2cccc(F)c2)C1 ZINC001287234037 1062726608 /nfs/dbraw/zinc/72/66/08/1062726608.db2.gz SLFHYUOUDYSYIH-UXHICEINSA-N 0 0 491.633 2.551 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCn4nc(C)nc4C3)n2C[C@](C)(O)CC)cc1OC ZINC001294940657 1062726643 /nfs/dbraw/zinc/72/66/43/1062726643.db2.gz TUOOIWXUSFZEPF-HSZRJFAPSA-N 0 0 455.563 2.824 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCNC(=O)C3)n2CC2(SC)CCOCC2)cc1OC ZINC001294940937 1062726862 /nfs/dbraw/zinc/72/68/62/1062726862.db2.gz VAIDYXXRCLHFFN-UHFFFAOYSA-N 0 0 475.615 2.591 20 0 JFADRN CC(C)[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)CC(F)(F)F)C1 ZINC001287234537 1062727208 /nfs/dbraw/zinc/72/72/08/1062727208.db2.gz WLOUXBQFPJCQJR-HOTGVXAUSA-N 0 0 451.559 2.547 20 0 JFADRN O=C(NCC(F)(F)F)C1CCN(C(=O)c2ccc(I)cc2O)CC1 ZINC001290837135 1062727611 /nfs/dbraw/zinc/72/76/11/1062727611.db2.gz KWGYGBFONJPYGI-UHFFFAOYSA-N 0 0 456.202 2.528 20 0 JFADRN CCCc1c(C(=O)NCCS(=O)(=O)NC(C)(C)C)cnn1-c1cc(F)c(OC)cc1F ZINC001290838030 1062728015 /nfs/dbraw/zinc/72/80/15/1062728015.db2.gz WQWINYJGICSXCR-UHFFFAOYSA-N 0 0 458.531 2.559 20 0 JFADRN Cn1ncc(C(F)(F)F)c1CNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC001287236361 1062728259 /nfs/dbraw/zinc/72/82/59/1062728259.db2.gz USHOXXPYUJAGGW-UHFFFAOYSA-N 0 0 450.508 2.534 20 0 JFADRN C[C@H](C(=O)Nc1ccc(NC(=O)c2cnn3cc(Br)cnc23)cc1)n1cncn1 ZINC001290839656 1062728721 /nfs/dbraw/zinc/72/87/21/1062728721.db2.gz QMUJBFDDMRYOEJ-LLVKDONJSA-N 0 0 455.276 2.535 20 0 JFADRN CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1NC(=O)CC1(C)C ZINC001287238305 1062728665 /nfs/dbraw/zinc/72/86/65/1062728665.db2.gz HBLNDSWOPDMVOI-VQTJNVASSA-N 0 0 488.658 2.735 20 0 JFADRN CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001287239223 1062729410 /nfs/dbraw/zinc/72/94/10/1062729410.db2.gz MWKQCTGXXIYPJB-SCLBCKFNSA-N 0 0 489.461 2.944 20 0 JFADRN CC(C)[C@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cc(CO)nn1 ZINC001287239966 1062729688 /nfs/dbraw/zinc/72/96/88/1062729688.db2.gz UHZDWYXYPVVWKS-QGZVFWFLSA-N 0 0 463.384 2.835 20 0 JFADRN CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001287239224 1062729784 /nfs/dbraw/zinc/72/97/84/1062729784.db2.gz MWKQCTGXXIYPJB-UGSOOPFHSA-N 0 0 489.461 2.944 20 0 JFADRN CC(C)[C@@H]1CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCSCCCO ZINC001287242331 1062730388 /nfs/dbraw/zinc/73/03/88/1062730388.db2.gz JLNSQCPDTIHCEH-IBGZPJMESA-N 0 0 456.616 2.932 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2CCS(=O)(=O)N(C)C)cc1OC ZINC001294945867 1062730477 /nfs/dbraw/zinc/73/04/77/1062730477.db2.gz HQBKBRJTENSRPB-IAGOWNOFSA-N 0 0 497.687 2.964 20 0 JFADRN CC(C)[C@H]1CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 ZINC001287245213 1062731033 /nfs/dbraw/zinc/73/10/33/1062731033.db2.gz AGTCCOPSASORJI-RBUKOAKNSA-N 0 0 451.637 2.598 20 0 JFADRN Cc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1Cc1ncnn1C(C)(C)C ZINC001290842073 1062731298 /nfs/dbraw/zinc/73/12/98/1062731298.db2.gz LMWVPLLFPMVFJF-UHFFFAOYSA-N 0 0 450.591 2.653 20 0 JFADRN CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 ZINC001287247397 1062733070 /nfs/dbraw/zinc/73/30/70/1062733070.db2.gz ZACWSJAJSZMUTJ-IKGGRYGDSA-N 0 0 461.579 2.671 20 0 JFADRN CCCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC001294948457 1062733970 /nfs/dbraw/zinc/73/39/70/1062733970.db2.gz CGIVPSJYORLRRN-HXUWFJFHSA-N 0 0 482.629 2.900 20 0 JFADRN Cc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CCCn1cc(Br)cn1 ZINC001290850883 1062734255 /nfs/dbraw/zinc/73/42/55/1062734255.db2.gz AGEGFLYFYKOTPB-UHFFFAOYSA-N 0 0 464.393 2.660 20 0 JFADRN CCCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCC(NS(C)(=O)=O)CC2)cn1 ZINC001294948718 1062734692 /nfs/dbraw/zinc/73/46/92/1062734692.db2.gz FVOHPWKJUOQHFF-INIZCTEOSA-N 0 0 450.609 2.542 20 0 JFADRN Cc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001290851400 1062734926 /nfs/dbraw/zinc/73/49/26/1062734926.db2.gz JNXAVBPCWJLIRA-UHFFFAOYSA-N 0 0 463.586 2.975 20 0 JFADRN CC(C)[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNC(=O)C(C)(C)C)C1 ZINC001287252485 1062735085 /nfs/dbraw/zinc/73/50/85/1062735085.db2.gz DJNGQKRRBWOEAJ-SFHVURJKSA-N 0 0 461.632 2.993 20 0 JFADRN CCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(F)(F)F)CC2)cc1 ZINC001294950148 1062736850 /nfs/dbraw/zinc/73/68/50/1062736850.db2.gz XXSVALJWZOJBFZ-UHFFFAOYSA-N 0 0 468.524 2.938 20 0 JFADRN CC(C)[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC001287258491 1062737390 /nfs/dbraw/zinc/73/73/90/1062737390.db2.gz HNZGVTMXYJFLPO-SJLPKXTDSA-N 0 0 453.513 2.871 20 0 JFADRN CC(C)[C@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCNS(C)(=O)=O)C1 ZINC001287258784 1062737451 /nfs/dbraw/zinc/73/74/51/1062737451.db2.gz OKRKCHDMXQADKP-SFHVURJKSA-N 0 0 457.604 2.552 20 0 JFADRN CC(C)[C@@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCNS(C)(=O)=O)C1 ZINC001287258782 1062737478 /nfs/dbraw/zinc/73/74/78/1062737478.db2.gz OKRKCHDMXQADKP-GOSISDBHSA-N 0 0 457.604 2.552 20 0 JFADRN Cc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001290853162 1062738058 /nfs/dbraw/zinc/73/80/58/1062738058.db2.gz YUMWNCBWSYRUEL-SFHVURJKSA-N 0 0 453.465 2.555 20 0 JFADRN C[C@H]1CCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)C[C@H]1n1ccnc1 ZINC001294952134 1062738148 /nfs/dbraw/zinc/73/81/48/1062738148.db2.gz AIYIZTZKNYZANZ-HNAYVOBHSA-N 0 0 458.360 2.826 20 0 JFADRN C[C@H](CNC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC001287264493 1062739041 /nfs/dbraw/zinc/73/90/41/1062739041.db2.gz PPWLFWSMFUHDIV-CYBMUJFWSA-N 0 0 458.458 2.886 20 0 JFADRN Cc1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001290856301 1062739455 /nfs/dbraw/zinc/73/94/55/1062739455.db2.gz DVLVDHBNPHNCBS-MRXNPFEDSA-N 0 0 450.509 2.787 20 0 JFADRN 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ZINC001287271455 1062745088 /nfs/dbraw/zinc/74/50/88/1062745088.db2.gz PHWNQUSMEXTQMW-UHFFFAOYSA-N 0 0 467.599 2.684 20 0 JFADRN Cn1cc(C(=O)c2cccc3ccccc32)cc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001290861285 1062745350 /nfs/dbraw/zinc/74/53/50/1062745350.db2.gz QIQLQUBLHXSSPL-KRWDZBQOSA-N 0 0 453.564 2.811 20 0 JFADRN CCCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC001294964994 1062746585 /nfs/dbraw/zinc/74/65/85/1062746585.db2.gz LGCRTGFOSRPWJZ-FQEVSTJZSA-N 0 0 455.584 2.724 20 0 JFADRN CCCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001294964995 1062746650 /nfs/dbraw/zinc/74/66/50/1062746650.db2.gz LGCRTGFOSRPWJZ-HXUWFJFHSA-N 0 0 455.584 2.724 20 0 JFADRN CCCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2C[C@H](C)O[C@H](COC)C2)cn1 ZINC001294965487 1062747002 /nfs/dbraw/zinc/74/70/02/1062747002.db2.gz OKFAEWWKDQWIOV-RXVVDRJESA-N 0 0 452.559 2.736 20 0 JFADRN CCCOc1ccc(Cn2c(CC)nnc2N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)cc1OC ZINC001294965500 1062747027 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LXTRAMMHNSOTRO-OAHLLOKOSA-N 0 0 451.641 2.751 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC2(O)CCOCC2)CCO1 ZINC001287274391 1062748990 /nfs/dbraw/zinc/74/89/90/1062748990.db2.gz PBMRCFQMEUKOSG-KRWDZBQOSA-N 0 0 468.396 2.829 20 0 JFADRN Cc1nnc(N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)n1CCOc1ccccc1Cl ZINC001290868079 1062750767 /nfs/dbraw/zinc/75/07/67/1062750767.db2.gz SOHALQADHKDEBO-OALUTQOASA-N 0 0 475.037 2.945 20 0 JFADRN Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CCOc1ccccc1Cl ZINC001290868080 1062750810 /nfs/dbraw/zinc/75/08/10/1062750810.db2.gz SOHALQADHKDEBO-RTBURBONSA-N 0 0 475.037 2.945 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2Cc2cnnn2C)CCO1 ZINC001287274589 1062750785 /nfs/dbraw/zinc/75/07/85/1062750785.db2.gz SFQCXNQKUZNHNL-KRWDZBQOSA-N 0 0 464.343 2.885 20 0 JFADRN Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CCOc1ccccc1Cl ZINC001290868077 1062750916 /nfs/dbraw/zinc/75/09/16/1062750916.db2.gz SOHALQADHKDEBO-KDURUIRLSA-N 0 0 475.037 2.945 20 0 JFADRN CCCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)cn1 ZINC001294969044 1062751146 /nfs/dbraw/zinc/75/11/46/1062751146.db2.gz SITPXOTWXQAWAT-JOCHJYFZSA-N 0 0 480.617 2.676 20 0 JFADRN CCCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCN(C)C(=O)[C@@H]2C)cn1 ZINC001294969827 1062752387 /nfs/dbraw/zinc/75/23/87/1062752387.db2.gz ZXVKNGVBPJXOQW-HNNXBMFYSA-N 0 0 455.588 2.533 20 0 JFADRN Cc1c(C(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)cnn1CCO[C@H]1CCCCO1 ZINC001290869215 1062752805 /nfs/dbraw/zinc/75/28/05/1062752805.db2.gz HMRLJHZLYGPBIR-RPWUZVMVSA-N 0 0 456.587 2.846 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)CC2CC2)CCO1 ZINC001287276904 1062752837 /nfs/dbraw/zinc/75/28/37/1062752837.db2.gz FLBKKESTUOCCCY-QGZVFWFLSA-N 0 0 453.996 2.680 20 0 JFADRN CCCOc1ccc(Cn2c(COCC)nnc2N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 ZINC001294971655 1062753646 /nfs/dbraw/zinc/75/36/46/1062753646.db2.gz OHTXKROTPOXPMB-FQEVSTJZSA-N 0 0 477.631 2.656 20 0 JFADRN Cc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CCC1CCN(CC(F)(F)F)CC1 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CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001287306189 1062777547 /nfs/dbraw/zinc/77/75/47/1062777547.db2.gz JHTCCJPGVBIFDL-DYXWJJEUSA-N 0 0 476.647 2.509 20 0 JFADRN Cc1noc([C@H](C)N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C(C)C)N3CCOCC3)CC2)n1 ZINC001290902883 1062777630 /nfs/dbraw/zinc/77/76/30/1062777630.db2.gz QKEWIYFYQZPYGT-ICSRJNTNSA-N 0 0 474.654 2.507 20 0 JFADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001287306198 1062777716 /nfs/dbraw/zinc/77/77/16/1062777716.db2.gz JHTCCJPGVBIFDL-ZVDOUQERSA-N 0 0 476.647 2.509 20 0 JFADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC001294990144 1062777875 /nfs/dbraw/zinc/77/78/75/1062777875.db2.gz FMSSFTGYINGFJU-DOTOQJQBSA-N 0 0 451.589 2.893 20 0 JFADRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC001294990145 1062777911 /nfs/dbraw/zinc/77/79/11/1062777911.db2.gz FMSSFTGYINGFJU-NVXWUHKLSA-N 0 0 451.589 2.893 20 0 JFADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001287306775 1062778140 /nfs/dbraw/zinc/77/81/40/1062778140.db2.gz LEUFEYXPEQWNCR-CVYDXHPNSA-N 0 0 459.513 2.838 20 0 JFADRN Cc1noc([C@@H](C)N2CCN(c3nnc(C(=O)N4CCCC4)n3CCCC(C)(C)C)CC2)n1 ZINC001290903052 1062778187 /nfs/dbraw/zinc/77/81/87/1062778187.db2.gz SCJNDCIKOLSPKH-QGZVFWFLSA-N 0 0 458.611 2.915 20 0 JFADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCNS(C)(=O)=O ZINC001287307533 1062779108 /nfs/dbraw/zinc/77/91/08/1062779108.db2.gz OFCKUVUDBAOPIJ-FUHWJXTLSA-N 0 0 456.012 2.645 20 0 JFADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001287307726 1062779176 /nfs/dbraw/zinc/77/91/76/1062779176.db2.gz OMLSWEQSVVKNQU-LZKITUNOSA-N 0 0 478.615 2.993 20 0 JFADRN Cc1noc([C@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CC3([S@](C)=O)CCC3)CC2)n1 ZINC001290903487 1062779231 /nfs/dbraw/zinc/77/92/31/1062779231.db2.gz YXBWQBGPCFDHPO-KNTRGWTASA-N 0 0 463.652 2.743 20 0 JFADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001287307812 1062779544 /nfs/dbraw/zinc/77/95/44/1062779544.db2.gz NQMSWHKIWMNAMW-RFWXGWTQSA-N 0 0 493.649 2.835 20 0 JFADRN CCCO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(C)onc2CC)CC1 ZINC001294991278 1062779624 /nfs/dbraw/zinc/77/96/24/1062779624.db2.gz BBRXGXDWIDLYSH-DOTOQJQBSA-N 0 0 468.624 2.581 20 0 JFADRN CCCO[C@H]1CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)CC)CC1 ZINC001294991461 1062779646 /nfs/dbraw/zinc/77/96/46/1062779646.db2.gz JYELPBKXMWSLNQ-IBGZPJMESA-N 0 0 478.615 2.937 20 0 JFADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001287308148 1062780039 /nfs/dbraw/zinc/78/00/39/1062780039.db2.gz QGNMRVFEOVXGCD-XLIONFOSSA-N 0 0 497.065 2.915 20 0 JFADRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCNC(=O)C1 ZINC001287308401 1062780530 /nfs/dbraw/zinc/78/05/30/1062780530.db2.gz RFMFOWXKWDODAY-SCLBCKFNSA-N 0 0 466.355 2.844 20 0 JFADRN 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UACNOFYXZQOXIJ-QFIPXVFZSA-N 0 0 484.645 2.592 20 0 JFADRN CCNC(=O)CN1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(C)CCCS2)CC1 ZINC001296298749 1064577172 /nfs/dbraw/zinc/57/71/72/1064577172.db2.gz PSSCHDLICKOBSQ-VWLOTQADSA-N 0 0 486.686 2.963 20 0 JFADRN CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NC[C@H](O)CCc2ccccc2)cc1 ZINC001296299091 1064578149 /nfs/dbraw/zinc/57/81/49/1064578149.db2.gz HIWBKNPJCVEKRM-GGAORHGYSA-N 0 0 458.580 2.542 20 0 JFADRN CS[C@H](CNC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C)C(C)(C)C ZINC001296300075 1064578830 /nfs/dbraw/zinc/57/88/30/1064578830.db2.gz JHSIIWARGNLWGT-LJQANCHMSA-N 0 0 452.646 2.963 20 0 JFADRN COCCn1cc(C(=O)N2CCOC[C@@H]2c2c(C)nn(-c3cccc(OC)c3)c2C)c(C)n1 ZINC001296300372 1064578928 /nfs/dbraw/zinc/57/89/28/1064578928.db2.gz ONPUQXNCLXOIET-JOCHJYFZSA-N 0 0 453.543 2.863 20 0 JFADRN CCNC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(F)cn2)CC1 ZINC001296301113 1064579143 /nfs/dbraw/zinc/57/91/43/1064579143.db2.gz ALVQMQBXSHGEQB-MRXNPFEDSA-N 0 0 471.512 2.991 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)[C@H](C)CC)CC1 ZINC001296301203 1064579868 /nfs/dbraw/zinc/57/98/68/1064579868.db2.gz BPSNVZFFIRVSFM-VFNWGFHPSA-N 0 0 496.454 2.695 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccoc2)CC1 ZINC001296301448 1064579916 /nfs/dbraw/zinc/57/99/16/1064579916.db2.gz FYHNGYYFYDDLIQ-UHFFFAOYSA-N 0 0 451.531 2.640 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccoc2)CC1 ZINC001296301205 1064579976 /nfs/dbraw/zinc/57/99/76/1064579976.db2.gz BPYBAYYQLHSGGT-UHFFFAOYSA-N 0 0 462.352 2.539 20 0 JFADRN CCNC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001296301678 1064580528 /nfs/dbraw/zinc/58/05/28/1064580528.db2.gz HCVBKDJTNWPRFQ-IRLDBZIGSA-N 0 0 499.660 2.607 20 0 JFADRN CCNC(=O)N1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@](C)(O)C2CC2)CC1 ZINC001296301976 1064581281 /nfs/dbraw/zinc/58/12/81/1064581281.db2.gz MAWKQUVBNUQAOF-BVZFJXPGSA-N 0 0 486.617 2.829 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCOC[C@@H]2C)CC1 ZINC001296302371 1064582227 /nfs/dbraw/zinc/58/22/27/1064582227.db2.gz NNACRBJPBJJLSF-GJZGRUSLSA-N 0 0 480.411 2.560 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](F)COC)CC1 ZINC001296306423 1064585030 /nfs/dbraw/zinc/58/50/30/1064585030.db2.gz HWSUTRZAZMZAFA-MRXNPFEDSA-N 0 0 483.386 2.852 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(C)CCCO2)CC1 ZINC001296306469 1064585307 /nfs/dbraw/zinc/58/53/07/1064585307.db2.gz JLOUAMUUKCELQW-JOCHJYFZSA-N 0 0 464.517 2.967 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCC=CO2)CC1 ZINC001296306792 1064586010 /nfs/dbraw/zinc/58/60/10/1064586010.db2.gz OZFGQQBUFBXXPL-SFHVURJKSA-N 0 0 456.547 2.507 20 0 JFADRN NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC001291970288 1064586467 /nfs/dbraw/zinc/58/64/67/1064586467.db2.gz DHEZNAJVJRKVAR-LJQANCHMSA-N 0 0 459.905 2.574 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCOC)CC1 ZINC001296306979 1064586676 /nfs/dbraw/zinc/58/66/76/1064586676.db2.gz XFNYMFVCZGCGNM-UHFFFAOYSA-N 0 0 451.369 2.596 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC(=O)N[C@H](C)CC)CC1 ZINC001296307166 1064587510 /nfs/dbraw/zinc/58/75/10/1064587510.db2.gz CGHSSDZUJCTCAM-GOSISDBHSA-N 0 0 478.601 2.650 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCc2nccs2)CC1 ZINC001296307387 1064587906 /nfs/dbraw/zinc/58/79/06/1064587906.db2.gz HBCQYFHPEVFMNY-UHFFFAOYSA-N 0 0 460.995 2.934 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@](C)(O)CC)CC1 ZINC001296307936 1064588851 /nfs/dbraw/zinc/58/88/51/1064588851.db2.gz QMAHPVOXYZHWTG-OAQYLSRUSA-N 0 0 495.422 2.729 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2ccco2)CC1 ZINC001296308311 1064589608 /nfs/dbraw/zinc/58/96/08/1064589608.db2.gz WXWJIQPBYIOGOW-UHFFFAOYSA-N 0 0 454.531 2.845 20 0 JFADRN CCNC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 ZINC001296309737 1064590614 /nfs/dbraw/zinc/59/06/14/1064590614.db2.gz FIKBJMPATBCUCN-SJLPKXTDSA-N 0 0 497.497 2.702 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 ZINC001296310619 1064591208 /nfs/dbraw/zinc/59/12/08/1064591208.db2.gz ONWYORXKHCDUCE-LJQANCHMSA-N 0 0 472.544 2.706 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(-c3cccn3C)n2CCCOc2ccccc2C)CC1 ZINC001296310626 1064591374 /nfs/dbraw/zinc/59/13/74/1064591374.db2.gz PBEZIUMSCUGGKG-UHFFFAOYSA-N 0 0 451.575 2.913 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOC(C)(C)C)CC1 ZINC001296311517 1064591662 /nfs/dbraw/zinc/59/16/62/1064591662.db2.gz SRFIIROFVSMWIR-UHFFFAOYSA-N 0 0 466.590 2.797 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CC2([S@](C)=O)CCC2)CC1 ZINC001296311476 1064591674 /nfs/dbraw/zinc/59/16/74/1064591674.db2.gz UHVGRXNNLWBKSQ-HKBQPEDESA-N 0 0 465.023 2.751 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 ZINC001296312300 1064592544 /nfs/dbraw/zinc/59/25/44/1064592544.db2.gz ZRQSKOKUYFCGRO-UHFFFAOYSA-N 0 0 493.616 2.563 20 0 JFADRN CCC(CC)c1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@H](C(=O)OC)C2)on1 ZINC001291976951 1064592945 /nfs/dbraw/zinc/59/29/45/1064592945.db2.gz IIPBCZJLZBLSCJ-INIZCTEOSA-N 0 0 467.530 2.865 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(C)n(C)c2=O)CC1 ZINC001296312800 1064593411 /nfs/dbraw/zinc/59/34/11/1064593411.db2.gz ZZIZVDSORPIPQX-UHFFFAOYSA-N 0 0 469.977 2.505 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CC(=O)Nc2c(C)cccc2C)CC1 ZINC001296314284 1064593635 /nfs/dbraw/zinc/59/36/35/1064593635.db2.gz CMMUUPNHUFETBM-UHFFFAOYSA-N 0 0 455.607 2.974 20 0 JFADRN CCNC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCSCc2ccc(C)cc2)CC1 ZINC001296315307 1064594078 /nfs/dbraw/zinc/59/40/78/1064594078.db2.gz OCUVHVMBVSFIRG-FQEVSTJZSA-N 0 0 458.632 2.875 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(SC)CC2)CC1 ZINC001296315591 1064594895 /nfs/dbraw/zinc/59/48/95/1064594895.db2.gz DGWOPXMBWGHXEG-UHFFFAOYSA-N 0 0 450.559 2.894 20 0 JFADRN COCCN(Cc1ccccn1)C(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC001291982182 1064595967 /nfs/dbraw/zinc/59/59/67/1064595967.db2.gz YRIVGDDHGFCSAI-UHFFFAOYSA-N 0 0 451.595 2.972 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCc2nnc(C)s2)CC1 ZINC001296316085 1064596206 /nfs/dbraw/zinc/59/62/06/1064596206.db2.gz NZAINTNLGLFEOU-UHFFFAOYSA-N 0 0 490.584 2.791 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1Cc1ccncc1Cl ZINC001291983488 1064596379 /nfs/dbraw/zinc/59/63/79/1064596379.db2.gz DTTKUORPCIELSS-KGLIPLIRSA-N 0 0 471.027 2.551 20 0 JFADRN CCC(CC)c1cc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)on1 ZINC001291984876 1064597087 /nfs/dbraw/zinc/59/70/87/1064597087.db2.gz XFYZQPQUHWQQQF-QKLQHJQFSA-N 0 0 481.619 2.565 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N(C)c2cc(OC)cc(OC)c2)n1CC1(O)CCOCC1 ZINC001291985686 1064597995 /nfs/dbraw/zinc/59/79/95/1064597995.db2.gz AUPTWCFPIWCWCB-UHFFFAOYSA-N 0 0 461.563 2.523 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2nc(C(C)C)cs2)CC1 ZINC001296317128 1064598607 /nfs/dbraw/zinc/59/86/07/1064598607.db2.gz KZZJSRVCXDNSHE-UHFFFAOYSA-N 0 0 454.604 2.744 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1Cc1ccnc(C(F)(F)F)c1 ZINC001291986909 1064599067 /nfs/dbraw/zinc/59/90/67/1064599067.db2.gz MLQZGSJLQPDDSO-ZDUSSCGKSA-N 0 0 490.552 2.528 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1CCCN1CCCCC1=O ZINC001291986989 1064599139 /nfs/dbraw/zinc/59/91/39/1064599139.db2.gz WXIJQUKLSPESFH-HXUWFJFHSA-N 0 0 484.649 2.846 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1C[C@H]1CCOC[C@@H]1C ZINC001291987073 1064599504 /nfs/dbraw/zinc/59/95/04/1064599504.db2.gz YSDOBVGGXARGOJ-ZWKOTPCHSA-N 0 0 463.623 2.991 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cccnc2OCC)CC1 ZINC001296317396 1064600084 /nfs/dbraw/zinc/60/00/84/1064600084.db2.gz DCBGQQVZLLURPH-UHFFFAOYSA-N 0 0 479.585 2.859 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2cccs2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001291987434 1064600528 /nfs/dbraw/zinc/60/05/28/1064600528.db2.gz UXZNIURFYGYYOZ-NVXWUHKLSA-N 0 0 482.676 2.879 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1Cc1ccc(Cl)cc1F ZINC001291987371 1064600544 /nfs/dbraw/zinc/60/05/44/1064600544.db2.gz STDNJEZWOWNLJT-ZDUSSCGKSA-N 0 0 474.002 2.907 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(Cl)cc2OC)CC1 ZINC001296317791 1064600649 /nfs/dbraw/zinc/60/06/49/1064600649.db2.gz SFIGYGDKQQWGHD-UHFFFAOYSA-N 0 0 469.977 2.826 20 0 JFADRN CCNC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CCOCc2ccccc2)CC1 ZINC001296317859 1064601133 /nfs/dbraw/zinc/60/11/33/1064601133.db2.gz TVZQXRYMIWWFMN-UHFFFAOYSA-N 0 0 469.615 2.702 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC(N)=O)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 ZINC001291987783 1064601955 /nfs/dbraw/zinc/60/19/55/1064601955.db2.gz WBDZCWNBYUAKAQ-PMPSAXMXSA-N 0 0 456.591 2.829 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCc1cc2ccccc2o1 ZINC001291988067 1064601986 /nfs/dbraw/zinc/60/19/86/1064601986.db2.gz 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/nfs/dbraw/zinc/12/75/04/1065127504.db2.gz BGEUFJOFGQHSHI-HXUWFJFHSA-N 0 0 461.632 2.984 20 0 JFADRN CCC1(CC)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(COC)CCOCC2)C1 ZINC001292385468 1065128210 /nfs/dbraw/zinc/12/82/10/1065128210.db2.gz NLTQXPVYOPIMKA-GOSISDBHSA-N 0 0 454.637 2.640 20 0 JFADRN CCC1(CC)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccsc2)CCS1 ZINC001292393302 1065132249 /nfs/dbraw/zinc/13/22/49/1065132249.db2.gz GCRCLPCZGIDQSI-BEFAXECRSA-N 0 0 487.717 2.970 20 0 JFADRN CCC1(CC)CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCNS(C)(=O)=O)CCS1 ZINC001292394043 1065133335 /nfs/dbraw/zinc/13/33/35/1065133335.db2.gz ODUZWXRVZHJQJH-UHFFFAOYSA-N 0 0 495.671 2.768 20 0 JFADRN CCC1(CC)CN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)N2CCOCC2)CCS1 ZINC001292394125 1065133988 /nfs/dbraw/zinc/13/39/88/1065133988.db2.gz QHEVGHLQEGEPCT-HXUWFJFHSA-N 0 0 478.707 2.983 20 0 JFADRN CCC1(CC)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)nc2)CCS1 ZINC001292394146 1065134029 /nfs/dbraw/zinc/13/40/29/1065134029.db2.gz QNCYXVIICBLYRJ-MRXNPFEDSA-N 0 0 481.692 2.510 20 0 JFADRN CCC1(CC)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)nc2)CCS1 ZINC001292394140 1065134058 /nfs/dbraw/zinc/13/40/58/1065134058.db2.gz QNCYXVIICBLYRJ-INIZCTEOSA-N 0 0 481.692 2.510 20 0 JFADRN CCC1(CC)CN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCS(=O)(=O)C2)CCS1 ZINC001292394801 1065134646 /nfs/dbraw/zinc/13/46/46/1065134646.db2.gz WNERYNXGHNLYGW-ZWKOTPCHSA-N 0 0 474.693 2.939 20 0 JFADRN CCC1(Cn2c(C(=O)N3CCCC3)nnc2N(CCNC(C)=O)Cc2ccsc2)CCOCC1 ZINC001292402847 1065138470 /nfs/dbraw/zinc/13/84/70/1065138470.db2.gz LANASJWUMZDVJX-UHFFFAOYSA-N 0 0 488.658 2.925 20 0 JFADRN CCC1(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CCOCC1 ZINC001292403318 1065139097 /nfs/dbraw/zinc/13/90/97/1065139097.db2.gz OVQKJEJJTNSZLP-JKSUJKDBSA-N 0 0 459.513 2.877 20 0 JFADRN CCC1(CC)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)NC)CCS1 ZINC001292403311 1065139129 /nfs/dbraw/zinc/13/91/29/1065139129.db2.gz OVLQJUUDQSXUAI-IAGOWNOFSA-N 0 0 473.709 2.858 20 0 JFADRN CCC1(CC)CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2COCCO2)CCS1 ZINC001292403713 1065139718 /nfs/dbraw/zinc/13/97/18/1065139718.db2.gz RBRGHNJDPKNKKZ-INIZCTEOSA-N 0 0 465.645 2.797 20 0 JFADRN CCC1(Cn2c(C(=O)N3CCCC3)nnc2N(CCO)Cc2ccccc2OC)CCOCC1 ZINC001292404112 1065139737 /nfs/dbraw/zinc/13/97/37/1065139737.db2.gz WGJMOJQPDNTXRE-UHFFFAOYSA-N 0 0 471.602 2.728 20 0 JFADRN CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@]3(CCOC3)OC(C)(C)C2)CCCC1 ZINC001292411174 1065143802 /nfs/dbraw/zinc/14/38/02/1065143802.db2.gz AUXVWFDTYUDXCU-JTSKRJEESA-N 0 0 469.652 2.633 20 0 JFADRN CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](c3nc(C)no3)C2)CCC1 ZINC001292411226 1065144469 /nfs/dbraw/zinc/14/44/69/1065144469.db2.gz AZZIUKPFKDJJET-GDBMZVCRSA-N 0 0 451.597 2.544 20 0 JFADRN CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cccs3)CC2)CCC1 ZINC001292411910 1065145695 /nfs/dbraw/zinc/14/56/95/1065145695.db2.gz FMYSWUNUVRLQDJ-MRXNPFEDSA-N 0 0 452.650 2.857 20 0 JFADRN CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](c3ccnn3C)C2)CCCC1 ZINC001292412399 1065146716 /nfs/dbraw/zinc/14/67/16/1065146716.db2.gz KMCCXAJHMMPMCX-QZTJIDSGSA-N 0 0 463.652 2.976 20 0 JFADRN CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CCOCC1 ZINC001292412644 1065146733 /nfs/dbraw/zinc/14/67/33/1065146733.db2.gz KYOLXECIINJIFA-OWCLPIDISA-N 0 0 463.595 2.823 20 0 JFADRN CCC1(Cn2c([C@H](C)OCCOC)nnc2N2C[C@@H](C)O[C@@]3(CCOC3)C2)CCOCC1 ZINC001292413834 1065147409 /nfs/dbraw/zinc/14/74/09/1065147409.db2.gz OFAXMSYLHZOCND-MSYCTHLASA-N 0 0 452.596 2.593 20 0 JFADRN CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ncccc3F)CC2)CCCC1 ZINC001292413933 1065147848 /nfs/dbraw/zinc/14/78/48/1065147848.db2.gz OUTOMKGGTZIAJV-KRWDZBQOSA-N 0 0 479.626 2.719 20 0 JFADRN CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](c3nccs3)C2)CCCC1 ZINC001292415557 1065149765 /nfs/dbraw/zinc/14/97/65/1065149765.db2.gz YXLHUKVEBNKGCG-JKSUJKDBSA-N 0 0 468.649 2.893 20 0 JFADRN CCC1(Cn2c(-c3cccc(OC)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CCOCC1 ZINC001292416344 1065149783 /nfs/dbraw/zinc/14/97/83/1065149783.db2.gz JFRATIFRQGQBHZ-SFHVURJKSA-N 0 0 477.631 2.631 20 0 JFADRN CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3c(F)cccc3OC)CC2)CCC1 ZINC001292415581 1065149788 /nfs/dbraw/zinc/14/97/88/1065149788.db2.gz ZJDOXXUHSKJWTP-QGZVFWFLSA-N 0 0 494.637 2.943 20 0 JFADRN CCC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@H](COC)C2)CCC1 ZINC001292417596 1065150853 /nfs/dbraw/zinc/15/08/53/1065150853.db2.gz CFRKCYMACSHWET-IBGZPJMESA-N 0 0 477.631 2.627 20 0 JFADRN CCC1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCOCC1 ZINC001292420044 1065152312 /nfs/dbraw/zinc/15/23/12/1065152312.db2.gz KMNCBWSQCGZQPM-MRXNPFEDSA-N 0 0 453.996 2.824 20 0 JFADRN CCC1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCOCC1 ZINC001292419817 1065152332 /nfs/dbraw/zinc/15/23/32/1065152332.db2.gz GZUCBMFPDUAAPK-UHFFFAOYSA-N 0 0 483.038 2.718 20 0 JFADRN CCC1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CCC1 ZINC001292420139 1065152948 /nfs/dbraw/zinc/15/29/48/1065152948.db2.gz MPCUHZMDYYMNNJ-UHFFFAOYSA-N 0 0 474.009 2.747 20 0 JFADRN CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC001292426628 1065154914 /nfs/dbraw/zinc/15/49/14/1065154914.db2.gz CYPZDPXVXRMERW-NRSPTQNISA-N 0 0 452.555 2.733 20 0 JFADRN CCC1(Cn2c(-c3cccnc3)nnc2N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)CCOCC1 ZINC001292428045 1065155521 /nfs/dbraw/zinc/15/55/21/1065155521.db2.gz SKYZOJDOFDRNLJ-FPOVZHCZSA-N 0 0 470.618 2.914 20 0 JFADRN CCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)C1 ZINC001292430485 1065156140 /nfs/dbraw/zinc/15/61/40/1065156140.db2.gz XMLFQFFDIYATOS-LJQANCHMSA-N 0 0 451.011 2.853 20 0 JFADRN CCC1(Cn2c(-c3cccc(C)n3)nnc2N(CCCOC)[C@@H]2CCS(=O)(=O)C2)CCOCC1 ZINC001292429565 1065156152 /nfs/dbraw/zinc/15/61/52/1065156152.db2.gz IZCMJRYWBCKYGE-HXUWFJFHSA-N 0 0 491.658 2.885 20 0 JFADRN CCC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)CCOCC1 ZINC001292432442 1065158579 /nfs/dbraw/zinc/15/85/79/1065158579.db2.gz RWRLVVGPKGINHM-AZUAARDMSA-N 0 0 474.650 2.813 20 0 JFADRN Cn1cnc(C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1=O ZINC001292434231 1065159826 /nfs/dbraw/zinc/15/98/26/1065159826.db2.gz DSDMNMKMTSGRPV-HNNXBMFYSA-N 0 0 456.499 2.589 20 0 JFADRN CCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(C)(C)OC(C)(C)C2)CCOCC1 ZINC001292434392 1065160355 /nfs/dbraw/zinc/16/03/55/1065160355.db2.gz KKYPMDARMYCCFL-KRWDZBQOSA-N 0 0 454.637 2.781 20 0 JFADRN CCC1(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001292435023 1065162311 /nfs/dbraw/zinc/16/23/11/1065162311.db2.gz CTVTXQFHABQUPZ-RTBURBONSA-N 0 0 476.622 2.882 20 0 JFADRN CCC1(Cn2c([C@@H]3COc4ccccc4O3)nnc2N(C)CCNS(C)(=O)=O)CCCC1 ZINC001292435069 1065162313 /nfs/dbraw/zinc/16/23/13/1065162313.db2.gz FHBCQXFZSMVCNR-IBGZPJMESA-N 0 0 463.604 2.746 20 0 JFADRN Cn1cc([C@H](O)C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC001292435739 1065164632 /nfs/dbraw/zinc/16/46/32/1065164632.db2.gz VPQYQKASJZLAGH-LPHOPBHVSA-N 0 0 458.515 2.649 20 0 JFADRN CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(Cl)=C(Cl)C2)CC1 ZINC001292436423 1065165224 /nfs/dbraw/zinc/16/52/24/1065165224.db2.gz RVSDUCPXMLZNAP-HNNXBMFYSA-N 0 0 464.419 2.701 20 0 JFADRN CCC1(Cn2c([C@H]3COc4ccccc4O3)nnc2N(C)CC(=O)NC(C)C)CCOCC1 ZINC001292436390 1065165240 /nfs/dbraw/zinc/16/52/40/1065165240.db2.gz RIRVTSXRTGKPLS-HXUWFJFHSA-N 0 0 457.575 2.958 20 0 JFADRN CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC001292437376 1065166298 /nfs/dbraw/zinc/16/62/98/1065166298.db2.gz KQWJQERIVWSDEH-SJORKVTESA-N 0 0 455.349 2.985 20 0 JFADRN C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC001292440113 1065167424 /nfs/dbraw/zinc/16/74/24/1065167424.db2.gz OMRASJVPZKVJAN-UHFFFAOYSA-N 0 0 456.465 2.942 20 0 JFADRN CCC1(Cn2c(Cc3ccsc3)nnc2N2CCC(NC(=O)COC)CC2)CCOCC1 ZINC001292442800 1065167932 /nfs/dbraw/zinc/16/79/32/1065167932.db2.gz DYGNDVFTXCZYNS-UHFFFAOYSA-N 0 0 461.632 2.869 20 0 JFADRN CCC1(Cn2c(CCCc3ccccc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCOCC1 ZINC001292444292 1065169070 /nfs/dbraw/zinc/16/90/70/1065169070.db2.gz XUWLHKVDPRSDFG-UHFFFAOYSA-N 0 0 475.659 2.742 20 0 JFADRN CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc(-n3ccnc3)ccc2O)c(=O)[nH]c1=O ZINC001292446749 1065170604 /nfs/dbraw/zinc/17/06/04/1065170604.db2.gz KHAWBLRLSDTUGW-UHFFFAOYSA-N 0 0 454.531 2.915 20 0 JFADRN CCc1ccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@H]2CSCCS2)cc1 ZINC001292458218 1065180929 /nfs/dbraw/zinc/18/09/29/1065180929.db2.gz NBIKPCIXZBKMTB-ROUUACIJSA-N 0 0 452.671 2.979 20 0 JFADRN CCc1ccc(-c2nnc(N(C)[C@@H](C)CS(=O)(=O)CC)n2C[C@]2(O)CCSC2)cc1 ZINC001292459267 1065184337 /nfs/dbraw/zinc/18/43/37/1065184337.db2.gz BBCFAOYGGGSUHR-HRAATJIYSA-N 0 0 452.646 2.635 20 0 JFADRN CCc1ccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N(C)CCS(C)(=O)=O)N(C)C)cc1 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464.570 2.838 20 0 JFADRN CCc1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CCc1cnc2c(Cl)cnn2c1 ZINC001292833502 1065570383 /nfs/dbraw/zinc/57/03/83/1065570383.db2.gz IQLAHKOUZPRGQG-UHFFFAOYSA-N 0 0 473.990 2.819 20 0 JFADRN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1 ZINC001292838046 1065572476 /nfs/dbraw/zinc/57/24/76/1065572476.db2.gz NPAJYCAKTAKZAD-NSHDSACASA-N 0 0 456.446 2.785 20 0 JFADRN CSCC[C@H](NC(=O)[C@H](C)NC(=O)c1ccccc1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC001292845603 1065574206 /nfs/dbraw/zinc/57/42/06/1065574206.db2.gz CPNPWARMJXPHTH-BBRMVZONSA-N 0 0 456.524 2.528 20 0 JFADRN CCc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001292844955 1065574282 /nfs/dbraw/zinc/57/42/82/1065574282.db2.gz YNIPHYXIYLKADL-UHFFFAOYSA-N 0 0 474.534 2.842 20 0 JFADRN C[C@@H](C(=O)N1CCN(c2ccc(Br)cn2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001292854992 1065576076 /nfs/dbraw/zinc/57/60/76/1065576076.db2.gz FSOVGBKTSZYMEV-CQSZACIVSA-N 0 0 453.381 2.996 20 0 JFADRN 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ZINC001292899258 1065597322 /nfs/dbraw/zinc/59/73/22/1065597322.db2.gz MFINECQTBRLJMO-HKUYNNGSSA-N 0 0 458.573 2.662 20 0 JFADRN CCc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001292899402 1065597776 /nfs/dbraw/zinc/59/77/76/1065597776.db2.gz NQWALDQSYUYBIZ-LPHOPBHVSA-N 0 0 477.631 2.783 20 0 JFADRN CCc1nnc(N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001292900023 1065598077 /nfs/dbraw/zinc/59/80/77/1065598077.db2.gz RJVOQFNCGKKVGI-SJLPKXTDSA-N 0 0 468.524 2.576 20 0 JFADRN Cn1c(C(=O)NCCS(=O)(=O)NCC2CCC2)ccc1-c1ccc(Br)cc1 ZINC001292900408 1065598525 /nfs/dbraw/zinc/59/85/25/1065598525.db2.gz YLGBMNSXTBOCCT-UHFFFAOYSA-N 0 0 454.390 2.904 20 0 JFADRN O=C(NCC1(Sc2ccccc2)CC1)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001292910762 1065600908 /nfs/dbraw/zinc/60/09/08/1065600908.db2.gz NGIYCIDXSVSZJY-UHOSZYNNSA-N 0 0 450.626 2.537 20 0 JFADRN CCc1nnc(N2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@@H]3C2)n1C[C@@H]1CCCC1(C)C ZINC001292911859 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COc1ccc([C@H](NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)c2ccccc2Cl)c(C)c1 ZINC001293951392 1066449839 /nfs/dbraw/zinc/44/98/39/1066449839.db2.gz YQYHPYULONAKPO-YWZLYKJASA-N 0 0 451.976 2.778 20 0 JFADRN CCC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1)OC ZINC001293952730 1066450926 /nfs/dbraw/zinc/45/09/26/1066450926.db2.gz ORCMTLCIKMIWMU-SFHVURJKSA-N 0 0 461.998 2.704 20 0 JFADRN CCC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1)OC ZINC001293952729 1066450953 /nfs/dbraw/zinc/45/09/53/1066450953.db2.gz ORCMTLCIKMIWMU-GOSISDBHSA-N 0 0 461.998 2.704 20 0 JFADRN CCC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1)OC ZINC001293953803 1066452268 /nfs/dbraw/zinc/45/22/68/1066452268.db2.gz VFAPEZMOMKXARI-FQEVSTJZSA-N 0 0 484.649 2.878 20 0 JFADRN CCC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)c(C)c2)CC1)OC ZINC001293953225 1066452288 /nfs/dbraw/zinc/45/22/88/1066452288.db2.gz RUMNIXZMCOEFHT-CTNGQTDRSA-N 0 0 478.663 2.647 20 0 JFADRN COc1ccc(NC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)cc1N1CCOC1=O ZINC001293954882 1066452789 /nfs/dbraw/zinc/45/27/89/1066452789.db2.gz ZOJBAFJUKANRJJ-APWZRJJASA-N 0 0 459.499 2.572 20 0 JFADRN CCC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1)OC ZINC001293954293 1066452796 /nfs/dbraw/zinc/45/27/96/1066452796.db2.gz YGBPRSPYILDGAW-ROUUACIJSA-N 0 0 468.562 2.891 20 0 JFADRN CCC[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)OC ZINC001293955218 1066454082 /nfs/dbraw/zinc/45/40/82/1066454082.db2.gz CUJPBYXCEANWBU-ROUUACIJSA-N 0 0 492.527 2.834 20 0 JFADRN CCC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C(N)=O)C1)OC ZINC001293956822 1066454460 /nfs/dbraw/zinc/45/44/60/1066454460.db2.gz NLNHAPGCUDGTST-UKRRQHHQSA-N 0 0 453.385 2.563 20 0 JFADRN CCC[C@@H](Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@H]2C1)OC ZINC001293957756 1066456273 /nfs/dbraw/zinc/45/62/73/1066456273.db2.gz VKWOLMPBFRUWKV-ROUUACIJSA-N 0 0 473.574 2.597 20 0 JFADRN CCC[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(=O)NCC)CC1)OC ZINC001293959539 1066457925 /nfs/dbraw/zinc/45/79/25/1066457925.db2.gz QIUYFIBVKSQSTL-IBGZPJMESA-N 0 0 454.575 2.765 20 0 JFADRN CCC[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(S(C)(=O)=O)CC1)OC ZINC001293961303 1066460554 /nfs/dbraw/zinc/46/05/54/1066460554.db2.gz KKLMZJUBGZWLPA-KRWDZBQOSA-N 0 0 464.588 2.545 20 0 JFADRN CCC[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](N2CCCC2=O)C1)OC ZINC001293961308 1066461123 /nfs/dbraw/zinc/46/11/23/1066461123.db2.gz KOELBQPFDYVKPN-OALUTQOASA-N 0 0 457.575 2.979 20 0 JFADRN CCC[C@H](Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1)OC ZINC001293962632 1066462839 /nfs/dbraw/zinc/46/28/39/1066462839.db2.gz GWYROFJJUVGEQW-ZWKOTPCHSA-N 0 0 452.563 2.601 20 0 JFADRN CCC[C@H](Cn1c(-c2ccccc2Br)nnc1N(C)CC(=O)N1CCOCC1)OC ZINC001293963402 1066463149 /nfs/dbraw/zinc/46/31/49/1066463149.db2.gz KJKWTOOJFCJZDL-MRXNPFEDSA-N 0 0 480.407 2.818 20 0 JFADRN Cc1ccc(CC[C@@H](C)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)o1 ZINC001293964122 1066464285 /nfs/dbraw/zinc/46/42/85/1066464285.db2.gz DXKHMBIODBMXNR-AUUYWEPGSA-N 0 0 454.976 2.912 20 0 JFADRN CCC[C@@H](Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C(=O)NC)CC1)OC ZINC001293965238 1066465468 /nfs/dbraw/zinc/46/54/68/1066465468.db2.gz YVJLUAMABNWADN-INIZCTEOSA-N 0 0 495.422 2.993 20 0 JFADRN O=C(NC[C@H]1CCC[C@]12NC(=O)NC2=O)c1cccnc1Oc1ccc(Br)cc1 ZINC001293965990 1066466698 /nfs/dbraw/zinc/46/66/98/1066466698.db2.gz OSFQLRNKFMZEBS-ODXCJYRJSA-N 0 0 459.300 2.745 20 0 JFADRN Cc1noc(C)c1N(C)C(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC001293966914 1066467361 /nfs/dbraw/zinc/46/73/61/1066467361.db2.gz MGNAKGZXGBJXBY-MRXNPFEDSA-N 0 0 457.556 2.812 20 0 JFADRN Cc1noc(C)c1N(C)C(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC001293966913 1066467397 /nfs/dbraw/zinc/46/73/97/1066467397.db2.gz MGNAKGZXGBJXBY-INIZCTEOSA-N 0 0 457.556 2.812 20 0 JFADRN CCC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1)OC ZINC001293968316 1066468438 /nfs/dbraw/zinc/46/84/38/1066468438.db2.gz CLNPEEFSNROFPI-HXUWFJFHSA-N 0 0 470.549 2.955 20 0 JFADRN CCC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1)OC ZINC001293968363 1066468983 /nfs/dbraw/zinc/46/89/83/1066468983.db2.gz DKMPAYOQHVCZLY-NRFANRHFSA-N 0 0 484.626 2.975 20 0 JFADRN CCC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1)OC ZINC001293969028 1066470089 /nfs/dbraw/zinc/47/00/89/1066470089.db2.gz PJCLVGQHHDGUJF-FPOVZHCZSA-N 0 0 471.650 2.668 20 0 JFADRN CCC[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1)OC ZINC001293969342 1066470746 /nfs/dbraw/zinc/47/07/46/1066470746.db2.gz UCWXYHAZCHCZPJ-LJQANCHMSA-N 0 0 468.602 2.983 20 0 JFADRN CO[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)c1cccc(Cl)c1 ZINC001293969174 1066470758 /nfs/dbraw/zinc/47/07/58/1066470758.db2.gz AKIZUPLUKZQYMP-SFHVURJKSA-N 0 0 454.980 2.585 20 0 JFADRN CCC[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@H](COC)C1)OC ZINC001293970887 1066472501 /nfs/dbraw/zinc/47/25/01/1066472501.db2.gz GODWNUMHTNJKBQ-ZWKOTPCHSA-N 0 0 454.575 2.870 20 0 JFADRN CCC[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(CC(=O)NC)CC1)OC ZINC001293971624 1066473631 /nfs/dbraw/zinc/47/36/31/1066473631.db2.gz LUIYACRHIMXUBD-QGZVFWFLSA-N 0 0 467.574 2.762 20 0 JFADRN CCC[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(CC(=O)NC)CC1)OC ZINC001293971621 1066473641 /nfs/dbraw/zinc/47/36/41/1066473641.db2.gz LUIYACRHIMXUBD-KRWDZBQOSA-N 0 0 467.574 2.762 20 0 JFADRN CCC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1)OC ZINC001293971894 1066474112 /nfs/dbraw/zinc/47/41/12/1066474112.db2.gz NEASRWKQEYYJPW-MISYRCLQSA-N 0 0 454.575 2.534 20 0 JFADRN CCC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1)OC ZINC001293972249 1066474675 /nfs/dbraw/zinc/47/46/75/1066474675.db2.gz PQHLQICUOXIPND-RBUKOAKNSA-N 0 0 470.622 2.593 20 0 JFADRN CCC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1)OC ZINC001293972597 1066474829 /nfs/dbraw/zinc/47/48/29/1066474829.db2.gz RJEBLCSZVKIOGP-RTBURBONSA-N 0 0 466.590 2.861 20 0 JFADRN CCC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1)OC ZINC001293973066 1066475570 /nfs/dbraw/zinc/47/55/70/1066475570.db2.gz AOXCBELYBGWFHY-TZIWHRDSSA-N 0 0 489.642 2.850 20 0 JFADRN CCC[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)[C@H](C)C1)OC ZINC001293973087 1066476127 /nfs/dbraw/zinc/47/61/27/1066476127.db2.gz AZZIQWCPBMCSFN-CEXWTWQISA-N 0 0 478.638 2.875 20 0 JFADRN CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC001293973837 1066476274 /nfs/dbraw/zinc/47/62/74/1066476274.db2.gz FVAQLDQAQQFXCY-INIZCTEOSA-N 0 0 459.634 2.885 20 0 JFADRN CCC[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCn1cccn1)OC ZINC001293978687 1066480496 /nfs/dbraw/zinc/48/04/96/1066480496.db2.gz FAUUPYOKJQSBNK-RBUKOAKNSA-N 0 0 477.610 2.735 20 0 JFADRN CCC[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCn1cccn1)OC ZINC001293978686 1066480555 /nfs/dbraw/zinc/48/05/55/1066480555.db2.gz FAUUPYOKJQSBNK-OALUTQOASA-N 0 0 477.610 2.735 20 0 JFADRN CCC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(S(C)(=O)=O)CC1)OC ZINC001293978718 1066480712 /nfs/dbraw/zinc/48/07/12/1066480712.db2.gz FIEADCJEZANUML-OAHLLOKOSA-N 0 0 456.559 2.976 20 0 JFADRN CCC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1)OC ZINC001293978995 1066481395 /nfs/dbraw/zinc/48/13/95/1066481395.db2.gz GPGHHYXMWVKBQX-MSOLQXFVSA-N 0 0 497.612 2.967 20 0 JFADRN CCC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1cccs1)OC ZINC001293980384 1066482791 /nfs/dbraw/zinc/48/27/91/1066482791.db2.gz RBDSXBYYWMWKFK-HBFSDRIKSA-N 0 0 497.687 2.699 20 0 JFADRN CCC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(C)o1)OC ZINC001293980444 1066482836 /nfs/dbraw/zinc/48/28/36/1066482836.db2.gz RWBCATSJGLFXSV-WSTZPKSXSA-N 0 0 481.619 2.669 20 0 JFADRN COCC[C@@](C)(O)CNC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001293982295 1066486512 /nfs/dbraw/zinc/48/65/12/1066486512.db2.gz PYFDMKWFROTCGA-OAHLLOKOSA-N 0 0 451.243 2.566 20 0 JFADRN CCC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1)OC ZINC001293982443 1066487187 /nfs/dbraw/zinc/48/71/87/1066487187.db2.gz MNVXEMUZOHGATL-RTWAWAEBSA-N 0 0 455.607 2.661 20 0 JFADRN CCC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1)OC ZINC001293982439 1066487196 /nfs/dbraw/zinc/48/71/96/1066487196.db2.gz MNVXEMUZOHGATL-LEWJYISDSA-N 0 0 455.607 2.661 20 0 JFADRN CCC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(O)c2)CC1)OC ZINC001293982428 1066487240 /nfs/dbraw/zinc/48/72/40/1066487240.db2.gz DGDYXENEMXRFOG-QFIPXVFZSA-N 0 0 453.591 2.987 20 0 JFADRN CCC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)OC ZINC001293982806 1066487819 /nfs/dbraw/zinc/48/78/19/1066487819.db2.gz PIOPTOFEDPYUKC-LJQANCHMSA-N 0 0 454.575 2.513 20 0 JFADRN 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CC(=O)Nc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](NC(C)=O)C2)cc1 ZINC001286895893 1061377512 /nfs/dbraw/zinc/37/75/12/1061377512.db2.gz CTRIHGXJZNXPHH-FQEVSTJZSA-N 0 0 467.599 2.745 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)cc1 ZINC001286896210 1061378438 /nfs/dbraw/zinc/37/84/38/1061378438.db2.gz SJGWRQULFJLOMD-FPOVZHCZSA-N 0 0 475.615 2.582 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(COc3cc(C)ccc3C)nnc2N2CCC[C@H](C(N)=O)C2)cn1 ZINC001286896253 1061378912 /nfs/dbraw/zinc/37/89/12/1061378912.db2.gz JNALTTASARUNMQ-FQEVSTJZSA-N 0 0 477.569 2.577 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(Cc3csc(C)n3)nnc2N2CCN(C(C)=O)C[C@H]2C)c1 ZINC001286896348 1061379123 /nfs/dbraw/zinc/37/91/23/1061379123.db2.gz BHRQZJHGNLXSKS-OAHLLOKOSA-N 0 0 467.599 2.698 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@@H]2C(C)C)cc1 ZINC001289756611 1061379201 /nfs/dbraw/zinc/37/92/01/1061379201.db2.gz MBGAMERPGHNNLS-NNMXDRDESA-N 0 0 489.642 2.625 20 0 JFADRN COC(=O)Nc1cccc(C(=O)N=c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2C)c1 ZINC001289758310 1061380323 /nfs/dbraw/zinc/38/03/23/1061380323.db2.gz WUQUDGKTSCVOIB-UHFFFAOYSA-N 0 0 458.519 2.782 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC001289758672 1061380433 /nfs/dbraw/zinc/38/04/33/1061380433.db2.gz DVFZZFOGZNVLOI-AZUAARDMSA-N 0 0 470.599 2.915 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(N3C[C@H](N4CCN(C(C)=O)CC4)[C@@H](C)C3)nnc2C(C)(C)C)c1 ZINC001286896997 1061380893 /nfs/dbraw/zinc/38/08/93/1061380893.db2.gz KPUCPHMWMUSJHU-MBSDFSHPSA-N 0 0 481.645 2.571 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(N3C[C@@H](C)[C@@H](N4CCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)c1 ZINC001286896996 1061381088 /nfs/dbraw/zinc/38/10/88/1061381088.db2.gz KPUCPHMWMUSJHU-JPYJTQIMSA-N 0 0 481.645 2.571 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(=O)NC3CC3)C2)cc1 ZINC001289759286 1061381134 /nfs/dbraw/zinc/38/11/34/1061381134.db2.gz LCBGFJDOXTVWAH-OALUTQOASA-N 0 0 468.602 2.687 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(CC3CCCC3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cn1 ZINC001286897282 1061382149 /nfs/dbraw/zinc/38/21/49/1061382149.db2.gz RMSRELXKCKBNHN-CVEARBPZSA-N 0 0 462.620 2.670 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)cc1 ZINC001289760146 1061382337 /nfs/dbraw/zinc/38/23/37/1061382337.db2.gz RWCFYXLCPWMNME-WOJBJXKFSA-N 0 0 470.618 2.885 20 0 JFADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nnc([C@@H]4CCOC4)n3CC(=O)NC(C)C)C2)cc1 ZINC001289761248 1061383449 /nfs/dbraw/zinc/38/34/49/1061383449.db2.gz YINPMZJUUHVRMZ-WOJBJXKFSA-N 0 0 483.617 2.653 20 0 JFADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nnc([C@H]4CCOC4)n3CC(=O)NC(C)C)C2)cc1 ZINC001289761246 1061383467 /nfs/dbraw/zinc/38/34/67/1061383467.db2.gz YINPMZJUUHVRMZ-UXHICEINSA-N 0 0 483.617 2.653 20 0 JFADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc([C@H]4CCC(=O)N4)n3CCC(C)(C)O)C2)cc1 ZINC001289761473 1061384035 /nfs/dbraw/zinc/38/40/35/1061384035.db2.gz ZWHCDKBOQAXQJX-AZUAARDMSA-N 0 0 483.617 2.737 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001286897987 1061384390 /nfs/dbraw/zinc/38/43/90/1061384390.db2.gz CVRLWRRBQQVQCD-PWIZWCRZSA-N 0 0 474.631 2.912 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC001286897989 1061384416 /nfs/dbraw/zinc/38/44/16/1061384416.db2.gz CVRLWRRBQQVQCD-VDGAXYAQSA-N 0 0 474.631 2.912 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC(OCC(N)=O)CC2)cc1 ZINC001289761909 1061384570 /nfs/dbraw/zinc/38/45/70/1061384570.db2.gz CEFNRZOYTYKEDW-LJQANCHMSA-N 0 0 464.570 2.511 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC(CNS(C)(=O)=O)CC2)c1 ZINC001286898153 1061385488 /nfs/dbraw/zinc/38/54/88/1061385488.db2.gz DOIGXGLDFQYMBP-UHFFFAOYSA-N 0 0 486.598 2.619 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)CC(N)=O)c1 ZINC001289764507 1061385795 /nfs/dbraw/zinc/38/57/95/1061385795.db2.gz VTDCFQHQQHNMNH-CQSZACIVSA-N 0 0 473.484 2.584 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(-c3cccn3C)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001286898737 1061387324 /nfs/dbraw/zinc/38/73/24/1061387324.db2.gz VXZDLLXIHFQKPT-KDURUIRLSA-N 0 0 465.602 2.836 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(N3CCN(Cc4nc(C)c(C)o4)CC3)nnc2C(C)(C)C)cn1 ZINC001286899341 1061388074 /nfs/dbraw/zinc/38/80/74/1061388074.db2.gz OCLMMCINGOEZPZ-UHFFFAOYSA-N 0 0 466.590 2.904 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCN(CC(=O)N3CCCC3)CC2)c1 ZINC001286899244 1061388107 /nfs/dbraw/zinc/38/81/07/1061388107.db2.gz PHOLZYSNYZEWPV-UHFFFAOYSA-N 0 0 481.645 2.618 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCCOC3)nnc2N2CCC(NS(C)(=O)=O)CC2)c1 ZINC001289767576 1061388214 /nfs/dbraw/zinc/38/82/14/1061388214.db2.gz OCKORRVISNUZKY-INIZCTEOSA-N 0 0 499.584 2.648 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)c1 ZINC001286899367 1061388665 /nfs/dbraw/zinc/38/86/65/1061388665.db2.gz SEGYGIUWUULUOU-IBGZPJMESA-N 0 0 456.572 2.683 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c(Cc3ccncc3)nnc2N(C)CC(=O)N2CCOCC2)c1 ZINC001289768146 1061388612 /nfs/dbraw/zinc/38/86/12/1061388612.db2.gz QBYHITAFDVJGTM-UHFFFAOYSA-N 0 0 486.523 2.517 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@H](OCC(C)C)C2)c1 ZINC001286899461 1061389010 /nfs/dbraw/zinc/38/90/10/1061389010.db2.gz QWKHMXRUNQSALO-NRFANRHFSA-N 0 0 454.575 2.772 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC001286899493 1061389054 /nfs/dbraw/zinc/38/90/54/1061389054.db2.gz RDYISPABUNLOHW-SUMWQHHRSA-N 0 0 468.480 2.579 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1 ZINC001286899490 1061389076 /nfs/dbraw/zinc/38/90/76/1061389076.db2.gz RDYISPABUNLOHW-CXAGYDPISA-N 0 0 468.480 2.579 20 0 JFADRN Cc1ccc(OC2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3NC(=O)CC3(C)C)CC2)cc1 ZINC001289768878 1061389655 /nfs/dbraw/zinc/38/96/55/1061389655.db2.gz MHTXGTFWOLFUKR-FQEVSTJZSA-N 0 0 468.602 2.687 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@@H]2CCCO2)cc1C ZINC001289768920 1061389677 /nfs/dbraw/zinc/38/96/77/1061389677.db2.gz NGESSACDBFVZDM-GGPKGHCWSA-N 0 0 450.605 2.911 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C)C2)cn1 ZINC001286899923 1061390855 /nfs/dbraw/zinc/39/08/55/1061390855.db2.gz YVXXJTPMTPXVLT-APWZRJJASA-N 0 0 485.589 2.977 20 0 JFADRN CC(C)(C)OC(=O)N(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2)C[C@H]1CCCO1 ZINC001289771761 1061392533 /nfs/dbraw/zinc/39/25/33/1061392533.db2.gz ZCHFXQNZCCRMSF-SJORKVTESA-N 0 0 453.580 2.918 20 0 JFADRN CC(=O)Nc1ccc(N2C[C@@H](C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)CC34CC4)CC2=O)cc1 ZINC001289771730 1061392550 /nfs/dbraw/zinc/39/25/50/1061392550.db2.gz YQPKIGJIHZAUAR-LPHOPBHVSA-N 0 0 456.543 2.514 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC2(O)CCCCC2)cc1 ZINC001289771814 1061392566 /nfs/dbraw/zinc/39/25/66/1061392566.db2.gz AGEGZSZPOYKEDI-GOSISDBHSA-N 0 0 450.605 2.730 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC(N)=O)n2CCN2CCc3sccc3C2)cc1 ZINC001289772387 1061393463 /nfs/dbraw/zinc/39/34/63/1061393463.db2.gz HNHINUXDTVYSNH-SFHVURJKSA-N 0 0 468.627 2.985 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(OC(F)F)c3)n2CCn2cncn2)CC1 ZINC001286901117 1061393776 /nfs/dbraw/zinc/39/37/76/1061393776.db2.gz BNUHZEMMWNLSPP-UHFFFAOYSA-N 0 0 474.516 2.722 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC2(C(N)=O)CCCC2)cc1 ZINC001289773125 1061394145 /nfs/dbraw/zinc/39/41/45/1061394145.db2.gz BIFAWHQBEUOTDM-UHFFFAOYSA-N 0 0 456.591 2.562 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3cnccn3)n2CCc2sc(C)nc2C)CC1 ZINC001286901267 1061394199 /nfs/dbraw/zinc/39/41/99/1061394199.db2.gz PKTMVWNUMNZFGT-UHFFFAOYSA-N 0 0 454.604 2.935 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCCCO3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001286901359 1061394291 /nfs/dbraw/zinc/39/42/91/1061394291.db2.gz RTRNWLUFYDPZQV-CBNMVNINSA-N 0 0 455.607 2.913 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3cc4ccccc4o3)n2CCCNS(C)(=O)=O)CC1 ZINC001286901687 1061395051 /nfs/dbraw/zinc/39/50/51/1061395051.db2.gz GFMCWBKDYHUOOH-UHFFFAOYSA-N 0 0 488.614 2.514 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2CC[C@@H]2CCO[C@@H](C)C2)cc1C ZINC001289773732 1061395167 /nfs/dbraw/zinc/39/51/67/1061395167.db2.gz FLOQHBMWSVDXIS-FCHUYYIVSA-N 0 0 485.629 2.974 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001289774048 1061395960 /nfs/dbraw/zinc/39/59/60/1061395960.db2.gz PKNKHPJPYZBGRC-HKUYNNGSSA-N 0 0 469.508 2.654 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2C[C@H]2CCC[C@@H](O)C2)cc1 ZINC001289773984 1061396080 /nfs/dbraw/zinc/39/60/80/1061396080.db2.gz OVBDHZIBDMCCMN-PZJWPPBQSA-N 0 0 491.658 2.577 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001289774055 1061396515 /nfs/dbraw/zinc/39/65/15/1061396515.db2.gz PKNKHPJPYZBGRC-PKOBYXMFSA-N 0 0 469.508 2.654 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@H](C)Oc3ccccc3F)n2CCNC(=O)C2CC2)CC1 ZINC001286902336 1061397346 /nfs/dbraw/zinc/39/73/46/1061397346.db2.gz OZTFZGMXVXQHGN-DZIBYMRMSA-N 0 0 486.592 2.967 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2Cc2ncccc2N(C)C)cc1 ZINC001289775126 1061397478 /nfs/dbraw/zinc/39/74/78/1061397478.db2.gz TVEGMBWEGVSPDW-SFHVURJKSA-N 0 0 472.615 2.544 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@H]2CC23CCOCC3)cc1 ZINC001289775119 1061397628 /nfs/dbraw/zinc/39/76/28/1061397628.db2.gz TUUVVBZBRACQGW-RBUKOAKNSA-N 0 0 462.616 2.852 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@@H]2OCCC2(C)C)cc1C ZINC001289775358 1061397885 /nfs/dbraw/zinc/39/78/85/1061397885.db2.gz OWGWWVKEYCCFPC-ICSRJNTNSA-N 0 0 462.616 2.912 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(CNC(=O)c3cccs3)n2Cc2c(C)nn(C)c2C)CC1 ZINC001286902546 1061398505 /nfs/dbraw/zinc/39/85/05/1061398505.db2.gz BSVSFTMSUOQQKX-UHFFFAOYSA-N 0 0 498.657 2.552 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(CCc3ccccc3)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001286902559 1061398570 /nfs/dbraw/zinc/39/85/70/1061398570.db2.gz 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BXHJQXSFYCJBJO-CYFREDJKSA-N 0 0 457.575 2.994 20 0 JFADRN CC(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC001286917223 1061502985 /nfs/dbraw/zinc/50/29/85/1061502985.db2.gz HGJNTKUXZGFLIJ-KRWDZBQOSA-N 0 0 467.492 2.876 20 0 JFADRN CC(=O)NC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2cnn(C)c2)CC1 ZINC001286917945 1061504210 /nfs/dbraw/zinc/50/42/10/1061504210.db2.gz CPLIULTVXCYOFB-UHFFFAOYSA-N 0 0 472.391 2.903 20 0 JFADRN CC(=O)NC1CCN(c2nnc(-c3ccccc3Br)n2CCSCCCO)CC1 ZINC001286917872 1061504361 /nfs/dbraw/zinc/50/43/61/1061504361.db2.gz ANGNPHACDHYOCH-UHFFFAOYSA-N 0 0 482.448 2.928 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCOc2cccc(C(F)(F)F)n2)cc1 ZINC001289828466 1061504332 /nfs/dbraw/zinc/50/43/32/1061504332.db2.gz OZKAPOKYWGMZOF-UHFFFAOYSA-N 0 0 476.459 2.595 20 0 JFADRN CC(=O)NC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)NCc2ccccc2)CC1 ZINC001286918131 1061504633 /nfs/dbraw/zinc/50/46/33/1061504633.db2.gz HMKRUWBURGLIIO-UHFFFAOYSA-N 0 0 481.988 2.805 20 0 JFADRN 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Cc1ccc(OCc2nnc(N3CCO[C@@H](COC(C)C)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1C ZINC001289832733 1061508916 /nfs/dbraw/zinc/50/89/16/1061508916.db2.gz ZQVPPNBAWXZIAH-YTFSRNRJSA-N 0 0 474.602 2.644 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCSC(C)(C)C3)n2CCC(=O)N2CCOCC2)cc1 ZINC001289833136 1061509258 /nfs/dbraw/zinc/50/92/58/1061509258.db2.gz DMOIFHBKZXXUJN-UHFFFAOYSA-N 0 0 459.616 2.746 20 0 JFADRN CC(=O)NC1CCN(c2nnc(-c3ccccc3Br)n2CC2(C(N)=O)CCCC2)CC1 ZINC001286919330 1061509309 /nfs/dbraw/zinc/50/93/09/1061509309.db2.gz ZQYPNDKCLKLXON-UHFFFAOYSA-N 0 0 489.418 2.858 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCSC[C@H]3C)n2Cc2ccc(C(N)=O)nc2)cc1C ZINC001289834286 1061511326 /nfs/dbraw/zinc/51/13/26/1061511326.db2.gz VOITVUUDMNUNPF-QGZVFWFLSA-N 0 0 452.584 2.958 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCO[C@H]2C(C)C)cc1C ZINC001289834574 1061511660 /nfs/dbraw/zinc/51/16/60/1061511660.db2.gz XZHQWJLDYKCOJQ-UGKGYDQZSA-N 0 0 462.616 2.770 20 0 JFADRN CC(=O)NC1CCN(c2nnc(Cc3ccsc3)n2CCCNC(=O)c2occc2C)CC1 ZINC001286920034 1061512637 /nfs/dbraw/zinc/51/26/37/1061512637.db2.gz YAEXYBPIOLEJLY-UHFFFAOYSA-N 0 0 470.599 2.757 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCCCOc2ccc(C)cc2)n1 ZINC001289837178 1061513336 /nfs/dbraw/zinc/51/33/36/1061513336.db2.gz BBLPRUXYXNTZLD-NRFANRHFSA-N 0 0 465.602 2.974 20 0 JFADRN Cc1ccc(OCCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCSCC2)cc1 ZINC001289837829 1061513693 /nfs/dbraw/zinc/51/36/93/1061513693.db2.gz JRSVTUBFXRMNME-GOSISDBHSA-N 0 0 450.630 2.901 20 0 JFADRN Cc1ccc(OCCCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncccn3)CC2)cc1 ZINC001289838113 1061514076 /nfs/dbraw/zinc/51/40/76/1061514076.db2.gz NYKLCTVCWZZAJV-UHFFFAOYSA-N 0 0 478.601 2.701 20 0 JFADRN Cc1ccc(OCCCCn2c(-c3cccnc3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 ZINC001289838159 1061514159 /nfs/dbraw/zinc/51/41/59/1061514159.db2.gz OZBZLYZOTDRXGE-UHFFFAOYSA-N 0 0 470.599 2.589 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)O)C1 ZINC001286920935 1061514850 /nfs/dbraw/zinc/51/48/50/1061514850.db2.gz FZSUVZAQEBNJOD-HNNXBMFYSA-N 0 0 450.381 2.831 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC2(O)CCOCC2)C1 ZINC001286921093 1061515703 /nfs/dbraw/zinc/51/57/03/1061515703.db2.gz ILBGXOBUBYASDK-AZUAARDMSA-N 0 0 489.592 2.841 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CC[C@H](CO)O2)C1 ZINC001286921213 1061515779 /nfs/dbraw/zinc/51/57/79/1061515779.db2.gz KAJONQKZYGSACM-FCJDFRRUSA-N 0 0 485.629 2.927 20 0 JFADRN Cc1ccc(OCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](COC(C)C)C2)cc1 ZINC001289841263 1061516324 /nfs/dbraw/zinc/51/63/24/1061516324.db2.gz LTJAZXGTFMWSPP-IRLDBZIGSA-N 0 0 492.642 2.588 20 0 JFADRN Cc1ccc(OCCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)CC2)cc1 ZINC001289840978 1061516462 /nfs/dbraw/zinc/51/64/62/1061516462.db2.gz HDUUXPCIRPOGAT-OAQYLSRUSA-N 0 0 477.631 2.625 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(=O)NCc2ccco2)C1 ZINC001286921350 1061516706 /nfs/dbraw/zinc/51/67/06/1061516706.db2.gz 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GRRAAAMLCJDCHX-KDURUIRLSA-N 0 0 486.617 2.961 20 0 JFADRN Cc1ccc(OCCn2c(-c3cnn(C)c3)nnc2N2CCC(NC(=O)C(C)C)CC2)cc1 ZINC001289848707 1061522006 /nfs/dbraw/zinc/52/20/06/1061522006.db2.gz IWTDTNXDOJQECT-UHFFFAOYSA-N 0 0 451.575 2.807 20 0 JFADRN Cc1ccc(OCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3nnc(C(C)C)o3)C2)cc1 ZINC001289849698 1061522364 /nfs/dbraw/zinc/52/23/64/1061522364.db2.gz RZMYKVRRPBXWDH-IBGZPJMESA-N 0 0 483.573 2.888 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC(F)(F)F)C1 ZINC001286922468 1061522410 /nfs/dbraw/zinc/52/24/10/1061522410.db2.gz USHTZNKSTGGBSU-HNNXBMFYSA-N 0 0 453.469 2.620 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccc(C)cc3)n2CC2(S(C)(=O)=O)CCC2)n1 ZINC001289850129 1061522705 /nfs/dbraw/zinc/52/27/05/1061522705.db2.gz WVYTYRVMYNARRJ-UHFFFAOYSA-N 0 0 486.642 2.931 20 0 JFADRN Cc1ccc(OCCn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001289850276 1061523373 /nfs/dbraw/zinc/52/33/73/1061523373.db2.gz SIGPZJNDIBHHPW-HOJAQTOUSA-N 0 0 484.601 2.966 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(C)coc2C)C1 ZINC001286922518 1061523402 /nfs/dbraw/zinc/52/34/02/1061523402.db2.gz VCSOWJSGURRPAN-RDPSFJRHSA-N 0 0 459.591 2.929 20 0 JFADRN Cc1ccc(OCCn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001289850294 1061523463 /nfs/dbraw/zinc/52/34/63/1061523463.db2.gz SIGPZJNDIBHHPW-YZGWKJHDSA-N 0 0 484.601 2.966 20 0 JFADRN COc1cc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc(OC)c1 ZINC001289853582 1061524446 /nfs/dbraw/zinc/52/44/46/1061524446.db2.gz FPCDAPRNOUFQNW-QGZVFWFLSA-N 0 0 452.598 2.833 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC001286923241 1061525079 /nfs/dbraw/zinc/52/50/79/1061525079.db2.gz HWSJZZMGRIWACG-FPOVZHCZSA-N 0 0 494.562 2.869 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@H]2C)cc1 ZINC001289854748 1061526152 /nfs/dbraw/zinc/52/61/52/1061526152.db2.gz JSYRBCONGSFXGH-MOPGFXCFSA-N 0 0 476.647 2.576 20 0 JFADRN 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ZINC001286944710 1061615866 /nfs/dbraw/zinc/61/58/66/1061615866.db2.gz URRRHQPMCZUBMI-RBUKOAKNSA-N 0 0 459.566 2.630 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCC2CCOCC2)CCO1 ZINC001286944759 1061615903 /nfs/dbraw/zinc/61/59/03/1061615903.db2.gz GBNUSZPFEJHKPJ-JOCHJYFZSA-N 0 0 459.566 2.556 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCc3ccc(Br)cc3)n2CCNS(C)(=O)=O)n1 ZINC001289923579 1061616404 /nfs/dbraw/zinc/61/64/04/1061616404.db2.gz ALORQEUETIOPOZ-UHFFFAOYSA-N 0 0 493.431 2.639 20 0 JFADRN CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 ZINC001294135744 1061617437 /nfs/dbraw/zinc/61/74/37/1061617437.db2.gz BUDWKOYLKXXEKD-VXKWHMMOSA-N 0 0 490.674 2.906 20 0 JFADRN CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC001294136083 1061617491 /nfs/dbraw/zinc/61/74/91/1061617491.db2.gz CJRLJLIQMVPUHW-LEWJYISDSA-N 0 0 476.647 2.882 20 0 JFADRN CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC001294136092 1061618467 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RYBYMCMFPQFFPA-KRWDZBQOSA-N 0 0 477.057 2.695 20 0 JFADRN CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001294260854 1061763078 /nfs/dbraw/zinc/76/30/78/1061763078.db2.gz PECMMFCACKSPMQ-IBGZPJMESA-N 0 0 476.647 2.737 20 0 JFADRN CCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)CC1 ZINC001290045878 1061763556 /nfs/dbraw/zinc/76/35/56/1061763556.db2.gz LLIAZBNJVFSKIF-UHFFFAOYSA-N 0 0 451.633 2.740 20 0 JFADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2cccc(C)c2)n1CC(=O)NCC(F)(F)F ZINC001290046061 1061763998 /nfs/dbraw/zinc/76/39/98/1061763998.db2.gz CDDLWOLXGAKKCW-UHFFFAOYSA-N 0 0 479.507 2.831 20 0 JFADRN Cc1cc(Br)c(N)c(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC001290046441 1061765415 /nfs/dbraw/zinc/76/54/15/1061765415.db2.gz QXWFWTQATRUWTL-UHFFFAOYSA-N 0 0 452.374 2.628 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC(C)(C)O ZINC001286973956 1061765719 /nfs/dbraw/zinc/76/57/19/1061765719.db2.gz YQKBMUJCLBKTKN-HZPDHXFCSA-N 0 0 460.604 2.754 20 0 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C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CCCN1CCc2ccccc2C1 ZINC001286974449 1061769277 /nfs/dbraw/zinc/76/92/77/1061769277.db2.gz FYGGNSNLLKHKFJ-SFTDATJTSA-N 0 0 496.681 2.970 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1Cn1cccn1 ZINC001286974566 1061769903 /nfs/dbraw/zinc/76/99/03/1061769903.db2.gz HGOPRIOLUBERQP-DXIQSLLYSA-N 0 0 486.642 2.723 20 0 JFADRN CCCCn1c(C2CCCC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@@H]2C1 ZINC001294278477 1061770133 /nfs/dbraw/zinc/77/01/33/1061770133.db2.gz ILSNWIXUNMJDPS-FGTMMUONSA-N 0 0 467.636 2.862 20 0 JFADRN CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 ZINC001294279071 1061770586 /nfs/dbraw/zinc/77/05/86/1061770586.db2.gz ALYVVGONMOTJNL-QFBILLFUSA-N 0 0 484.022 2.722 20 0 JFADRN CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 ZINC001294279309 1061770982 /nfs/dbraw/zinc/77/09/82/1061770982.db2.gz CRLZPRAFHIBNLT-FQEVSTJZSA-N 0 0 475.615 2.685 20 0 JFADRN 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Cc1cccc(OCc2nnc(N(C)CCOC(C)(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)c1 ZINC001290055453 1061775234 /nfs/dbraw/zinc/77/52/34/1061775234.db2.gz MFKCWMJAILODKZ-LJQANCHMSA-N 0 0 479.647 2.841 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(C)(F)F)c1 ZINC001286975190 1061775341 /nfs/dbraw/zinc/77/53/41/1061775341.db2.gz CFASJOJEWJOFTO-HOTGVXAUSA-N 0 0 483.585 2.818 20 0 JFADRN CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 ZINC001294288784 1061775405 /nfs/dbraw/zinc/77/54/05/1061775405.db2.gz YRFKDQNDLVAEAN-UHFFFAOYSA-N 0 0 466.611 2.961 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1CC(C)(C)c1ccccn1 ZINC001286975288 1061776002 /nfs/dbraw/zinc/77/60/02/1061776002.db2.gz LLCCZJIQAGDXJO-ROUUACIJSA-N 0 0 456.616 2.895 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)CCN3CCOCC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001290056225 1061776455 /nfs/dbraw/zinc/77/64/55/1061776455.db2.gz UARHNYLRKUOIBO-HXUWFJFHSA-N 0 0 488.633 2.847 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccccn2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001286975355 1061776624 /nfs/dbraw/zinc/77/66/24/1061776624.db2.gz LVLBRKAMBYYSNH-HMFYCAOWSA-N 0 0 488.633 2.964 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC001290056646 1061776501 /nfs/dbraw/zinc/77/65/01/1061776501.db2.gz ZEVVUDZNAJTRGL-PMACEKPBSA-N 0 0 493.674 2.534 20 0 JFADRN CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001294290439 1061776825 /nfs/dbraw/zinc/77/68/25/1061776825.db2.gz TWRWZNYRVYXIQE-UHFFFAOYSA-N 0 0 477.034 2.951 20 0 JFADRN Cc1ccoc1C(=O)NCCCn1c(COc2cccc(C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001290057960 1061777911 /nfs/dbraw/zinc/77/79/11/1061777911.db2.gz AURZATSZCUNGQP-VWLOTQADSA-N 0 0 480.569 2.589 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cnn(C)c1 ZINC001286975720 1061777976 /nfs/dbraw/zinc/77/79/76/1061777976.db2.gz MLOGDEOAKGEDAF-CABCVRRESA-N 0 0 450.996 2.562 20 0 JFADRN COc1cccc([C@H](O)C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1 ZINC001290058236 1061778412 /nfs/dbraw/zinc/77/84/12/1061778412.db2.gz KFUWAAOZJZSQPU-SFHVURJKSA-N 0 0 459.351 2.569 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cnn(C)c1)S(C)(=O)=O ZINC001286975732 1061778527 /nfs/dbraw/zinc/77/85/27/1061778527.db2.gz MLOGDEOAKGEDAF-LSDHHAIUSA-N 0 0 450.996 2.562 20 0 JFADRN O=C(CCC(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)Nc1nnc(C2CC2)o1 ZINC001294293894 1061778537 /nfs/dbraw/zinc/77/85/37/1061778537.db2.gz OPXDCBHCNVWBAU-CYBMUJFWSA-N 0 0 451.405 2.606 20 0 JFADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)CCC(=O)c3ccc4c(c3)CCC(=O)N4)C2)c1 ZINC001294293610 1061778597 /nfs/dbraw/zinc/77/85/97/1061778597.db2.gz WYGZEFSJDJLANV-GOSISDBHSA-N 0 0 451.523 2.947 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2C[C@@](C)(O)C2CC2)c1 ZINC001290058873 1061778788 /nfs/dbraw/zinc/77/87/88/1061778788.db2.gz HJTJJUZWRJCCHZ-KSFYIVLOSA-N 0 0 481.519 2.831 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CC2(C(=O)N(C)C)CCCC2)c1 ZINC001290059296 1061779183 /nfs/dbraw/zinc/77/91/83/1061779183.db2.gz KAYCMOOEARTKGJ-UHFFFAOYSA-N 0 0 468.602 2.516 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@H](C)[C@@H](C)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC001290059785 1061779680 /nfs/dbraw/zinc/77/96/80/1061779680.db2.gz NJBJDXNCRGQXFZ-UFYCRDLUSA-N 0 0 461.632 2.929 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001290059823 1061780506 /nfs/dbraw/zinc/78/05/06/1061780506.db2.gz NZTIDTDHHNDUOJ-JTSKRJEESA-N 0 0 480.535 2.751 20 0 JFADRN CCCCn1cc(Cn2c([C@@H](C)CC)nnc2N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)c(C)n1 ZINC001294295820 1061781022 /nfs/dbraw/zinc/78/10/22/1061781022.db2.gz LKODIAXZHJSWLB-OXJNMPFZSA-N 0 0 470.622 2.912 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2ccc(OCC(F)(F)F)nc2)c1 ZINC001290060486 1061781290 /nfs/dbraw/zinc/78/12/90/1061781290.db2.gz WSOFGFYSMXPZQE-QGZVFWFLSA-N 0 0 490.486 2.862 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 ZINC001286976171 1061781670 /nfs/dbraw/zinc/78/16/70/1061781670.db2.gz IFZTUVBXJVFPAJ-UHFFFAOYSA-N 0 0 475.659 2.863 20 0 JFADRN CCCCn1cc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)c(C)n1 ZINC001294296047 1061781816 /nfs/dbraw/zinc/78/18/16/1061781816.db2.gz RCTDYTPATGCRGH-IBGZPJMESA-N 0 0 489.646 2.965 20 0 JFADRN Cc1csc(Cn2c(COc3cccc(C)c3)nnc2N2CCC(S(C)(=O)=O)CC2)n1 ZINC001290062356 1061783015 /nfs/dbraw/zinc/78/30/15/1061783015.db2.gz FUFFNHFZEANPIL-UHFFFAOYSA-N 0 0 461.613 2.992 20 0 JFADRN CCCCn1cc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCC3(CNC(=O)C3)CC2)c(C)n1 ZINC001294296512 1061783433 /nfs/dbraw/zinc/78/34/33/1061783433.db2.gz PVEVQGSCMHQKRT-UHFFFAOYSA-N 0 0 484.649 2.656 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(Cl)c2)CC1 ZINC001286976434 1061783824 /nfs/dbraw/zinc/78/38/24/1061783824.db2.gz FERBMXVVZSWOED-MRXNPFEDSA-N 0 0 498.024 2.716 20 0 JFADRN CCCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)c(C)n1 ZINC001294296877 1061784265 /nfs/dbraw/zinc/78/42/65/1061784265.db2.gz SLERNWFEQJWUAF-INIZCTEOSA-N 0 0 484.571 2.842 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2C[C@@H]2CCOC[C@@H]2C)c1 ZINC001290062472 1061784395 /nfs/dbraw/zinc/78/43/95/1061784395.db2.gz ITSWJFXEGWMEQK-PMACEKPBSA-N 0 0 491.658 2.698 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCOC(C)(C)C1)S(C)(=O)=O ZINC001286976486 1061784412 /nfs/dbraw/zinc/78/44/12/1061784412.db2.gz OVABRLUMQBJXEJ-ZWKOTPCHSA-N 0 0 498.093 2.891 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)NCc1ccco1 ZINC001286976493 1061784527 /nfs/dbraw/zinc/78/45/27/1061784527.db2.gz OXTJOBWHHXPLAK-HOTGVXAUSA-N 0 0 494.017 2.690 20 0 JFADRN CCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001294297041 1061785021 /nfs/dbraw/zinc/78/50/21/1061785021.db2.gz QAUSGZMLGZXVJI-RYQLBKOJSA-N 0 0 461.611 2.889 20 0 JFADRN CCCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)O[C@]3(CCCOC3)C2)c(C)n1 ZINC001294297519 1061785526 /nfs/dbraw/zinc/78/55/26/1061785526.db2.gz YCRKZBRWJDCJEP-HOYKHHGWSA-N 0 0 473.622 2.544 20 0 JFADRN CCCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)O[C@@]3(CCCOC3)C2)c(C)n1 ZINC001294297526 1061785608 /nfs/dbraw/zinc/78/56/08/1061785608.db2.gz YCRKZBRWJDCJEP-UUOWRZLLSA-N 0 0 473.622 2.544 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1CCN1CCc2sccc2C1 ZINC001286976807 1061787406 /nfs/dbraw/zinc/78/74/06/1061787406.db2.gz DUGQKVYBXUHZEE-CVEARBPZSA-N 0 0 462.645 2.651 20 0 JFADRN CCCCn1cc(Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)c(C)n1 ZINC001294299781 1061787809 /nfs/dbraw/zinc/78/78/09/1061787809.db2.gz SUQMVRVKFZEVKL-HXUWFJFHSA-N 0 0 465.606 2.829 20 0 JFADRN CCCCn1cc(Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(C)CCC(=O)NC)c(C)n1 ZINC001294299789 1061788216 /nfs/dbraw/zinc/78/82/16/1061788216.db2.gz TWCJDKDBDLXUBA-UHFFFAOYSA-N 0 0 477.573 2.520 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CCc2ccncc2)c1 ZINC001290065259 1061789943 /nfs/dbraw/zinc/78/99/43/1061789943.db2.gz FYMWNZMGFPJXKG-NRFANRHFSA-N 0 0 455.584 2.817 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1Cc1ccnc(N2CCCCC2)c1 ZINC001286977224 1061789961 /nfs/dbraw/zinc/78/99/61/1061789961.db2.gz RCOCIDNSQMWGIL-WOJBJXKFSA-N 0 0 497.669 2.955 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2CCC(C)(F)F)c1 ZINC001290066740 1061790972 /nfs/dbraw/zinc/79/09/72/1061790972.db2.gz PAOAMAOZTNJQFL-KRWDZBQOSA-N 0 0 471.574 2.976 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2C[C@@H]2COCCO2)c1 ZINC001290066674 1061791032 /nfs/dbraw/zinc/79/10/32/1061791032.db2.gz ORYLDSSUWUASRL-RBBKRZOGSA-N 0 0 485.629 2.960 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@@H](n4cnc(C(N)=O)n4)C3)n2CCC(C)(F)F)c1 ZINC001290066399 1061791067 /nfs/dbraw/zinc/79/10/67/1061791067.db2.gz LVWAYVONULIBLQ-MRXNPFEDSA-N 0 0 474.516 2.743 20 0 JFADRN CCCCn1cc(Cn2c(Cc3ccncc3)nnc2N2CCN(C(C)=O)C[C@@H]2C)c(C)n1 ZINC001294303891 1061791287 /nfs/dbraw/zinc/79/12/87/1061791287.db2.gz HZGLZRGBTBZKFC-SFHVURJKSA-N 0 0 450.591 2.674 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCn2cncn2)c1 ZINC001290066788 1061791299 /nfs/dbraw/zinc/79/12/99/1061791299.db2.gz PMJKPCAXGMJTQS-LJQANCHMSA-N 0 0 466.590 2.588 20 0 JFADRN CCCCn1cc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)c(C)n1 ZINC001294304258 1061791797 /nfs/dbraw/zinc/79/17/97/1061791797.db2.gz NGMSKVNLQJBVJD-QAPCUYQASA-N 0 0 483.539 2.910 20 0 JFADRN CCCCn1cc(Cn2c(CC)nnc2N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c(C)n1 ZINC001294304839 1061791815 /nfs/dbraw/zinc/79/18/15/1061791815.db2.gz RCFCWEGKFVKXFB-UHFFFAOYSA-N 0 0 466.590 2.736 20 0 JFADRN Cc1noc(CCCn2c(COc3cccc(C)c3)nnc2N2CCC[C@H](CC(N)=O)C2)n1 ZINC001290067114 1061791888 /nfs/dbraw/zinc/79/18/88/1061791888.db2.gz VWTVWJFYUNJXER-GOSISDBHSA-N 0 0 453.547 2.582 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC=C(Br)C3)n2CCCn2cnnn2)c1 ZINC001290067075 1061791994 /nfs/dbraw/zinc/79/19/94/1061791994.db2.gz VFNNRYQMLMAGHF-UHFFFAOYSA-N 0 0 459.352 2.731 20 0 JFADRN CCCCn1cc(Cn2c(CC(C)(C)C)nnc2N2CCN(CC(=O)N3CCCC3)CC2)c(C)n1 ZINC001294304950 1061792203 /nfs/dbraw/zinc/79/22/03/1061792203.db2.gz SNJTWJCNYQXDIM-UHFFFAOYSA-N 0 0 484.693 2.964 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1CCCCNC(=O)OC(C)(C)C ZINC001286977720 1061793359 /nfs/dbraw/zinc/79/33/59/1061793359.db2.gz GKQAAZGZDXWTLN-CVEARBPZSA-N 0 0 468.624 2.836 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(F)F)c1)S(C)(=O)=O ZINC001286977781 1061793875 /nfs/dbraw/zinc/79/38/75/1061793875.db2.gz GRIIDICHDKCEAM-UONOGXRCSA-N 0 0 452.531 2.922 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@@H]2CC[C@H](F)C2)c1 ZINC001290069414 1061794362 /nfs/dbraw/zinc/79/43/62/1061794362.db2.gz IEQWMBDUOPQGQW-MOPGFXCFSA-N 0 0 465.595 2.775 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCCC[C@@H](C)C3)n2CCNS(=O)(=O)Cc2ccon2)c1 ZINC001290069555 1061794386 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CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2Cc2cnnn2C)C1 ZINC001287122907 1062375554 /nfs/dbraw/zinc/37/55/54/1062375554.db2.gz IDCTXEUOBAMTPD-MRXNPFEDSA-N 0 0 456.982 2.764 20 0 JFADRN CCCNC(=O)c1cccc(Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](NC(=O)CC)C2)c1 ZINC001294776751 1062376419 /nfs/dbraw/zinc/37/64/19/1062376419.db2.gz IYXHJYOCXQCEFK-HSZRJFAPSA-N 0 0 489.624 2.947 20 0 JFADRN CC(C)C(=O)NC1CCN(c2nnc(C3CCC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001287123252 1062376701 /nfs/dbraw/zinc/37/67/01/1062376701.db2.gz HNAMYBCWTGFAII-UHFFFAOYSA-N 0 0 451.637 2.644 20 0 JFADRN CC(C)C(=O)NC1CCN(c2nnc(C3CC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001287123303 1062376724 /nfs/dbraw/zinc/37/67/24/1062376724.db2.gz JKGOZCSTQVBTOA-UHFFFAOYSA-N 0 0 466.512 2.817 20 0 JFADRN CC(C)C(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCCCC2)C1 ZINC001287123351 1062376765 /nfs/dbraw/zinc/37/67/65/1062376765.db2.gz AMOQSFBKHOUCKC-UXHICEINSA-N 0 0 465.664 2.749 20 0 JFADRN 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CVIKOGAWDMZHBY-QGZVFWFLSA-N 0 0 458.316 2.913 20 0 JFADRN CC(C)(C)OC(=O)NC1(CNC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)CCC1 ZINC001295467723 1063473820 /nfs/dbraw/zinc/47/38/20/1063473820.db2.gz PIWIKPYWIHAEQZ-HSZRJFAPSA-N 0 0 456.543 2.549 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCCn2cc(CO)nn2)C[C@H](C(F)(F)F)O1 ZINC001291226722 1063473777 /nfs/dbraw/zinc/47/37/77/1063473777.db2.gz MFFYBNPMNLRDRU-CXAGYDPISA-N 0 0 485.898 2.929 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CCCNS(C)(=O)=O)C[C@@H](C)S1 ZINC001291226980 1063474721 /nfs/dbraw/zinc/47/47/21/1063474721.db2.gz QFZUUIGBZWZVGL-ZIAGYGMSSA-N 0 0 488.477 2.977 20 0 JFADRN O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001295468627 1063474784 /nfs/dbraw/zinc/47/47/84/1063474784.db2.gz WYXJODXCLOTDKC-LJQANCHMSA-N 0 0 450.601 2.909 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC2([S@](C)=O)CC2)CCN1C(=O)OC(C)(C)C ZINC001291227556 1063475693 /nfs/dbraw/zinc/47/56/93/1063475693.db2.gz BNHNIJAGIBQIRG-FTDQSSOUSA-N 0 0 460.604 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C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCSCCCO)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291236135 1063500554 /nfs/dbraw/zinc/50/05/54/1063500554.db2.gz ZNAFNZBWBNITES-WBVHZDCISA-N 0 0 450.609 2.738 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)C(C)(C)C)C[C@@H](c2ccccc2)O1 ZINC001291236272 1063500592 /nfs/dbraw/zinc/50/05/92/1063500592.db2.gz BZHWIBYKQMKCQI-XLIONFOSSA-N 0 0 472.615 2.858 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(F)cn2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291237167 1063502637 /nfs/dbraw/zinc/50/26/37/1063502637.db2.gz SAVADCSZFYUUII-RDTXWAMCSA-N 0 0 454.510 2.667 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCS(C)(=O)=O)C[C@H](C(F)(F)F)O1 ZINC001291237688 1063503574 /nfs/dbraw/zinc/50/35/74/1063503574.db2.gz BNRRWXHLUTXONW-CXAGYDPISA-N 0 0 485.488 2.801 20 0 JFADRN C[C@H]1CN(c2nnc(-c3cnccn3)n2CCc2nccc(C(F)(F)F)n2)C[C@@H](C(F)(F)F)O1 ZINC001291238062 1063504668 /nfs/dbraw/zinc/50/46/68/1063504668.db2.gz IVWWLWOMIBBEFZ-FZMZJTMJSA-N 0 0 488.396 2.943 20 0 JFADRN 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CC[C@@H](C)[C@@H](Cn1c(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)nnc1C(C)(C)C)OC ZINC001291425684 1064008401 /nfs/dbraw/zinc/00/84/01/1064008401.db2.gz OBBDOUQSPGFYPR-NVXWUHKLSA-N 0 0 484.692 2.913 20 0 JFADRN CCn1cnnc1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(CCCO)CC1 ZINC001295959319 1064008659 /nfs/dbraw/zinc/00/86/59/1064008659.db2.gz DBQOJWDCQPZKTH-UHFFFAOYSA-N 0 0 455.563 2.611 20 0 JFADRN CCn1cnnc1Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001295959518 1064009059 /nfs/dbraw/zinc/00/90/59/1064009059.db2.gz AEEHITRZQVJQJA-CVEARBPZSA-N 0 0 455.567 2.672 20 0 JFADRN CCn1cnnc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001295959602 1064009071 /nfs/dbraw/zinc/00/90/71/1064009071.db2.gz IRNOCYFRQMBYBJ-UHFFFAOYSA-N 0 0 487.406 2.768 20 0 JFADRN CCn1cnnc1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001295959981 1064009329 /nfs/dbraw/zinc/00/93/29/1064009329.db2.gz OETPHMUFWISVPT-IBGZPJMESA-N 0 0 466.590 2.731 20 0 JFADRN CC[C@H](C)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)OC ZINC001291426607 1064009804 /nfs/dbraw/zinc/00/98/04/1064009804.db2.gz ZWXRQLUWJKULQO-IEZWGBDMSA-N 0 0 454.568 2.681 20 0 JFADRN CC[C@@H](C)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccccn2)CC1)OC ZINC001291427267 1064010239 /nfs/dbraw/zinc/01/02/39/1064010239.db2.gz IKKNPGAQDLLIPU-AQCRLBJHSA-N 0 0 458.607 2.785 20 0 JFADRN CCn1cnnc1Cn1c(-c2ccccn2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC001295960687 1064010746 /nfs/dbraw/zinc/01/07/46/1064010746.db2.gz PHFONXSHDUOJJD-SFHVURJKSA-N 0 0 459.558 2.656 20 0 JFADRN CCn1cnnc1Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001295960953 1064010824 /nfs/dbraw/zinc/01/08/24/1064010824.db2.gz WTTULCDQQLAGQO-KRWDZBQOSA-N 0 0 454.579 2.883 20 0 JFADRN CCn1cnnc1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCCOC ZINC001295960699 1064010843 /nfs/dbraw/zinc/01/08/43/1064010843.db2.gz VOSALWRCMGQPKV-UHFFFAOYSA-N 0 0 464.368 2.849 20 0 JFADRN CC[C@H](C)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2F)CC1)OC ZINC001291428212 1064011363 /nfs/dbraw/zinc/01/13/63/1064011363.db2.gz UDURHICMWSQSAV-MMKMLUHNSA-N 0 0 476.597 2.924 20 0 JFADRN CCn1cnnc1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CCOC)CC1CC1 ZINC001295962353 1064011482 /nfs/dbraw/zinc/01/14/82/1064011482.db2.gz DFLVZJPSLKXWEK-UHFFFAOYSA-N 0 0 488.637 2.915 20 0 JFADRN CC[C@@H](C)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2F)CC1)OC ZINC001291428214 1064011800 /nfs/dbraw/zinc/01/18/00/1064011800.db2.gz UDURHICMWSQSAV-ZFMNYDKASA-N 0 0 476.597 2.924 20 0 JFADRN CC[C@H](C)c1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1CC1([S@@](C)=O)CCC1 ZINC001291428471 1064012190 /nfs/dbraw/zinc/01/21/90/1064012190.db2.gz YDFMHBXVGNDBDD-BODSMFSISA-N 0 0 467.661 2.938 20 0 JFADRN CCn1cnnc1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001295963463 1064012301 /nfs/dbraw/zinc/01/23/01/1064012301.db2.gz LWQMTZSPKCBDEN-MSOLQXFVSA-N 0 0 474.610 2.873 20 0 JFADRN CC[C@H](C)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1CCNc1nccc(C(F)(F)F)n1 ZINC001291431061 1064012556 /nfs/dbraw/zinc/01/25/56/1064012556.db2.gz JEQKOUIFOPQCJY-QWHCGFSZSA-N 0 0 463.530 2.582 20 0 JFADRN CCn1cnnc1Cn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001295965450 1064013793 /nfs/dbraw/zinc/01/37/93/1064013793.db2.gz ZZXOQOQPKWOXDS-SFHVURJKSA-N 0 0 451.579 2.695 20 0 JFADRN CCn1cnnc1Cn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001295965447 1064013823 /nfs/dbraw/zinc/01/38/23/1064013823.db2.gz ZZXOQOQPKWOXDS-GOSISDBHSA-N 0 0 451.579 2.695 20 0 JFADRN CC[C@@H](C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1Cc1ccnc(OCC2CC2)c1 ZINC001291434030 1064013984 /nfs/dbraw/zinc/01/39/84/1064013984.db2.gz HRVWQVZKNBXRPS-QGZVFWFLSA-N 0 0 476.647 2.884 20 0 JFADRN O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001295967041 1064014183 /nfs/dbraw/zinc/01/41/83/1064014183.db2.gz QYJNPZJSFLECLK-XZJROXQQSA-N 0 0 452.882 2.711 20 0 JFADRN CCn1cnnc1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001295967541 1064014593 /nfs/dbraw/zinc/01/45/93/1064014593.db2.gz QKUSPOLOSGHMBR-UHFFFAOYSA-N 0 0 465.509 2.979 20 0 JFADRN CCn1cnnc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(OC)c(F)c1 ZINC001295967831 1064014911 /nfs/dbraw/zinc/01/49/11/1064014911.db2.gz UKFAETCEWQUNLK-UHFFFAOYSA-N 0 0 453.526 2.584 20 0 JFADRN CCn1cnnc1Cn1c(Cc2ccccc2C)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001295967823 1064014918 /nfs/dbraw/zinc/01/49/18/1064014918.db2.gz UFNMJCBDVWMIBT-UHFFFAOYSA-N 0 0 462.524 2.911 20 0 JFADRN CCn1cnnc1Cn1c(CCc2ccccc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001295967850 1064014932 /nfs/dbraw/zinc/01/49/32/1064014932.db2.gz VEUNVXQLMFCUGP-KRWDZBQOSA-N 0 0 462.524 2.796 20 0 JFADRN CC[C@@H](C)c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNS(=O)(=O)CC ZINC001291434684 1064015487 /nfs/dbraw/zinc/01/54/87/1064015487.db2.gz RSEHDOYWLXEBTM-MRXNPFEDSA-N 0 0 472.656 2.567 20 0 JFADRN CCn1cnnc1Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001295968735 1064015595 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CC[C@H](C)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC001291456396 1064022527 /nfs/dbraw/zinc/02/25/27/1064022527.db2.gz PRXHNKNKZFDJGB-QFIPXVFZSA-N 0 0 497.688 2.687 20 0 JFADRN CCn1cnnc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001295976618 1064022625 /nfs/dbraw/zinc/02/26/25/1064022625.db2.gz HSAONVOZAXLJIH-NLWGTHIKSA-N 0 0 472.638 2.597 20 0 JFADRN CC[C@@H](C)c1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1Cc1ccc(C)n(C)c1=O ZINC001291456810 1064022553 /nfs/dbraw/zinc/02/25/53/1064022553.db2.gz YPOXYHJFASWPQM-MRXNPFEDSA-N 0 0 462.554 2.579 20 0 JFADRN CC[C@H](C)c1nnc(N(C)CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001291456883 1064022978 /nfs/dbraw/zinc/02/29/78/1064022978.db2.gz ZNSYQWGETWTWAJ-VXKWHMMOSA-N 0 0 488.702 2.875 20 0 JFADRN CC[C@H](C)c1nnc(N(C)CCN2CCOCC2)n1CCCn1cc(Br)cn1 ZINC001291457315 1064023822 /nfs/dbraw/zinc/02/38/22/1064023822.db2.gz JEZHAQGTTDONQI-INIZCTEOSA-N 0 0 454.417 2.609 20 0 JFADRN CC[C@H](C)c1nnc(N(C)CCN2CCOCC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001291457526 1064023879 /nfs/dbraw/zinc/02/38/79/1064023879.db2.gz NPJQUUHYVYTOFM-UGKGYDQZSA-N 0 0 470.618 2.726 20 0 JFADRN CC[C@@H](C)c1nnc(N(C)CCOc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001291458650 1064024804 /nfs/dbraw/zinc/02/48/04/1064024804.db2.gz LMQNIRVEFHOBOA-IAGOWNOFSA-N 0 0 453.584 2.870 20 0 JFADRN CC[C@H](C)c1nnc(N(C)CCN2CCOCC2)n1Cc1ccnc(OC2CCOCC2)c1 ZINC001291457999 1064024965 /nfs/dbraw/zinc/02/49/65/1064024965.db2.gz XOSPMBCYSUYMRB-IBGZPJMESA-N 0 0 458.607 2.561 20 0 JFADRN CC[C@@H](C)c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F ZINC001291461606 1064026328 /nfs/dbraw/zinc/02/63/28/1064026328.db2.gz QFHCZVFHVLTSCW-ZBFHGGJFSA-N 0 0 457.547 2.892 20 0 JFADRN CC[C@@H](C)c1nnc(N(Cc2ccco2)C[C@H]2CCCO2)n1CCN1CCN(C(C)=O)CC1 ZINC001291465343 1064027482 /nfs/dbraw/zinc/02/74/82/1064027482.db2.gz KFJPYSGVWDPYRZ-DENIHFKCSA-N 0 0 458.607 2.734 20 0 JFADRN 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NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001292079225 1064761896 /nfs/dbraw/zinc/76/18/96/1064761896.db2.gz BHIXDRUXSCQGKK-FUDKSRODSA-N 0 0 453.539 2.831 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1Cc1ccc(C)n(C)c1=O ZINC001292081730 1064763969 /nfs/dbraw/zinc/76/39/69/1064763969.db2.gz ADJMOKPCFYPXAU-OAHLLOKOSA-N 0 0 450.534 2.733 20 0 JFADRN COc1ccc(-n2ccc(CNC(=O)c3cc4c(cc3Br)NC(=O)CO4)n2)cc1 ZINC001292082043 1064764835 /nfs/dbraw/zinc/76/48/35/1064764835.db2.gz BWBITFMGQPPKHW-UHFFFAOYSA-N 0 0 457.284 2.904 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1Cc1c(F)cccc1N1CCCC1 ZINC001292082575 1064765144 /nfs/dbraw/zinc/76/51/44/1064765144.db2.gz DDXDISLTQQDHGZ-KRWDZBQOSA-N 0 0 485.608 2.686 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1Cc1nc2cc(OC)ccc2n1C ZINC001292083419 1064765796 /nfs/dbraw/zinc/76/57/96/1064765796.db2.gz FZKZNULSJRYCMD-INIZCTEOSA-N 0 0 497.600 2.530 20 0 JFADRN 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ZEOYXSIMFRIMAO-QGZVFWFLSA-N 0 0 456.595 2.512 20 0 JFADRN CCc1nnc(Cn2c(C(=O)NC(C)C)nnc2N(C)CC(=O)Nc2c(C)cccc2C)s1 ZINC001292782219 1065541954 /nfs/dbraw/zinc/54/19/54/1065541954.db2.gz AYLMOBFCZHTXDX-UHFFFAOYSA-N 0 0 470.603 2.570 20 0 JFADRN CCc1nn(C)c(OC)c1Cn1c(N(C)CC2CCOCC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001292782454 1065542344 /nfs/dbraw/zinc/54/23/44/1065542344.db2.gz DXHGZLATPPASQG-DEOSSOPVSA-N 0 0 476.622 2.534 20 0 JFADRN CCc1nn(C)c(OC)c1Cn1c(N(C)CC2CCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001292782455 1065542427 /nfs/dbraw/zinc/54/24/27/1065542427.db2.gz DXHGZLATPPASQG-XMMPIXPASA-N 0 0 476.622 2.534 20 0 JFADRN CCc1nnc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC001292782500 1065542801 /nfs/dbraw/zinc/54/28/01/1065542801.db2.gz FWPWWXHMYQNQMN-HUUCEWRRSA-N 0 0 492.650 2.618 20 0 JFADRN CCc1nn(C)c(OC)c1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 ZINC001292782743 1065542930 /nfs/dbraw/zinc/54/29/30/1065542930.db2.gz HXGHFYRKCOXFBQ-SFHVURJKSA-N 0 0 475.594 2.540 20 0 JFADRN CCc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(Cc2cccc(F)c2)C(C)C)s1 ZINC001292785525 1065546935 /nfs/dbraw/zinc/54/69/35/1065546935.db2.gz HTYJUZHHXNPMAR-AWEZNQCLSA-N 0 0 481.623 2.905 20 0 JFADRN CCc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(CC)Cc2ccccc2F)s1 ZINC001292785186 1065547046 /nfs/dbraw/zinc/54/70/46/1065547046.db2.gz HBKOEVFVFLUWRG-ZDUSSCGKSA-N 0 0 467.596 2.516 20 0 JFADRN CCc1nnc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)s1 ZINC001292785585 1065547407 /nfs/dbraw/zinc/54/74/07/1065547407.db2.gz MHLMACQQEWCAPY-CQSZACIVSA-N 0 0 476.628 2.815 20 0 JFADRN CCc1nnc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@H](C)OC(C)(C)C2)s1 ZINC001292785581 1065547523 /nfs/dbraw/zinc/54/75/23/1065547523.db2.gz MHLMACQQEWCAPY-AWEZNQCLSA-N 0 0 476.628 2.815 20 0 JFADRN CCc1nnc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H](C)CC(N)=O)s1 ZINC001292786594 1065549175 /nfs/dbraw/zinc/54/91/75/1065549175.db2.gz VFPGFFKGKNVSIL-NSHDSACASA-N 0 0 451.503 2.709 20 0 JFADRN CCc1nnc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)s1 ZINC001292786945 1065549961 /nfs/dbraw/zinc/54/99/61/1065549961.db2.gz OWBLTSMGSRVSKV-INIZCTEOSA-N 0 0 498.613 2.886 20 0 JFADRN CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC001292789769 1065550459 /nfs/dbraw/zinc/55/04/59/1065550459.db2.gz ZHYQNNCKSBFZPI-QGZVFWFLSA-N 0 0 455.378 2.739 20 0 JFADRN Cc1occc1-c1cc(NC(=O)c2ccc(I)cc2N)n(CCO)n1 ZINC001292789471 1065550473 /nfs/dbraw/zinc/55/04/73/1065550473.db2.gz VESPSMBTQJRCMI-UHFFFAOYSA-N 0 0 452.252 2.883 20 0 JFADRN CCc1nnc(Cn2c(-c3ccccc3F)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)s1 ZINC001292790307 1065551019 /nfs/dbraw/zinc/55/10/19/1065551019.db2.gz BTHSCCOCLDQOGK-CQSZACIVSA-N 0 0 464.592 2.950 20 0 JFADRN CCc1nnc(Cn2c(-c3ccccc3Br)nnc2N2CC(=O)N(C)[C@@H](C)C2)s1 ZINC001292790265 1065551035 /nfs/dbraw/zinc/55/10/35/1065551035.db2.gz AWCXMQSPCKJMKU-LBPRGKRZSA-N 0 0 476.404 2.837 20 0 JFADRN CCc1nnc(Cn2c(-c3ccccc3OC)nnc2N2CCN(CC(C)C)C(=O)C2)s1 ZINC001292790435 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BVTWOQJAMJBWFN-INIZCTEOSA-N 0 0 462.624 2.566 20 0 JFADRN CCc1nnc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cc(Cl)ccc2OC)s1 ZINC001292792172 1065553423 /nfs/dbraw/zinc/55/34/23/1065553423.db2.gz RLHSPVMVXURFSY-AWEZNQCLSA-N 0 0 461.979 2.990 20 0 JFADRN CCc1nnc(Cn2c([C@H]3CCCOC3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)s1 ZINC001292795379 1065555734 /nfs/dbraw/zinc/55/57/34/1065555734.db2.gz DHVJHCYLXVRADO-KBPBESRZSA-N 0 0 459.542 2.707 20 0 JFADRN CCc1nnc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(C(=O)C(C)C)CC2)s1 ZINC001292795887 1065556238 /nfs/dbraw/zinc/55/62/38/1065556238.db2.gz JMKWDKGRWIQCQZ-UHFFFAOYSA-N 0 0 457.579 2.775 20 0 JFADRN CCc1nnc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)s1 ZINC001292796110 1065556529 /nfs/dbraw/zinc/55/65/29/1065556529.db2.gz NBUZIGYLPBQNKW-HNNXBMFYSA-N 0 0 471.635 2.727 20 0 JFADRN CCc1nnc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(OC(F)F)cc2)s1 ZINC001292796072 1065556590 /nfs/dbraw/zinc/55/65/90/1065556590.db2.gz LYOUGHPIQULRTQ-CQSZACIVSA-N 0 0 498.581 2.880 20 0 JFADRN CCc1nnc(Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)s1 ZINC001292796156 1065556605 /nfs/dbraw/zinc/55/66/05/1065556605.db2.gz OBKCENLVJWZCQU-GJZGRUSLSA-N 0 0 463.608 2.690 20 0 JFADRN CCc1nnc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)s1 ZINC001292797128 1065557435 /nfs/dbraw/zinc/55/74/35/1065557435.db2.gz XOQBUDXYJFAYJR-KBPBESRZSA-N 0 0 459.542 2.707 20 0 JFADRN CCc1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1CCN(C)C(=O)OC(C)(C)C ZINC001292802616 1065560427 /nfs/dbraw/zinc/56/04/27/1065560427.db2.gz OFVOSQSMTQUJDG-OAHLLOKOSA-N 0 0 466.608 2.552 20 0 JFADRN C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4ccn(CC(F)(F)F)n4)CC3)cc2NC1=O ZINC001292804395 1065561834 /nfs/dbraw/zinc/56/18/34/1065561834.db2.gz APYLSWGUCMUTAY-LBPRGKRZSA-N 0 0 450.417 2.900 20 0 JFADRN CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)C1 ZINC001292806076 1065561908 /nfs/dbraw/zinc/56/19/08/1065561908.db2.gz ROGSLAMINFZDAM-LJQANCHMSA-N 0 0 455.515 2.978 20 0 JFADRN 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CC(C)c1[nH]nc(C(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)c1Br ZINC001293826759 1066334012 /nfs/dbraw/zinc/33/40/12/1066334012.db2.gz NNSFUGGIOWXCDR-NSHDSACASA-N 0 0 456.366 2.981 20 0 JFADRN C[C@H](C(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001293826365 1066334128 /nfs/dbraw/zinc/33/41/28/1066334128.db2.gz GDQMJEKKGJMXGF-CJNGLKHVSA-N 0 0 452.577 2.847 20 0 JFADRN O=C(NCCCOC[C@@H]1CCOC1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001293830630 1066334661 /nfs/dbraw/zinc/33/46/61/1066334661.db2.gz IWCQASUTPVGYTG-HNNXBMFYSA-N 0 0 454.495 2.939 20 0 JFADRN Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c1C ZINC001293831032 1066335065 /nfs/dbraw/zinc/33/50/65/1066335065.db2.gz LQSOYOBOQZRLOP-FQEVSTJZSA-N 0 0 457.552 2.519 20 0 JFADRN CCC[C@@](C)(O)Cn1c(Cc2ccccc2F)nnc1N1CCCN(Cc2noc(C)n2)CC1 ZINC001293832596 1066335627 /nfs/dbraw/zinc/33/56/27/1066335627.db2.gz RARJTEPWXMTGFJ-XMMPIXPASA-N 0 0 471.581 2.963 20 0 JFADRN CCC[C@@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 ZINC001293833031 1066336412 /nfs/dbraw/zinc/33/64/12/1066336412.db2.gz UHMWMEPBEDVZEF-RUZDIDTESA-N 0 0 498.031 2.894 20 0 JFADRN CCC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC001293833030 1066336449 /nfs/dbraw/zinc/33/64/49/1066336449.db2.gz UGHCTWQIRVDMBW-MHZLTWQESA-N 0 0 492.624 2.715 20 0 JFADRN CCC[C@](C)(O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001293833617 1066337506 /nfs/dbraw/zinc/33/75/06/1066337506.db2.gz FHWKXCHBJDGUKF-VGSWGCGISA-N 0 0 492.418 2.982 20 0 JFADRN CCC[C@](C)(O)Cn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001293833591 1066337615 /nfs/dbraw/zinc/33/76/15/1066337615.db2.gz DPIJHULRNRNXCJ-ZEQRLZLVSA-N 0 0 473.574 2.838 20 0 JFADRN CCC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001293833990 1066338316 /nfs/dbraw/zinc/33/83/16/1066338316.db2.gz GNUTWTWQARNJKX-DEOSSOPVSA-N 0 0 489.020 2.567 20 0 JFADRN CCC[C@@](C)(O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001293834053 1066338593 /nfs/dbraw/zinc/33/85/93/1066338593.db2.gz GUINYNMMPTWJFJ-SIKLNZKXSA-N 0 0 450.605 2.648 20 0 JFADRN CCC[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 ZINC001293834991 1066339370 /nfs/dbraw/zinc/33/93/70/1066339370.db2.gz JJMAKZQRAHVTAR-PGRDOPGGSA-N 0 0 460.510 2.817 20 0 JFADRN CCC[C@](C)(O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001293836279 1066340509 /nfs/dbraw/zinc/34/05/09/1066340509.db2.gz OIPPQVLUYLALHS-RDPSFJRHSA-N 0 0 491.658 2.721 20 0 JFADRN CCC[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001293836324 1066340540 /nfs/dbraw/zinc/34/05/40/1066340540.db2.gz PAWPPMMFLMGNBY-JOCHJYFZSA-N 0 0 465.620 2.656 20 0 JFADRN CCC[C@](C)(O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001293836888 1066341440 /nfs/dbraw/zinc/34/14/40/1066341440.db2.gz QTXNSPVAQCUKBP-QHCPKHFHSA-N 0 0 464.632 2.941 20 0 JFADRN CCC[C@](C)(O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001293836899 1066341497 /nfs/dbraw/zinc/34/14/97/1066341497.db2.gz QXXKDRAWTIVMJL-DKLXNKCPSA-N 0 0 460.575 2.801 20 0 JFADRN CCC[C@](C)(O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001293837419 1066342522 /nfs/dbraw/zinc/34/25/22/1066342522.db2.gz PYNOHTLXZOEDLK-VWLOTQADSA-N 0 0 467.618 2.809 20 0 JFADRN CCC[C@@](C)(O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001293838785 1066343486 /nfs/dbraw/zinc/34/34/86/1066343486.db2.gz YNPNMNMUEDELBS-NTKDMRAZSA-N 0 0 488.658 2.598 20 0 JFADRN CCC[C@@](C)(O)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001293839601 1066343758 /nfs/dbraw/zinc/34/37/58/1066343758.db2.gz ZZEUFCMVFMWIBO-HHJKRLRDSA-N 0 0 471.602 2.769 20 0 JFADRN COC(=O)Nc1ccc(CCNC(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)cc1 ZINC001293839295 1066343806 /nfs/dbraw/zinc/34/38/06/1066343806.db2.gz VGRNAAWQKOPBFW-UHFFFAOYSA-N 0 0 451.458 2.697 20 0 JFADRN CCC[C@@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001293843177 1066344697 /nfs/dbraw/zinc/34/46/97/1066344697.db2.gz DDKMCPVNBKMXEH-IUKKYPGJSA-N 0 0 499.678 2.915 20 0 JFADRN CCC[C@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001293843178 1066344752 /nfs/dbraw/zinc/34/47/52/1066344752.db2.gz DDKMCPVNBKMXEH-STSQHVNTSA-N 0 0 499.678 2.915 20 0 JFADRN CCC[C@](C)(O)Cn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001293843793 1066345293 /nfs/dbraw/zinc/34/52/93/1066345293.db2.gz JYCBLGGNSUFXPG-BJKOFHAPSA-N 0 0 465.639 2.565 20 0 JFADRN CCC[C@](C)(O)Cn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1C1(c2ccccc2)CCC1 ZINC001293843988 1066345647 /nfs/dbraw/zinc/34/56/47/1066345647.db2.gz NHIDZGHLABUCBY-REWPJTCUSA-N 0 0 475.659 2.817 20 0 JFADRN CCC[C@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001293844117 1066345946 /nfs/dbraw/zinc/34/59/46/1066345946.db2.gz PLDOGBMFQGCPOY-QQMNAOGKSA-N 0 0 464.611 2.568 20 0 JFADRN CCC[C@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001293844115 1066345992 /nfs/dbraw/zinc/34/59/92/1066345992.db2.gz PLDOGBMFQGCPOY-DGGJZMOXSA-N 0 0 464.611 2.568 20 0 JFADRN CCC[C@](C)(O)Cn1c(N2CCC[C@@H](n3nc(C)nc3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001293844173 1066346130 /nfs/dbraw/zinc/34/61/30/1066346130.db2.gz QRZMUOHCIJLDNE-FGCOXFRFSA-N 0 0 475.638 2.920 20 0 JFADRN CCC[C@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001293844390 1066347298 /nfs/dbraw/zinc/34/72/98/1066347298.db2.gz UFKKABSWEPCTDF-NWVWQQAFSA-N 0 0 479.622 2.897 20 0 JFADRN CCC[C@](C)(O)Cn1c(N2CCC(Nc3cccnn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001293844575 1066347621 /nfs/dbraw/zinc/34/76/21/1066347621.db2.gz XCLDBECIAVIORC-ZEQRLZLVSA-N 0 0 473.622 2.741 20 0 JFADRN O=C(NCC1(c2ccccc2Br)CC1)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001293845984 1066348635 /nfs/dbraw/zinc/34/86/35/1066348635.db2.gz VWNNUJCUMVJJIH-KRWDZBQOSA-N 0 0 459.344 2.787 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 ZINC001293846421 1066349035 /nfs/dbraw/zinc/34/90/35/1066349035.db2.gz FRAGXIDYVXRXAG-RYLXDESZSA-N 0 0 486.592 2.824 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001293849183 1066352074 /nfs/dbraw/zinc/35/20/74/1066352074.db2.gz FXRIHKIIQLFDQO-KDOFPFPSSA-N 0 0 483.491 2.994 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C)o2)nnc1N1CCC(Cn2ccnn2)CC1 ZINC001293849483 1066352665 /nfs/dbraw/zinc/35/26/65/1066352665.db2.gz BRFYWUQHERGFDR-QGZVFWFLSA-N 0 0 454.579 2.907 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H]1CC ZINC001293849422 1066352953 /nfs/dbraw/zinc/35/29/53/1066352953.db2.gz HBYFGILCISEHIO-MJGOQNOKSA-N 0 0 451.579 2.852 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001293849800 1066354120 /nfs/dbraw/zinc/35/41/20/1066354120.db2.gz KEIAPNKRDPSXQO-INIZCTEOSA-N 0 0 496.534 2.911 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001293849864 1066354381 /nfs/dbraw/zinc/35/43/81/1066354381.db2.gz LNLONGQLTZKCKZ-IBGZPJMESA-N 0 0 482.629 2.955 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001293850046 1066354871 /nfs/dbraw/zinc/35/48/71/1066354871.db2.gz MQZVVFYPIXQKLN-HNNXBMFYSA-N 0 0 464.014 2.897 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001293850055 1066354901 /nfs/dbraw/zinc/35/49/01/1066354901.db2.gz MWMUBDKZONDUJW-ROUUACIJSA-N 0 0 472.590 2.783 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001293850445 1066355889 /nfs/dbraw/zinc/35/58/89/1066355889.db2.gz PPIRNVLNEOHRHI-SJORKVTESA-N 0 0 486.573 2.503 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(CC)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001293850481 1066356052 /nfs/dbraw/zinc/35/60/52/1066356052.db2.gz QKDMVCFGWYYBEG-YLJYHZDGSA-N 0 0 461.632 2.683 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001293850694 1066356631 /nfs/dbraw/zinc/35/66/31/1066356631.db2.gz SHZXONLLFVCACR-AOMKIAJQSA-N 0 0 462.982 2.542 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2cccc3cccnc32)nnc1N1CCN(C(C)=O)CC1 ZINC001293850822 1066356910 /nfs/dbraw/zinc/35/69/10/1066356910.db2.gz UGMLEARJAVKCNL-GOSISDBHSA-N 0 0 463.586 2.714 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001293851201 1066357002 /nfs/dbraw/zinc/35/70/02/1066357002.db2.gz URRMLPXAXHGRGQ-KURKYZTESA-N 0 0 457.575 2.882 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2cccc3cccnc32)nnc1N1CCN(C(C)=O)CC1 ZINC001293850823 1066357060 /nfs/dbraw/zinc/35/70/60/1066357060.db2.gz UGMLEARJAVKCNL-SFHVURJKSA-N 0 0 463.586 2.714 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001293851913 1066357571 /nfs/dbraw/zinc/35/75/71/1066357571.db2.gz WSSIWDLRQYGVGN-MIZPHKNDSA-N 0 0 484.645 2.663 20 0 JFADRN 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/nfs/dbraw/zinc/50/37/05/1061503705.db2.gz QDEZASCTKSHYJV-LJQANCHMSA-N 0 0 478.638 2.660 20 0 JFADRN CC(=O)NC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCOC(F)(F)F)CC1 ZINC001286917924 1061504252 /nfs/dbraw/zinc/50/42/52/1061504252.db2.gz CCAPNRJEYZKETN-UHFFFAOYSA-N 0 0 455.437 2.705 20 0 JFADRN CC(=O)NC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(C)COC2)CC1 ZINC001286917954 1061504695 /nfs/dbraw/zinc/50/46/95/1061504695.db2.gz XWOIRNCAYHPTKT-UHFFFAOYSA-N 0 0 476.622 2.534 20 0 JFADRN CC(=O)NC1CCN(c2nnc(-c3ccccc3C)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 ZINC001286918342 1061505608 /nfs/dbraw/zinc/50/56/08/1061505608.db2.gz LJQZBOYHHMDMEF-UHFFFAOYSA-N 0 0 484.601 2.652 20 0 JFADRN CC(=O)NC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 ZINC001286918448 1061505693 /nfs/dbraw/zinc/50/56/93/1061505693.db2.gz FDSXLUWOQXBKBI-HSZRJFAPSA-N 0 0 489.064 2.984 20 0 JFADRN COc1cc([C@@H](C)NC(=O)c2cc(Br)cn3ccnc23)ccc1S(C)(=O)=O ZINC001289829606 1061505621 /nfs/dbraw/zinc/50/56/21/1061505621.db2.gz KKHVBDYAXXKFDA-LLVKDONJSA-N 0 0 452.330 3.000 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCN2CCOC[C@H]2C)cc1C ZINC001289828986 1061505770 /nfs/dbraw/zinc/50/57/70/1061505770.db2.gz RMLWBRJUQFRYQJ-QUCCMNQESA-N 0 0 483.535 2.962 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2Cc2nccc(C(F)F)n2)cc1C ZINC001289830189 1061506228 /nfs/dbraw/zinc/50/62/28/1061506228.db2.gz XWWORRYOCIYUEZ-UHFFFAOYSA-N 0 0 457.485 2.576 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCO[C@H](c4noc(C(C)C)n4)C3)n2CC(=O)NC(C)C)cc1 ZINC001289831445 1061507387 /nfs/dbraw/zinc/50/73/87/1061507387.db2.gz IWOQDQVEAIXFOY-IBGZPJMESA-N 0 0 483.573 2.774 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCO[C@@]4(CCO[C@H]4C)C3)n2CCNC(=O)C(C)C)cc1C ZINC001289831647 1061507468 /nfs/dbraw/zinc/50/74/68/1061507468.db2.gz LMFRQGVVNCNMSE-CPJSRVTESA-N 0 0 471.602 2.630 20 0 JFADRN CC(=O)NC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCC(=O)N(C)C)CC1 ZINC001286919007 1061508277 /nfs/dbraw/zinc/50/82/77/1061508277.db2.gz WPACJCMGNLEMFP-UHFFFAOYSA-N 0 0 491.434 2.989 20 0 JFADRN CC(=O)NC1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001286919550 1061510251 /nfs/dbraw/zinc/51/02/51/1061510251.db2.gz LAZFPTTZSBDOLE-LJQANCHMSA-N 0 0 471.606 2.788 20 0 JFADRN CC(=O)NC1CCN(c2nnc(Cc3ccccc3F)n2CCCOC[C@H]2CCOC2)CC1 ZINC001286919498 1061510361 /nfs/dbraw/zinc/51/03/61/1061510361.db2.gz SLQSREWQBOSPLI-LJQANCHMSA-N 0 0 459.566 2.556 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2CCNC(=O)c2ccn[nH]2)cc1 ZINC001289834177 1061510727 /nfs/dbraw/zinc/51/07/27/1061510727.db2.gz SNNDRMORXRXIIA-FQEVSTJZSA-N 0 0 469.615 2.896 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCCCOC(C)C)cc1C ZINC001289834227 1061510768 /nfs/dbraw/zinc/51/07/68/1061510768.db2.gz URNXSUYABCZBBE-UHFFFAOYSA-N 0 0 450.605 2.914 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCO2)C1 ZINC001286920943 1061514795 /nfs/dbraw/zinc/51/47/95/1061514795.db2.gz GDGGGCJUROATPC-GDBMZVCRSA-N 0 0 451.369 2.567 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC2(O)CCOCC2)C1 ZINC001286921095 1061515741 /nfs/dbraw/zinc/51/57/41/1061515741.db2.gz ILBGXOBUBYASDK-QUCCMNQESA-N 0 0 489.592 2.841 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CCOC(C)C)C1 ZINC001286921163 1061515810 /nfs/dbraw/zinc/51/58/10/1061515810.db2.gz JOXDCTZTVMAWNT-INIZCTEOSA-N 0 0 467.412 2.824 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CCOC(C)C)C1 ZINC001286921164 1061515827 /nfs/dbraw/zinc/51/58/27/1061515827.db2.gz JOXDCTZTVMAWNT-MRXNPFEDSA-N 0 0 467.412 2.824 20 0 JFADRN Cc1ccc(OCCCn2c(-c3ccc[nH]3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1 ZINC001289840951 1061515973 /nfs/dbraw/zinc/51/59/73/1061515973.db2.gz JUZYXNFXHXODCX-UHFFFAOYSA-N 0 0 465.602 2.697 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)c2ccc(F)cc2)C1 ZINC001286921441 1061517277 /nfs/dbraw/zinc/51/72/77/1061517277.db2.gz DQDDCOUYTHDQQO-MJGOQNOKSA-N 0 0 456.566 2.809 20 0 JFADRN CC(=O)NC1CCN(c2nnc(COc3ccccc3F)n2CCc2nnc(C)s2)CC1 ZINC001286921650 1061518304 /nfs/dbraw/zinc/51/83/04/1061518304.db2.gz IGTGQQCNMVOVID-UHFFFAOYSA-N 0 0 459.551 2.504 20 0 JFADRN Cc1ccc(OCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)CC2COC(C)(C)OC2)cc1 ZINC001289843384 1061518733 /nfs/dbraw/zinc/51/87/33/1061518733.db2.gz XYNVBBFZTIMYNY-HXUWFJFHSA-N 0 0 457.575 2.842 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCSc2ccccc2)C1 ZINC001286921859 1061519355 /nfs/dbraw/zinc/51/93/55/1061519355.db2.gz LTVMIIXQGGXEQI-IBGZPJMESA-N 0 0 456.616 2.659 20 0 JFADRN Cc1ccc(OCCN(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCCS2(=O)=O)cc1 ZINC001289846103 1061519759 /nfs/dbraw/zinc/51/97/59/1061519759.db2.gz KJPRHHWKRTYJLY-PZJWPPBQSA-N 0 0 462.616 2.963 20 0 JFADRN Cc1ccc(OCCN(C)c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2ccn[nH]2)cc1 ZINC001289845732 1061519845 /nfs/dbraw/zinc/51/98/45/1061519845.db2.gz HXPCKCILXKFBAO-UHFFFAOYSA-N 0 0 480.960 2.970 20 0 JFADRN CC(=O)NC1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCCCCC2=O)CC1 ZINC001286922170 1061520749 /nfs/dbraw/zinc/52/07/49/1061520749.db2.gz RLZGSXBMLLFTOZ-UHFFFAOYSA-N 0 0 486.592 2.894 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(F)cc2)C1 ZINC001286922363 1061521808 /nfs/dbraw/zinc/52/18/08/1061521808.db2.gz SWCAVMDAJSRUCD-GBXCKJPGSA-N 0 0 459.566 2.859 20 0 JFADRN Cc1ccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2CCOc2ccc(C)cc2)o1 ZINC001289849749 1061522272 /nfs/dbraw/zinc/52/22/72/1061522272.db2.gz OQUMARQFNQHDQP-UHFFFAOYSA-N 0 0 466.586 2.881 20 0 JFADRN Cc1ccc(OCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)cc1 ZINC001289848968 1061522441 /nfs/dbraw/zinc/52/24/41/1061522441.db2.gz JKXOXOPCDWJTCW-QGZVFWFLSA-N 0 0 465.476 2.964 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOCC(F)F)C1 ZINC001286922407 1061522429 /nfs/dbraw/zinc/52/24/29/1061522429.db2.gz VLZUBOGFMAHAIQ-SFHVURJKSA-N 0 0 478.544 2.781 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(C)coc2C)C1 ZINC001286922514 1061522723 /nfs/dbraw/zinc/52/27/23/1061522723.db2.gz VCSOWJSGURRPAN-GBXCKJPGSA-N 0 0 459.591 2.929 20 0 JFADRN Cc1csc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCOc2ccc(C)cc2)n1 ZINC001289850074 1061522729 /nfs/dbraw/zinc/52/27/29/1061522729.db2.gz VKGSFDAROROLGQ-QGZVFWFLSA-N 0 0 461.613 2.817 20 0 JFADRN Cc1ccc(OCCn2c(N3CCC[C@H](S(C)(=O)=O)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001289854623 1061525080 /nfs/dbraw/zinc/52/50/80/1061525080.db2.gz FSISKYBNXDDALI-URXFXBBRSA-N 0 0 492.642 2.720 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(-c3ccccn3)n2C[C@@H]2CCOC[C@@H]2C)cc1 ZINC001289854685 1061525575 /nfs/dbraw/zinc/52/55/75/1061525575.db2.gz HOBQTKCJINBPDS-PMACEKPBSA-N 0 0 484.626 2.736 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@@H]2C)cc1 ZINC001289854750 1061526206 /nfs/dbraw/zinc/52/62/06/1061526206.db2.gz JSYRBCONGSFXGH-RBUKOAKNSA-N 0 0 476.647 2.576 20 0 JFADRN Cc1ccc(-c2nnc(N(C)CCNS(=O)(=O)c3ccc(C)cc3)n2CCC(C)(C)O)o1 ZINC001289855052 1061526648 /nfs/dbraw/zinc/52/66/48/1061526648.db2.gz UHJLLKCTXPVWHK-UHFFFAOYSA-N 0 0 461.588 2.731 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccc3F)n2Cc2ccc(NC(C)=O)nc2)C1 ZINC001286923474 1061526755 /nfs/dbraw/zinc/52/67/55/1061526755.db2.gz MBNXHVZRDGMQBW-GOSISDBHSA-N 0 0 465.533 2.838 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cn(C)c4ccccc34)n2CCNC(=O)C(C)(C)C)C1 ZINC001286923598 1061526834 /nfs/dbraw/zinc/52/68/34/1061526834.db2.gz NXYRAVRJZXRANO-IBGZPJMESA-N 0 0 479.629 2.952 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCC(F)F)C1 ZINC001286923764 1061527060 /nfs/dbraw/zinc/52/70/60/1061527060.db2.gz RQGWVCCJWPHMGH-GOSISDBHSA-N 0 0 473.528 2.765 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCC(F)F)C1 ZINC001286923765 1061527199 /nfs/dbraw/zinc/52/71/99/1061527199.db2.gz RQGWVCCJWPHMGH-SFHVURJKSA-N 0 0 473.528 2.765 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@H]3CCCO3)n2C[C@H]2CC[C@H](F)C2)cc1 ZINC001289855303 1061527694 /nfs/dbraw/zinc/52/76/94/1061527694.db2.gz BFURFVVTDKROBZ-CMKODMSKSA-N 0 0 465.595 2.991 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(CC3CC3)n2C[C@]2(O)CCCC2(C)C)cc1 ZINC001289855237 1061527766 /nfs/dbraw/zinc/52/77/66/1061527766.db2.gz ACBIYPZSBMGKMD-XMMPIXPASA-N 0 0 475.659 2.895 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccnc3)n2CCCNC(=O)OC(C)(C)C)C1 ZINC001286924112 1061529470 /nfs/dbraw/zinc/52/94/70/1061529470.db2.gz VYTYXYJZDWWFDT-GOSISDBHSA-N 0 0 457.579 2.607 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(CC(C)C)nnc2N2CCC[C@H](c3ccnn3C)C2)s1 ZINC001289855425 1061529377 /nfs/dbraw/zinc/52/93/77/1061529377.db2.gz CTVUSJQKVOGKAV-SFHVURJKSA-N 0 0 491.687 2.943 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)c2cccc(C)c2)C1 ZINC001286924373 1061529964 /nfs/dbraw/zinc/52/99/64/1061529964.db2.gz YQAPFUOBPGVCKI-OAQYLSRUSA-N 0 0 475.597 2.739 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(-c3cc(F)ccc3Br)n2CCC(=O)N(C)C)C1 ZINC001286924422 1061530522 /nfs/dbraw/zinc/53/05/22/1061530522.db2.gz GWGAFIRWRKXDIC-OAHLLOKOSA-N 0 0 495.397 2.678 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 ZINC001286924656 1061531652 /nfs/dbraw/zinc/53/16/52/1061531652.db2.gz ALDYNAKBUVBMKP-FQEVSTJZSA-N 0 0 473.643 2.934 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001286924751 1061532090 /nfs/dbraw/zinc/53/20/90/1061532090.db2.gz BDLWPICBYIFLNC-UXHICEINSA-N 0 0 460.623 2.521 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccccn3)nnc2N(C)CC2CC(F)C2)s1 ZINC001289855907 1061532506 /nfs/dbraw/zinc/53/25/06/1061532506.db2.gz KPXRVCLVGAGYLC-UHFFFAOYSA-N 0 0 478.619 2.797 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCCO2)C1 ZINC001286924972 1061532608 /nfs/dbraw/zinc/53/26/08/1061532608.db2.gz CGJFQPBFSIDDIU-TZIWHRDSSA-N 0 0 490.649 2.924 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C3CCC3)n2CCc2nccs2)cc1 ZINC001289856060 1061533083 /nfs/dbraw/zinc/53/30/83/1061533083.db2.gz LZWSALSPUSBJDB-UHFFFAOYSA-N 0 0 460.629 2.968 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001286925011 1061533077 /nfs/dbraw/zinc/53/30/77/1061533077.db2.gz CPMXNYODCJEPAP-WMZOPIPTSA-N 0 0 480.491 2.529 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001286925142 1061533678 /nfs/dbraw/zinc/53/36/78/1061533678.db2.gz FHQKRKRZQBJUQP-RUZDIDTESA-N 0 0 483.617 2.609 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(CC(C)(C)C)n2C[C@H]2CC=CCO2)cc1 ZINC001289856301 1061534111 /nfs/dbraw/zinc/53/41/11/1061534111.db2.gz PJHSFCYUPCQQHR-LJQANCHMSA-N 0 0 461.632 2.935 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCCO3)nnc2N(C)Cc2ccoc2)s1 ZINC001289856362 1061534933 /nfs/dbraw/zinc/53/49/33/1061534933.db2.gz RJIDSFRTQYNLAP-MRXNPFEDSA-N 0 0 451.574 2.707 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCOC[C@@H]2C)cc1 ZINC001289856371 1061535028 /nfs/dbraw/zinc/53/50/28/1061535028.db2.gz QYWYWXBTQLRSGC-VWPQPMDRSA-N 0 0 491.658 2.915 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2Cc2nccn2C(F)F)C1 ZINC001286925561 1061534942 /nfs/dbraw/zinc/53/49/42/1061534942.db2.gz JQSCKEFRPDOSSY-MRXNPFEDSA-N 0 0 477.491 2.989 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(C(=O)NC(C)C)nnc2N(C)C2CCCCC2)s1 ZINC001289856402 1061535050 /nfs/dbraw/zinc/53/50/50/1061535050.db2.gz RWILSJHLCAHNHM-UHFFFAOYSA-N 0 0 468.649 2.534 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001289856401 1061535069 /nfs/dbraw/zinc/53/50/69/1061535069.db2.gz RWEMJFACEVMDPD-OKILXGFUSA-N 0 0 497.046 2.956 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(C)nnc2N2CCCO[C@@H](c3ccccc3)C2)s1 ZINC001289856421 1061535478 /nfs/dbraw/zinc/53/54/78/1061535478.db2.gz SDXPPPBFOWBCEK-LJQANCHMSA-N 0 0 461.613 2.903 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(Cc3ccccn3)n2C[C@H]2OCCC2(C)C)cc1 ZINC001289856555 1061535946 /nfs/dbraw/zinc/53/59/46/1061535946.db2.gz UBHMIWYWNKYHDN-JOCHJYFZSA-N 0 0 498.653 2.802 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccncc3)nnc2N2CC[C@H](C)[C@H]2C)s1 ZINC001289856529 1061536035 /nfs/dbraw/zinc/53/60/35/1061536035.db2.gz VCLMGSPENRBGRB-DOTOQJQBSA-N 0 0 460.629 2.847 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(CC3CC3)n2Cc2ccc(C)nc2)cc1 ZINC001289856561 1061536473 /nfs/dbraw/zinc/53/64/73/1061536473.db2.gz UDSUTCBQSFJVEC-UHFFFAOYSA-N 0 0 454.600 2.705 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCNC(=O)C(C)(C)C)C1 ZINC001286925916 1061536650 /nfs/dbraw/zinc/53/66/50/1061536650.db2.gz FXSAZZHURLBNOO-IBGZPJMESA-N 0 0 479.629 2.865 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3ccc[nH]3)nnc2N(C)CCC2CCOCC2)s1 ZINC001289856642 1061537058 /nfs/dbraw/zinc/53/70/58/1061537058.db2.gz VNBRSYSNWDEVFU-UHFFFAOYSA-N 0 0 478.644 2.875 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001286926035 1061537119 /nfs/dbraw/zinc/53/71/19/1061537119.db2.gz HVUFJUHNQNGSDA-OALUTQOASA-N 0 0 464.611 2.739 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@H]2CC[C@H](CO)O2)cc1 ZINC001289856690 1061537637 /nfs/dbraw/zinc/53/76/37/1061537637.db2.gz WNQLNUAJMXMDEV-CADBVGFASA-N 0 0 482.672 2.677 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001286926040 1061537792 /nfs/dbraw/zinc/53/77/92/1061537792.db2.gz HVUFJUHNQNGSDA-RTBURBONSA-N 0 0 464.611 2.739 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2sc(C)nc2C)C1 ZINC001286926371 1061538519 /nfs/dbraw/zinc/53/85/19/1061538519.db2.gz HAUFQQMQAJFRNG-LJQANCHMSA-N 0 0 456.620 2.614 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nccn2C(F)F)C1 ZINC001286926335 1061538530 /nfs/dbraw/zinc/53/85/30/1061538530.db2.gz OPIMRAWJZOFFKY-CQSZACIVSA-N 0 0 464.908 2.986 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nccn2C(F)F)C1 ZINC001286926334 1061538613 /nfs/dbraw/zinc/53/86/13/1061538613.db2.gz OPIMRAWJZOFFKY-AWEZNQCLSA-N 0 0 464.908 2.986 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)COCc2ccccc2)C1 ZINC001286926441 1061539527 /nfs/dbraw/zinc/53/95/27/1061539527.db2.gz JEXBSKDGMQNQMM-AJSBUHFISA-N 0 0 455.603 2.987 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC(C)(C)C)nc2)C1 ZINC001286926502 1061540173 /nfs/dbraw/zinc/54/01/73/1061540173.db2.gz JNNBMCJXIFORBH-UYAOXDASSA-N 0 0 456.591 2.755 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@H]2CCSC2)cc1 ZINC001289860702 1061541544 /nfs/dbraw/zinc/54/15/44/1061541544.db2.gz HUVASZRIMQKRQG-GOSISDBHSA-N 0 0 461.657 2.927 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CCN2CCSCC2)cc1 ZINC001289860789 1061541619 /nfs/dbraw/zinc/54/16/19/1061541619.db2.gz KDOBRGXYNPZHQY-GOSISDBHSA-N 0 0 483.729 2.797 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)cc1 ZINC001289860971 1061542583 /nfs/dbraw/zinc/54/25/83/1061542583.db2.gz OFZOJCQGALXOPO-OAHLLOKOSA-N 0 0 460.572 2.784 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001286927070 1061543470 /nfs/dbraw/zinc/54/34/70/1061543470.db2.gz QFAOFFXGUMIBQF-PMACEKPBSA-N 0 0 462.639 2.610 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)C[C@@H]3CCCOC3)n2CC(=O)N2CCOCC2)cc1 ZINC001289862645 1061545794 /nfs/dbraw/zinc/54/57/94/1061545794.db2.gz JUBWIJZYMGURKI-IBGZPJMESA-N 0 0 459.616 2.600 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)Cc3cnccn3)n2Cc2ccc(C(N)=O)nc2)cc1 ZINC001289863425 1061546332 /nfs/dbraw/zinc/54/63/32/1061546332.db2.gz VJOXSMUAJIEADH-UHFFFAOYSA-N 0 0 460.567 2.847 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)CCN3CCOC(C)(C)C3)n2CC(=O)NC(C)C)cc1 ZINC001289863347 1061546492 /nfs/dbraw/zinc/54/64/92/1061546492.db2.gz QHEXXTSQFWZWFQ-UHFFFAOYSA-N 0 0 474.675 2.950 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(F)cc2C)CC1 ZINC001286928139 1061547390 /nfs/dbraw/zinc/54/73/90/1061547390.db2.gz WDISBIJZOMZOAY-UHFFFAOYSA-N 0 0 479.560 2.968 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2COCCO2)C1 ZINC001286928114 1061547439 /nfs/dbraw/zinc/54/74/39/1061547439.db2.gz VXCVASUOGQRHQX-FUHWJXTLSA-N 0 0 498.411 2.932 20 0 JFADRN Cc1nn(C)c(C)c1Cn1c(CSc2ccc(C)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001289864151 1061547674 /nfs/dbraw/zinc/54/76/74/1061547674.db2.gz UXWXGZKAWQJLCA-INIZCTEOSA-N 0 0 453.616 2.944 20 0 JFADRN C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)C[C@@H]1NC(=O)C(F)(F)F ZINC001289866813 1061548324 /nfs/dbraw/zinc/54/83/24/1061548324.db2.gz PYNINLSVJUEYNG-INWMFGNUSA-N 0 0 479.421 2.969 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001286928963 1061550248 /nfs/dbraw/zinc/55/02/48/1061550248.db2.gz QWIVAMGMUQEXFL-CTNGQTDRSA-N 0 0 460.623 2.663 20 0 JFADRN Cc1ccc(SCc2nnc(N3C[C@H](C)O[C@@]4(CCOC4)C3)n2CC(=O)NCC(F)F)cc1 ZINC001289868273 1061550663 /nfs/dbraw/zinc/55/06/63/1061550663.db2.gz QDWNGMRANTZDPE-AOMKIAJQSA-N 0 0 481.569 2.644 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(C)(F)F)cc2)C1 ZINC001286929356 1061551270 /nfs/dbraw/zinc/55/12/70/1061551270.db2.gz SBINAUDLBVRPGQ-PKOBYXMFSA-N 0 0 460.529 2.742 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2Cc2nncn2C)cc1 ZINC001289869178 1061551687 /nfs/dbraw/zinc/55/16/87/1061551687.db2.gz BJSBNCNXJHAXRW-UHFFFAOYSA-N 0 0 468.631 2.750 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)N2CCOCC2)C1 ZINC001286929628 1061551853 /nfs/dbraw/zinc/55/18/53/1061551853.db2.gz PWGYZRYWGKQOSV-HSZRJFAPSA-N 0 0 498.672 2.937 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC(NC(=O)C4CC4)CC3)n2CCC(=O)N(C)C)cc1 ZINC001289869796 1061552691 /nfs/dbraw/zinc/55/26/91/1061552691.db2.gz LIQZUYYLHPLCSC-UHFFFAOYSA-N 0 0 470.643 2.852 20 0 JFADRN Cc1ccc(SCc2nnc(N3CC[C@H](N4CCCC4=O)C3)n2CC(=O)NC(C)C)cc1 ZINC001289869535 1061552813 /nfs/dbraw/zinc/55/28/13/1061552813.db2.gz HAMUARZECPYTOB-SFHVURJKSA-N 0 0 456.616 2.605 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2C[C@H]2CCOC2)cc1 ZINC001289870602 1061553766 /nfs/dbraw/zinc/55/37/66/1061553766.db2.gz SMPNWMSNLPJTBV-LJQANCHMSA-N 0 0 479.672 2.681 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC(OC(C)C)CC3)n2CCNS(C)(=O)=O)cc1 ZINC001289870746 1061554188 /nfs/dbraw/zinc/55/41/88/1061554188.db2.gz UUCWABGZTGVZAL-UHFFFAOYSA-N 0 0 467.661 2.822 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2CC(C)(C)O)cc1 ZINC001289871468 1061554643 /nfs/dbraw/zinc/55/46/43/1061554643.db2.gz YJGDCYMXWMIWGF-UHFFFAOYSA-N 0 0 467.661 2.510 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ncccc2N(C)C)C1 ZINC001286930553 1061555400 /nfs/dbraw/zinc/55/54/00/1061555400.db2.gz RRMVNYACJGRYIT-FQEVSTJZSA-N 0 0 465.577 2.870 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@]2(C)COCCO2)cc1 ZINC001289871554 1061555621 /nfs/dbraw/zinc/55/56/21/1061555621.db2.gz HISXRDOBCDICIC-SIKLNZKXSA-N 0 0 480.656 2.698 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCn2nc(C)cc2C)C1 ZINC001286930630 1061556000 /nfs/dbraw/zinc/55/60/00/1061556000.db2.gz RUWBXMVNAKUPCI-QFIPXVFZSA-N 0 0 450.591 2.520 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC[C@H](n4cncn4)C3)n2CCC(=O)N(C)C)cc1 ZINC001289872112 1061556145 /nfs/dbraw/zinc/55/61/45/1061556145.db2.gz NQYRTDVZCOPYTO-SFHVURJKSA-N 0 0 454.604 2.790 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCc2ccn(C)n2)cc1 ZINC001289872102 1061556191 /nfs/dbraw/zinc/55/61/91/1061556191.db2.gz NOTMMZDRNLUJOE-SFHVURJKSA-N 0 0 453.616 2.947 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001286930723 1061556418 /nfs/dbraw/zinc/55/64/18/1061556418.db2.gz TWZCPVDWVAIAMQ-NRFANRHFSA-N 0 0 475.659 2.629 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 ZINC001289872461 1061556531 /nfs/dbraw/zinc/55/65/31/1061556531.db2.gz VFNYUVSNIIELGB-HKUYNNGSSA-N 0 0 470.643 2.885 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC[C@@H](c4ccnn4C)C3)n2CCNS(C)(=O)=O)cc1 ZINC001289872512 1061556614 /nfs/dbraw/zinc/55/66/14/1061556614.db2.gz WDWHSYZRXOXNJR-GOSISDBHSA-N 0 0 489.671 2.546 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCCN(C)c2ccccc2F)C1 ZINC001286931275 1061557353 /nfs/dbraw/zinc/55/73/53/1061557353.db2.gz ZVOWTJVSFXONKU-VQTJNVASSA-N 0 0 458.582 2.800 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@H]2COCCO2)cc1 ZINC001289875323 1061557736 /nfs/dbraw/zinc/55/77/36/1061557736.db2.gz IOERAIQKOSTVDJ-FQEVSTJZSA-N 0 0 473.643 2.989 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 ZINC001286931688 1061557789 /nfs/dbraw/zinc/55/77/89/1061557789.db2.gz YKKJVBNLYORCEM-ICSRJNTNSA-N 0 0 473.021 2.790 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001286931687 1061557809 /nfs/dbraw/zinc/55/78/09/1061557809.db2.gz YKKJVBNLYORCEM-AZUAARDMSA-N 0 0 473.021 2.790 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001286931690 1061558302 /nfs/dbraw/zinc/55/83/02/1061558302.db2.gz YKKJVBNLYORCEM-UYAOXDASSA-N 0 0 473.021 2.790 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCc2cnn(C)c2)cc1 ZINC001289875706 1061558689 /nfs/dbraw/zinc/55/86/89/1061558689.db2.gz MORNFUQPRDIAQA-IBGZPJMESA-N 0 0 453.616 2.947 20 0 JFADRN CC(=O)NCC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccccc3C)C2)CC1 ZINC001286932205 1061560259 /nfs/dbraw/zinc/56/02/59/1061560259.db2.gz OXCOXYZKHAXCCQ-YYWHXJBOSA-N 0 0 488.658 2.668 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCO[C@@H](COC(C)C)C3)n2C[C@]2(C)CN(C)C2=O)cc1 ZINC001289877626 1061561567 /nfs/dbraw/zinc/56/15/67/1061561567.db2.gz QIQNSKQCCKARDE-DVECYGJZSA-N 0 0 473.643 2.987 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCNS(C)(=O)=O)cc1 ZINC001289878198 1061562177 /nfs/dbraw/zinc/56/21/77/1061562177.db2.gz DDTMFCQREQSTSO-SFHVURJKSA-N 0 0 467.661 2.679 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCS(=O)CC3)n2CC2([S@](C)=O)CCC2)cc1 ZINC001289878564 1061562571 /nfs/dbraw/zinc/56/25/71/1061562571.db2.gz ZHWUILRNTJGAAX-NDEPHWFRSA-N 0 0 452.671 2.749 20 0 JFADRN 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CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)Oc2ccc(C)cc2)CCO1 ZINC001286943042 1061598380 /nfs/dbraw/zinc/59/83/80/1061598380.db2.gz OMOLMNVMCCTJJW-DENIHFKCSA-N 0 0 464.570 2.766 20 0 JFADRN Cc1cccc(-c2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2CCS(=O)(=O)NC(C)C)n1 ZINC001289909185 1061598709 /nfs/dbraw/zinc/59/87/09/1061598709.db2.gz MPGIQAAULLWNHV-KRWDZBQOSA-N 0 0 458.588 2.879 20 0 JFADRN Cc1cccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)c(F)c2F)n1 ZINC001289909260 1061598726 /nfs/dbraw/zinc/59/87/26/1061598726.db2.gz KOOXOEZPTBWTFD-OAHLLOKOSA-N 0 0 465.501 2.932 20 0 JFADRN Cc1nnc(CCn2c(-c3cccc(C)n3)nnc2N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC001289909527 1061599636 /nfs/dbraw/zinc/59/96/36/1061599636.db2.gz QDTPBLOCBZHLHO-HNNXBMFYSA-N 0 0 498.638 2.896 20 0 JFADRN Cc1cc(C)n(-c2ccc(Cn3c(-c4cccc(C)n4)nnc3N(C)[C@@H](C)CC(N)=O)cn2)n1 ZINC001289909589 1061599793 /nfs/dbraw/zinc/59/97/93/1061599793.db2.gz REGBASRELGJRMU-KRWDZBQOSA-N 0 0 459.558 2.594 20 0 JFADRN Cc1cccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CCN2CCc3ccccc3C2)n1 ZINC001289909577 1061599820 /nfs/dbraw/zinc/59/98/20/1061599820.db2.gz QVABLVAJHFYPPN-IBGZPJMESA-N 0 0 468.627 2.576 20 0 JFADRN Cc1cccc(-c2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2Cc2ccccc2C)n1 ZINC001289909902 1061601083 /nfs/dbraw/zinc/60/10/83/1061601083.db2.gz QSHWUVORYWPSCV-UHFFFAOYSA-N 0 0 454.600 2.865 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCOc2c(C)cccc2C)CCO1 ZINC001286943478 1061601728 /nfs/dbraw/zinc/60/17/28/1061601728.db2.gz QRFIWCCJHDOFGV-NRFANRHFSA-N 0 0 464.570 2.686 20 0 JFADRN Cc1cccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC(=O)Nc2c(C)cccc2C)n1 ZINC001289910307 1061602904 /nfs/dbraw/zinc/60/29/04/1061602904.db2.gz WNEQGMSBRZJHQR-SFHVURJKSA-N 0 0 468.583 2.527 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H](C)c2nc(C)cs2)CCO1 ZINC001286943529 1061603266 /nfs/dbraw/zinc/60/32/66/1061603266.db2.gz BBHDYGHLCGNNGT-KDOFPFPSSA-N 0 0 460.629 2.840 20 0 JFADRN CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)OC)CC1 ZINC001294121515 1061603542 /nfs/dbraw/zinc/60/35/42/1061603542.db2.gz MPMIYTJHUBZDMB-UHFFFAOYSA-N 0 0 463.608 2.625 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2CCO[C@H]2CCCC[C@@H]2C)n1 ZINC001289912386 1061603786 /nfs/dbraw/zinc/60/37/86/1061603786.db2.gz DTRPLEOUHODTSG-RXVVDRJESA-N 0 0 456.591 2.539 20 0 JFADRN Cc1ccc([C@@H](Cn2c(-c3cccc(C)n3)nnc2N(C)CC(=O)NC(C)C)N2CCOCC2)o1 ZINC001289912470 1061604717 /nfs/dbraw/zinc/60/47/17/1061604717.db2.gz GZFLAKGLBGBQIT-OAQYLSRUSA-N 0 0 481.601 2.584 20 0 JFADRN CC1(C)CN(C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)c2cccc(Cl)c21 ZINC001294122337 1061604696 /nfs/dbraw/zinc/60/46/96/1061604696.db2.gz UFGOQWRTUAZSLX-UHFFFAOYSA-N 0 0 456.351 2.695 20 0 JFADRN Cc1ccc([C@H](Cn2c(-c3cccc(C)n3)nnc2N(C)CC(=O)NC(C)C)N2CCOCC2)o1 ZINC001289912469 1061604762 /nfs/dbraw/zinc/60/47/62/1061604762.db2.gz GZFLAKGLBGBQIT-NRFANRHFSA-N 0 0 481.601 2.584 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2nc(C(C)(C)C)cs2)CCO1 ZINC001286943695 1061605219 /nfs/dbraw/zinc/60/52/19/1061605219.db2.gz QVDGCKLMHYWLQE-QGZVFWFLSA-N 0 0 469.615 2.792 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CC(=O)NC(C)C)n2CCCCNC(=O)OC(C)(C)C)n1 ZINC001289913361 1061605878 /nfs/dbraw/zinc/60/58/78/1061605878.db2.gz TZKILVRXAMKKBB-UHFFFAOYSA-N 0 0 459.595 2.914 20 0 JFADRN CC(=O)NCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001286944049 1061608421 /nfs/dbraw/zinc/60/84/21/1061608421.db2.gz BEDDUTAQZARMMY-BXKMTCNYSA-N 0 0 485.564 2.569 20 0 JFADRN Cc1cccc(-c2nnc(N(C)Cc3ccc(S(C)(=O)=O)cc3)n2CCNC(=O)c2ccco2)n1 ZINC001289916955 1061608909 /nfs/dbraw/zinc/60/89/09/1061608909.db2.gz IPDKARKMUPFUMW-UHFFFAOYSA-N 0 0 494.577 2.711 20 0 JFADRN CCO[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(Br)s2)C1(CC)CC ZINC001294129631 1061610822 /nfs/dbraw/zinc/61/08/22/1061610822.db2.gz WUOJWYKJDQBLAP-RYUDHWBXSA-N 0 0 453.424 2.889 20 0 JFADRN CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001294127904 1061610885 /nfs/dbraw/zinc/61/08/85/1061610885.db2.gz JKRSHFPFXNPQMP-IBGZPJMESA-N 0 0 477.631 2.775 20 0 JFADRN CCO[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Br)s2)C1(CC)CC ZINC001294129632 1061612039 /nfs/dbraw/zinc/61/20/39/1061612039.db2.gz WUOJWYKJDQBLAP-VXGBXAGGSA-N 0 0 453.424 2.889 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCSC2(C)C)CCO1 ZINC001286944589 1061613757 /nfs/dbraw/zinc/61/37/57/1061613757.db2.gz CXAIMTWLKCVCMP-ROUUACIJSA-N 0 0 477.606 2.869 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2nc(C)c(C)s2)CCO1 ZINC001286944543 1061613832 /nfs/dbraw/zinc/61/38/32/1061613832.db2.gz BYVGIYCQMGCBJW-SFHLNBCPSA-N 0 0 490.674 2.854 20 0 JFADRN Cc1nnc2n1CCN(C(=O)C1(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC1)[C@H]2C ZINC001289921845 1061613953 /nfs/dbraw/zinc/61/39/53/1061613953.db2.gz VJZUQDZPRLTHFQ-AWEZNQCLSA-N 0 0 451.980 2.825 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(COc3cccc(C)c3)n2CCSCC(F)(F)F)CCO1 ZINC001286944845 1061617094 /nfs/dbraw/zinc/61/70/94/1061617094.db2.gz HYNBLGFAYMIRMB-SFHVURJKSA-N 0 0 487.548 2.802 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2CCSCC(F)(F)F)CCO1 ZINC001286944844 1061617174 /nfs/dbraw/zinc/61/71/74/1061617174.db2.gz HYNBLGFAYMIRMB-GOSISDBHSA-N 0 0 487.548 2.802 20 0 JFADRN CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC001294136086 1061618423 /nfs/dbraw/zinc/61/84/23/1061618423.db2.gz CJRLJLIQMVPUHW-SFTDATJTSA-N 0 0 476.647 2.882 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCCc3ccccc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)n1 ZINC001289928609 1061618498 /nfs/dbraw/zinc/61/84/98/1061618498.db2.gz IKYUHLAHIIAOOZ-OAQYLSRUSA-N 0 0 468.627 2.999 20 0 JFADRN CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 ZINC001294136085 1061618512 /nfs/dbraw/zinc/61/85/12/1061618512.db2.gz CJRLJLIQMVPUHW-RTWAWAEBSA-N 0 0 476.647 2.882 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCc3cnccn3)n2CCOc2ccc(S(C)(=O)=O)cc2)n1 ZINC001289928651 1061618529 /nfs/dbraw/zinc/61/85/29/1061618529.db2.gz JJKHOYVXXBPDJO-UHFFFAOYSA-N 0 0 493.593 2.600 20 0 JFADRN CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nccs2)CC1 ZINC001294136325 1061619687 /nfs/dbraw/zinc/61/96/87/1061619687.db2.gz FIQWICFYSVXXJK-KRWDZBQOSA-N 0 0 468.649 2.642 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCNS(C)(=O)=O)n2Cc2ccc3c(c2)[C@H](C)[C@H](C)O3)n1 ZINC001289930664 1061619893 /nfs/dbraw/zinc/61/98/93/1061619893.db2.gz BMFQRUZTDQMISK-SJORKVTESA-N 0 0 470.599 2.567 20 0 JFADRN CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCS(C)(=O)=O ZINC001294136688 1061620550 /nfs/dbraw/zinc/62/05/50/1061620550.db2.gz IJRCPZJFXXNHGX-QGZVFWFLSA-N 0 0 473.640 2.648 20 0 JFADRN Cc1c2ccccc2oc1Cn1c(-c2cccc(C)n2)nnc1N(C)CCNS(C)(=O)=O ZINC001289930951 1061620596 /nfs/dbraw/zinc/62/05/96/1061620596.db2.gz DYSGXCQUBITBBD-UHFFFAOYSA-N 0 0 454.556 2.737 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H]2CCCO2)CCO1 ZINC001286945234 1061621328 /nfs/dbraw/zinc/62/13/28/1061621328.db2.gz KDRGTXGBJDMLLH-LEWJYISDSA-N 0 0 471.602 2.809 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)Oc2ccccc2F)CCO1 ZINC001286945311 1061622689 /nfs/dbraw/zinc/62/26/89/1061622689.db2.gz LJDXFVOJXBRMPJ-DNVCBOLYSA-N 0 0 488.589 2.582 20 0 JFADRN CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 ZINC001294137592 1061622836 /nfs/dbraw/zinc/62/28/36/1061622836.db2.gz NKRDXYJGQCEXBG-GBESFXJTSA-N 0 0 469.652 2.585 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2OCCC2(C)C)CCO1 ZINC001286945315 1061623592 /nfs/dbraw/zinc/62/35/92/1061623592.db2.gz LJHVHYASQBANFF-FGZHOGPDSA-N 0 0 471.602 2.630 20 0 JFADRN CC(=O)NCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(C)C)CC1 ZINC001286945378 1061623655 /nfs/dbraw/zinc/62/36/55/1061623655.db2.gz HPJHXFXEHCPZCX-UHFFFAOYSA-N 0 0 475.663 2.945 20 0 JFADRN CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001294138881 1061625179 /nfs/dbraw/zinc/62/51/79/1061625179.db2.gz SKDCBGYRWBZHPK-KRWDZBQOSA-N 0 0 475.537 2.855 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CCc2nccnc2C)n1 ZINC001289932581 1061625852 /nfs/dbraw/zinc/62/58/52/1061625852.db2.gz WDYBOOYYVUTXEV-KDURUIRLSA-N 0 0 450.591 2.535 20 0 JFADRN CC(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N1Cc2cccc(Br)c2C1 ZINC001286945720 1061626753 /nfs/dbraw/zinc/62/67/53/1061626753.db2.gz IHTQCHZHUGRAAD-UHFFFAOYSA-N 0 0 484.358 2.734 20 0 JFADRN CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@@H](c2ccc(F)cc2F)C2CC2)C1 ZINC001294140677 1061628270 /nfs/dbraw/zinc/62/82/70/1061628270.db2.gz SABANQYVXPHQCM-DNVCBOLYSA-N 0 0 458.527 2.956 20 0 JFADRN Cc1cccc(-c2nnc(N(CCO)CCc3ccccc3)n2CCN2CCOCC2(C)C)n1 ZINC001289938576 1061629117 /nfs/dbraw/zinc/62/91/17/1061629117.db2.gz WGGANJLRGQEZLM-UHFFFAOYSA-N 0 0 464.614 2.801 20 0 JFADRN CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001294142579 1061629447 /nfs/dbraw/zinc/62/94/47/1061629447.db2.gz GJNYCHJZUZVXNN-UHFFFAOYSA-N 0 0 475.037 2.693 20 0 JFADRN Cc1ccc([C@@H](NC(=O)CNC(=O)NCc2ccco2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001294145311 1061631300 /nfs/dbraw/zinc/63/13/00/1061631300.db2.gz INBFLVHNZAWBOF-JOCHJYFZSA-N 0 0 455.536 2.697 20 0 JFADRN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCC[C@H]2C(N)=O)c1 ZINC001294144771 1061631321 /nfs/dbraw/zinc/63/13/21/1061631321.db2.gz GLAJOGIDWBBHDS-ZTQAJYAQSA-N 0 0 459.543 2.740 20 0 JFADRN Cc1cccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2Cc2ccc(C)n(C)c2=O)n1 ZINC001289940868 1061632027 /nfs/dbraw/zinc/63/20/27/1061632027.db2.gz NROQLZGIEFLWCV-UHFFFAOYSA-N 0 0 477.613 2.787 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[C@H]2CCOC2)CCO1 ZINC001286946245 1061632935 /nfs/dbraw/zinc/63/29/35/1061632935.db2.gz JGXRFNYYJAAYKV-HKUYNNGSSA-N 0 0 480.034 2.992 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2ccccc2Cl)N(C)C)CCO1 ZINC001286946258 1061632986 /nfs/dbraw/zinc/63/29/86/1061632986.db2.gz ZJNBXORKMMWDEH-BVYCBKJFSA-N 0 0 491.036 2.817 20 0 JFADRN CC(=O)NCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001286946370 1061634020 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C[C@H]1CN(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)Cc2ccon2)C[C@H](c2ccsc2)O1 ZINC001291203189 1063359800 /nfs/dbraw/zinc/35/98/00/1063359800.db2.gz YLHWKNPKBIIUMK-MAUKXSAKSA-N 0 0 494.643 2.711 20 0 JFADRN CC(C)c1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1CCn1cc(Br)cn1 ZINC001291203839 1063360277 /nfs/dbraw/zinc/36/02/77/1063360277.db2.gz LETQAKDVIVIZOY-OAHLLOKOSA-N 0 0 453.385 2.835 20 0 JFADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1Cc1ccccc1N1CCCCC1 ZINC001291204846 1063360939 /nfs/dbraw/zinc/36/09/39/1063360939.db2.gz AKJRLHCGSDTYTL-OALUTQOASA-N 0 0 490.674 2.931 20 0 JFADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1Cc1cccc(C2OCCO2)c1 ZINC001291204923 1063361288 /nfs/dbraw/zinc/36/12/88/1063361288.db2.gz BPWLDFJRPHZTHQ-SJORKVTESA-N 0 0 477.631 2.854 20 0 JFADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 ZINC001291205289 1063362894 /nfs/dbraw/zinc/36/28/94/1063362894.db2.gz HHWIYBDZVCPKQG-BZUAXINKSA-N 0 0 495.671 2.925 20 0 JFADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C3CC3)C2)n1CCc1ccc(Cl)s1 ZINC001291205319 1063362915 /nfs/dbraw/zinc/36/29/15/1063362915.db2.gz HLYPMEFNHUEGOL-DVOMOZLQSA-N 0 0 474.052 2.850 20 0 JFADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001291205330 1063363411 /nfs/dbraw/zinc/36/34/11/1063363411.db2.gz HMTJTOVYAIVLHT-MJBXVCDLSA-N 0 0 461.510 2.569 20 0 JFADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)n1CCc1ccc(O)cc1 ZINC001291205423 1063364025 /nfs/dbraw/zinc/36/40/25/1063364025.db2.gz IVPIEABJMSTCCL-GQIGUUNPSA-N 0 0 491.639 2.865 20 0 JFADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1Cc1ccccc1C1OCCO1 ZINC001291205852 1063365835 /nfs/dbraw/zinc/36/58/35/1063365835.db2.gz OXCRHXYHCPLICF-IAGOWNOFSA-N 0 0 477.631 2.854 20 0 JFADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1Cc1ccccc1C1OCCO1 ZINC001291205853 1063365948 /nfs/dbraw/zinc/36/59/48/1063365948.db2.gz OXCRHXYHCPLICF-IRXDYDNUSA-N 0 0 477.631 2.854 20 0 JFADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1Cc1cccc(C(F)(F)F)c1 ZINC001291206283 1063368928 /nfs/dbraw/zinc/36/89/28/1063368928.db2.gz VCDYMGASNBTCJO-LBTNJELSSA-N 0 0 487.548 2.959 20 0 JFADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CC1(c2ccc(F)cc2F)CC1 ZINC001291206383 1063368956 /nfs/dbraw/zinc/36/89/56/1063368956.db2.gz VYMXQHHAFIHLOD-HUUCEWRRSA-N 0 0 483.585 2.902 20 0 JFADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2Cc3ccccc3O[C@@H](C)C2)n1CC1CC(F)(F)C1 ZINC001291206576 1063370030 /nfs/dbraw/zinc/37/00/30/1063370030.db2.gz YRRKUBDPDQWFLU-UONOGXRCSA-N 0 0 455.531 2.721 20 0 JFADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1CCSCc1ccccc1 ZINC001291207017 1063372416 /nfs/dbraw/zinc/37/24/16/1063372416.db2.gz FFLOVNYGZSEOSL-UWVAXJGDSA-N 0 0 479.672 2.825 20 0 JFADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCOc1cccc(F)c1 ZINC001291207464 1063374892 /nfs/dbraw/zinc/37/48/92/1063374892.db2.gz KWRWAXQAQNJNEA-HZPDHXFCSA-N 0 0 453.584 2.979 20 0 JFADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCc1cn2ccccc2n1 ZINC001291207561 1063376228 /nfs/dbraw/zinc/37/62/28/1063376228.db2.gz LYOJOOFLTVXNAT-SJORKVTESA-N 0 0 459.620 2.651 20 0 JFADRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1CC(=O)NCC(F)F ZINC001291207856 1063376790 /nfs/dbraw/zinc/37/67/90/1063376790.db2.gz PZAABKJLXZYWAX-CKNGIIGNSA-N 0 0 497.518 2.713 20 0 JFADRN C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CC(=O)NCC(F)(F)F ZINC001291208541 1063379986 /nfs/dbraw/zinc/37/99/86/1063379986.db2.gz YXJYJGMLPVMELA-MCIONIFRSA-N 0 0 459.444 2.849 20 0 JFADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)C2)n1CCC1CC(OC(C)(C)C)C1 ZINC001291208551 1063380831 /nfs/dbraw/zinc/38/08/31/1063380831.db2.gz YYSQGLYVJRPVNM-XNIRIUNOSA-N 0 0 459.682 2.814 20 0 JFADRN C[C@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCS(=O)(=O)N(C)C ZINC001291208687 1063382154 /nfs/dbraw/zinc/38/21/54/1063382154.db2.gz APEQEJHKPDCQPQ-XHSDSOJGSA-N 0 0 471.624 2.779 20 0 JFADRN CC(C)(C)OC(=O)N1CCC(F)(C(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)CC1 ZINC001295395199 1063382359 /nfs/dbraw/zinc/38/23/59/1063382359.db2.gz RHOFINCXMAYTGP-GFCCVEGCSA-N 0 0 451.503 2.797 20 0 JFADRN C[C@@H](Oc1ccccc1F)c1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1CCCS(C)(=O)=O ZINC001291209349 1063383340 /nfs/dbraw/zinc/38/33/40/1063383340.db2.gz LNRBGJOQAVRSSK-ZWKOTPCHSA-N 0 0 496.605 2.766 20 0 JFADRN C[C@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1CC(=O)NCC(F)F ZINC001291209683 1063384063 /nfs/dbraw/zinc/38/40/63/1063384063.db2.gz QEIAENXUTPMUJI-CVEARBPZSA-N 0 0 497.518 2.713 20 0 JFADRN C[C@@H](Oc1ccccc1F)c1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1CC(=O)NCC(F)F ZINC001291209686 1063384144 /nfs/dbraw/zinc/38/41/44/1063384144.db2.gz QEIAENXUTPMUJI-JKSUJKDBSA-N 0 0 497.518 2.713 20 0 JFADRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCCO[C@@H](C)C2)n1CCS(=O)(=O)N(C)C ZINC001291209775 1063384596 /nfs/dbraw/zinc/38/45/96/1063384596.db2.gz QWMYQXMMXLZEOL-JKSUJKDBSA-N 0 0 472.011 2.578 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CCCNS(C)(=O)=O)C[C@@H](C)S1 ZINC001291209834 1063385221 /nfs/dbraw/zinc/38/52/21/1063385221.db2.gz RZDLUNIVYXXNNZ-ZIAGYGMSSA-N 0 0 488.477 2.977 20 0 JFADRN C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCNC(=O)c2ccn[nH]2)C[C@H](C)S1 ZINC001291210371 1063387998 /nfs/dbraw/zinc/38/79/98/1063387998.db2.gz ATBOXFRQYKOWTI-STQMWFEESA-N 0 0 493.435 2.529 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCCN2CCOC2=O)CCCO1 ZINC001291210376 1063388103 /nfs/dbraw/zinc/38/81/03/1063388103.db2.gz AVNVSAZHNSJLEB-CQSZACIVSA-N 0 0 467.368 2.504 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(C(=O)N(C)C)CCCC2)CCO1 ZINC001291210538 1063388810 /nfs/dbraw/zinc/38/88/10/1063388810.db2.gz DXGRXZYRBCHMMZ-CQSZACIVSA-N 0 0 465.396 2.909 20 0 JFADRN CC[NH+](CC)[C@H](Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1C(C)(C)C)c1ccco1 ZINC001295405300 1063392343 /nfs/dbraw/zinc/39/23/43/1063392343.db2.gz PWIQEZZCBQHFNG-QGZVFWFLSA-N 0 0 471.606 2.772 20 0 JFADRN CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccco1 ZINC001295405222 1063392543 /nfs/dbraw/zinc/39/25/43/1063392543.db2.gz FVJFPTNRUAUVBP-CTNGQTDRSA-N 0 0 458.607 2.905 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2NC(=O)CC2(C)C)CCS1 ZINC001291211142 1063392666 /nfs/dbraw/zinc/39/26/66/1063392666.db2.gz OSEQVEPEBBVXNW-BXUZGUMPSA-N 0 0 453.410 2.892 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCCCCO)CC2(CCOCC2)O1 ZINC001291211378 1063393377 /nfs/dbraw/zinc/39/33/77/1063393377.db2.gz TVPKTCWAGNKPPV-MRXNPFEDSA-N 0 0 482.423 2.983 20 0 JFADRN C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCCn2ccnn2)CC(C)(C)O1 ZINC001291211333 1063393437 /nfs/dbraw/zinc/39/34/37/1063393437.db2.gz SHGOCTUZYWOQAJ-AWEZNQCLSA-N 0 0 463.384 2.732 20 0 JFADRN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC001295405481 1063393624 /nfs/dbraw/zinc/39/36/24/1063393624.db2.gz IWRUJECEDIKFAG-UHFFFAOYSA-N 0 0 450.973 2.577 20 0 JFADRN C[C@H](Cc1cnc2ccccc2n1)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC001295405712 1063393733 /nfs/dbraw/zinc/39/37/33/1063393733.db2.gz KTXPZMDXZGMKHV-OPAMFIHVSA-N 0 0 451.958 2.833 20 0 JFADRN C[C@H]1OCC[C@@]1(O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001291211479 1063394538 /nfs/dbraw/zinc/39/45/38/1063394538.db2.gz VMHXKIWSYGWQDJ-ARGWCVDVSA-N 0 0 468.396 2.590 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC2([S@](C)=O)CC2)CC(C)(C)O1 ZINC001291211486 1063394610 /nfs/dbraw/zinc/39/46/10/1063394610.db2.gz VNDWQMASSRSLRL-MUDIAHQHSA-N 0 0 456.410 2.951 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)NC(C)(C)C)C[C@@H](C)O1 ZINC001291211719 1063396462 /nfs/dbraw/zinc/39/64/62/1063396462.db2.gz ZQCFQGGZCKTKRK-CHWSQXEVSA-N 0 0 453.385 2.954 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(C)CN(C)C2=O)CCCO1 ZINC001291211946 1063397667 /nfs/dbraw/zinc/39/76/67/1063397667.db2.gz FANGEQZEANRSSA-ZUOKHONESA-N 0 0 466.355 2.940 20 0 JFADRN C[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(C)CN(C)C2=O)CCCO1 ZINC001291211943 1063397721 /nfs/dbraw/zinc/39/77/21/1063397721.db2.gz FANGEQZEANRSSA-RBZFPXEDSA-N 0 0 466.355 2.940 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(O)CCSC2)CCO1 ZINC001291212259 1063398341 /nfs/dbraw/zinc/39/83/41/1063398341.db2.gz LEBOPTMFKGNGSB-XIKOKIGWSA-N 0 0 457.369 2.940 20 0 JFADRN C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCCS2(=O)=O)C[C@H](C)S1 ZINC001291212826 1063400778 /nfs/dbraw/zinc/40/07/78/1063400778.db2.gz VBGPBUKSWNKEKD-GJZGRUSLSA-N 0 0 456.037 2.964 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCCS2(=O)=O)C[C@H](C)S1 ZINC001291212825 1063400863 /nfs/dbraw/zinc/40/08/63/1063400863.db2.gz VBGPBUKSWNKEKD-GASCZTMLSA-N 0 0 456.037 2.964 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)N(C)C)C[C@H](C(F)(F)F)O1 ZINC001291213240 1063401490 /nfs/dbraw/zinc/40/14/90/1063401490.db2.gz BLUGMSVFCRLFLO-BXUZGUMPSA-N 0 0 463.407 2.791 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@](C)(O)C2CC2)C[C@H](C)S1 ZINC001291213272 1063402337 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C[C@@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CCOCCS(C)(=O)=O)C[C@H](C)S1 ZINC001291234853 1063497781 /nfs/dbraw/zinc/49/77/81/1063497781.db2.gz DFKQCBZDXUMJOC-CALCHBBNSA-N 0 0 477.656 2.828 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CC(=O)N(C)C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291234850 1063497809 /nfs/dbraw/zinc/49/78/09/1063497809.db2.gz DAYAWUVFCZVATQ-VQIMIIECSA-N 0 0 481.601 2.874 20 0 JFADRN C[C@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CC(=O)N(C)C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291234848 1063497881 /nfs/dbraw/zinc/49/78/81/1063497881.db2.gz DAYAWUVFCZVATQ-LPHOPBHVSA-N 0 0 481.601 2.874 20 0 JFADRN C[C@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CCCNS(C)(=O)=O)C[C@H](C)S1 ZINC001291235091 1063498798 /nfs/dbraw/zinc/49/87/98/1063498798.db2.gz IETDZKQTGCPCSJ-HOTGVXAUSA-N 0 0 462.645 2.706 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CCCNS(C)(=O)=O)C[C@@H](C)S1 ZINC001291235092 1063498838 /nfs/dbraw/zinc/49/88/38/1063498838.db2.gz IETDZKQTGCPCSJ-HZPDHXFCSA-N 0 0 462.645 2.706 20 0 JFADRN C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCSCCCO)C[C@H]1NC(=O)OC(C)(C)C ZINC001291236132 1063500536 /nfs/dbraw/zinc/50/05/36/1063500536.db2.gz ZNAFNZBWBNITES-DOTOQJQBSA-N 0 0 450.609 2.738 20 0 JFADRN C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCOC2CCOCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291236824 1063501406 /nfs/dbraw/zinc/50/14/06/1063501406.db2.gz MLGWAKLPTVNKCJ-PXNSSMCTSA-N 0 0 489.621 2.614 20 0 JFADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001291237138 1063502558 /nfs/dbraw/zinc/50/25/58/1063502558.db2.gz RPSZPZDNYIDSJG-YWTNHNAXSA-N 0 0 457.579 2.994 20 0 JFADRN C[C@H]1CN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCS(C)(=O)=O)C[C@H](C(F)(F)F)O1 ZINC001291237691 1063503511 /nfs/dbraw/zinc/50/35/11/1063503511.db2.gz BNRRWXHLUTXONW-SUMWQHHRSA-N 0 0 485.488 2.801 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCSCC(F)(F)F)CCO1 ZINC001291238511 1063506612 /nfs/dbraw/zinc/50/66/12/1063506612.db2.gz RQPJSEJTKJEIMZ-CYBMUJFWSA-N 0 0 468.505 2.713 20 0 JFADRN 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CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccc(C)cc2)N(C)C)C[C@@H]1C ZINC001295993650 1064049326 /nfs/dbraw/zinc/04/93/26/1064049326.db2.gz DQSJOUHGOJDUDW-RLBLXZPPSA-N 0 0 488.702 2.710 20 0 JFADRN CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccc(C)cc2)C[C@H]1C ZINC001295995327 1064051116 /nfs/dbraw/zinc/05/11/16/1064051116.db2.gz IHKJMSLGVPCXMB-PLACYPQZSA-N 0 0 475.659 2.875 20 0 JFADRN O=C(N[C@H](CO)C[C@H](O)c1ccccc1)c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC001295995862 1064051552 /nfs/dbraw/zinc/05/15/52/1064051552.db2.gz WRGFYBKACOLOMQ-PMACEKPBSA-N 0 0 453.564 2.861 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(Cn3cncn3)CC2)n1CCNS(=O)(=O)c1ccc(C)s1 ZINC001291501523 1064051666 /nfs/dbraw/zinc/05/16/66/1064051666.db2.gz QNMDDJJTRJFVPP-INIZCTEOSA-N 0 0 492.675 2.648 20 0 JFADRN CC[C@H](C)c1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001291501660 1064051991 /nfs/dbraw/zinc/05/19/91/1064051991.db2.gz UBYFOYAWFGHBMC-GBESFXJTSA-N 0 0 498.694 2.909 20 0 JFADRN CC[C@@H](C)c1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O ZINC001291501834 1064052524 /nfs/dbraw/zinc/05/25/24/1064052524.db2.gz WZDMJQBVHMHOBD-SJORKVTESA-N 0 0 457.641 2.920 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1Cc1ccc(OC)c(O)c1 ZINC001291502635 1064053491 /nfs/dbraw/zinc/05/34/91/1064053491.db2.gz KONBVECUMAYYDR-KRWDZBQOSA-N 0 0 481.601 2.934 20 0 JFADRN CCN1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2ccc(OC)cc2)C[C@H]1C ZINC001295997489 1064053665 /nfs/dbraw/zinc/05/36/65/1064053665.db2.gz QXGNNLSCIIOHJD-DYXWJJEUSA-N 0 0 475.659 2.741 20 0 JFADRN CCN1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2ccc(OC)cc2)C[C@@H]1C ZINC001295997492 1064053813 /nfs/dbraw/zinc/05/38/13/1064053813.db2.gz QXGNNLSCIIOHJD-ZJOUEHCJSA-N 0 0 475.659 2.741 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1C[C@](C)(OC)C1CC1 ZINC001291503094 1064054105 /nfs/dbraw/zinc/05/41/05/1064054105.db2.gz RZGQWIRELBZPSC-XDHUDOTRSA-N 0 0 457.623 2.987 20 0 JFADRN 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CCC(CC)NC(=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@]1(O)CCc2ccccc21 ZINC001292067517 1064746832 /nfs/dbraw/zinc/74/68/32/1064746832.db2.gz VIMXZCZVOFTMHL-QFIPXVFZSA-N 0 0 495.546 2.924 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC(O)(c3ccccc3)CC2)n1C[C@@]1(O)CCSC1 ZINC001292067697 1064747332 /nfs/dbraw/zinc/74/73/32/1064747332.db2.gz XOYIEMAZQDWILQ-QHCPKHFHSA-N 0 0 473.643 2.553 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(C2)CCCOC3)n1CCS(=O)(=O)c1ccccc1 ZINC001292069327 1064747980 /nfs/dbraw/zinc/74/79/80/1064747980.db2.gz BHVRKTDWZMPGFB-XMMPIXPASA-N 0 0 489.642 2.677 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCC(F)(F)CC3)n1Cc1ncn(C)n1 ZINC001292069960 1064748863 /nfs/dbraw/zinc/74/88/63/1064748863.db2.gz KBDDKSKDUCOWKE-UHFFFAOYSA-N 0 0 450.538 2.779 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(C2)CCCOC3)n1CCNC(=O)c1cccc(OC)c1 ZINC001292069907 1064748895 /nfs/dbraw/zinc/74/88/95/1064748895.db2.gz IOXQLTYLUFSVBS-AREMUKBSSA-N 0 0 498.628 2.642 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC3(COC(=O)N3)CC2)n1C[C@@H](C)Oc1ccccc1F ZINC001292070327 1064749210 /nfs/dbraw/zinc/74/92/10/1064749210.db2.gz MMIKFXZMJZCBCG-MRXNPFEDSA-N 0 0 488.564 2.882 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1C[C@@H](C)Oc1ccccc1OC ZINC001292070548 1064749726 /nfs/dbraw/zinc/74/97/26/1064749726.db2.gz NZNZMBUIXJHQNO-NSYGIPOTSA-N 0 0 484.601 2.532 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC3(CNC(=O)C3)CC2)n1CC1(COC)CCCCC1 ZINC001292071295 1064750556 /nfs/dbraw/zinc/75/05/56/1064750556.db2.gz URTAYFROKGGOMX-UHFFFAOYSA-N 0 0 474.650 2.900 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(Br)ccc3C2)n1C[C@@]1(O)CCOC1 ZINC001292073866 1064752849 /nfs/dbraw/zinc/75/28/49/1064752849.db2.gz KIQPTCVEGYJGCH-QFIPXVFZSA-N 0 0 492.418 2.673 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1Cc1nccn1C(F)F ZINC001292074076 1064752913 /nfs/dbraw/zinc/75/29/13/1064752913.db2.gz LFURDQHYHCTPCY-UHFFFAOYSA-N 0 0 487.559 2.860 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(cccc3OC)C2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001292074696 1064754192 /nfs/dbraw/zinc/75/41/92/1064754192.db2.gz PWPHKFNLJLVHDC-KRWDZBQOSA-N 0 0 489.642 2.593 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@H]2C)n1CCC(=O)N1CCOCC1 ZINC001292074872 1064754543 /nfs/dbraw/zinc/75/45/43/1064754543.db2.gz KVIJXRWSPMXWEA-QGZVFWFLSA-N 0 0 486.592 2.708 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)cc(F)c3C2)n1C[C@]1(O)CCO[C@@H]1C ZINC001292075494 1064755251 /nfs/dbraw/zinc/75/52/51/1064755251.db2.gz XKOSXNRSGSWXSM-QKFKETGDSA-N 0 0 463.529 2.577 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1C[C@H]1CCS(=O)(=O)C1 ZINC001292075555 1064755556 /nfs/dbraw/zinc/75/55/56/1064755556.db2.gz NYACAIBRMWZLJZ-JKSUJKDBSA-N 0 0 477.606 2.894 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)cc(F)c3C2)n1CCN1CCOC[C@H]1C ZINC001292075530 1064755622 /nfs/dbraw/zinc/75/56/22/1064755622.db2.gz YFZGTPWXQHZXJQ-MRXNPFEDSA-N 0 0 476.572 2.758 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccccc3[C@H]2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001292076148 1064757166 /nfs/dbraw/zinc/75/71/66/1064757166.db2.gz YWJAVVHXJXFUPJ-MSOLQXFVSA-N 0 0 488.658 2.602 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCOc1c(C)cccc1C ZINC001292076438 1064757433 /nfs/dbraw/zinc/75/74/33/1064757433.db2.gz QFHLDSIEPKCTBT-VWLOTQADSA-N 0 0 468.602 2.609 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(F)ccc(F)c3C2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001292077496 1064759607 /nfs/dbraw/zinc/75/96/07/1064759607.db2.gz YVCFKGDNFFHNGQ-HNNXBMFYSA-N 0 0 495.596 2.862 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1C[C@H](C)N(C)c1ccccc1 ZINC001292078705 1064761352 /nfs/dbraw/zinc/76/13/52/1064761352.db2.gz KFQFATMHPSSXSQ-FFZOFVMBSA-N 0 0 470.574 2.836 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1CCc1ccc(F)c(F)c1F ZINC001292079354 1064762270 /nfs/dbraw/zinc/76/22/70/1064762270.db2.gz QXWYCDOWNBTGCZ-HOTGVXAUSA-N 0 0 481.475 2.971 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1CCc1ccc(F)c(F)c1F ZINC001292079356 1064762607 /nfs/dbraw/zinc/76/26/07/1064762607.db2.gz QXWYCDOWNBTGCZ-JKSUJKDBSA-N 0 0 481.475 2.971 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1CC1(SC)CCC1 ZINC001292081752 1064764296 /nfs/dbraw/zinc/76/42/96/1064764296.db2.gz AIXJYQUKQRNSPM-INIZCTEOSA-N 0 0 462.664 2.977 20 0 JFADRN C[C@H](CC(=O)N(Cc1ccccc1)C[C@H]1CCCO1)NS(=O)(=O)c1cccnc1Cl ZINC001292081993 1064764465 /nfs/dbraw/zinc/76/44/65/1064764465.db2.gz BGOOVHIBOCVGSP-SJLPKXTDSA-N 0 0 451.976 3.000 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001292082483 1064764849 /nfs/dbraw/zinc/76/48/49/1064764849.db2.gz CGQZCDPFPPJFFB-BXKMTCNYSA-N 0 0 475.590 2.703 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001292082493 1064764858 /nfs/dbraw/zinc/76/48/58/1064764858.db2.gz CGQZCDPFPPJFFB-OSPHWJPCSA-N 0 0 475.590 2.703 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1Cc1cc(F)ccc1OC ZINC001292082649 1064765112 /nfs/dbraw/zinc/76/51/12/1064765112.db2.gz FCJJAOWGPOAKPA-INIZCTEOSA-N 0 0 486.592 2.888 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1Cc1ccccc1OC(C)C ZINC001292083501 1064765713 /nfs/dbraw/zinc/76/57/13/1064765713.db2.gz GLIMXTMKWSJJHX-LJQANCHMSA-N 0 0 470.618 2.994 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1Cc1nc2cc(OC)ccc2n1C ZINC001292083422 1064765729 /nfs/dbraw/zinc/76/57/29/1064765729.db2.gz FZKZNULSJRYCMD-MRXNPFEDSA-N 0 0 497.600 2.530 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1C[C@]1(C)CCCO1 ZINC001292084894 1064767001 /nfs/dbraw/zinc/76/70/01/1064767001.db2.gz JRFWYZZOMVQHNW-UUOWRZLLSA-N 0 0 460.623 2.508 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 ZINC001292086188 1064768710 /nfs/dbraw/zinc/76/87/10/1064768710.db2.gz ROXJSFCIXNEOCG-GOSISDBHSA-N 0 0 496.591 2.532 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1Cc1c(C)nn(-c2ccccc2)c1C ZINC001292086644 1064769506 /nfs/dbraw/zinc/76/95/06/1064769506.db2.gz UTRSNXYRULCDJP-LJQANCHMSA-N 0 0 492.628 2.749 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1CC1(C)Cc2ccccc2C1 ZINC001292086463 1064769586 /nfs/dbraw/zinc/76/95/86/1064769586.db2.gz SXLKEVUKOLNHOL-HXUWFJFHSA-N 0 0 466.630 2.964 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1CCOc1ccc(F)c(F)c1 ZINC001292086937 1064770611 /nfs/dbraw/zinc/77/06/11/1064770611.db2.gz ZNBZSRPXGKGXSZ-OAHLLOKOSA-N 0 0 479.528 2.943 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1C[C@@H](OC)c1ccc(F)cc1 ZINC001292087574 1064770794 /nfs/dbraw/zinc/77/07/94/1064770794.db2.gz ABDJMWJDYNWYPY-NHCUHLMSSA-N 0 0 474.581 2.828 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](NC(C)=O)C2)n1Cc1ccc(N2CCCCC2)nc1 ZINC001292088109 1064771276 /nfs/dbraw/zinc/77/12/76/1064771276.db2.gz CAMPZQMGKGZJRQ-QFIPXVFZSA-N 0 0 496.660 2.735 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](NC(C)=O)C2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001292090028 1064774412 /nfs/dbraw/zinc/77/44/12/1064774412.db2.gz NAKRFQCFHALEHM-HLAWJBBLSA-N 0 0 462.639 2.753 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1Cc1ccc(NC(C)=O)cc1 ZINC001292090068 1064774797 /nfs/dbraw/zinc/77/47/97/1064774797.db2.gz NUOUYUUQUZFBJJ-JOCHJYFZSA-N 0 0 497.644 2.944 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3cc(C)cn3)C2)n1C[C@H]1CCCCS1(=O)=O ZINC001292090931 1064777229 /nfs/dbraw/zinc/77/72/29/1064777229.db2.gz RXHNPESCPCLSIY-VQTJNVASSA-N 0 0 491.662 2.510 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3cc(C)cn3)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001292090986 1064777558 /nfs/dbraw/zinc/77/75/58/1064777558.db2.gz SFLXGIPBFFOJJT-LJQANCHMSA-N 0 0 493.678 2.756 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@@H]1CC[C@@H](C)C1 ZINC001292091353 1064777934 /nfs/dbraw/zinc/77/79/34/1064777934.db2.gz UITZAMRXNWRBNP-GGPKGHCWSA-N 0 0 480.679 2.637 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1Cc1snnc1C ZINC001292091771 1064779119 /nfs/dbraw/zinc/77/91/19/1064779119.db2.gz KGQLGAUQUPLMPA-MRXNPFEDSA-N 0 0 488.593 2.987 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)cs3)C2)n1CC(=O)NC(C)C ZINC001292092332 1064780142 /nfs/dbraw/zinc/78/01/42/1064780142.db2.gz BNYRRPFYHDJAKI-MRXNPFEDSA-N 0 0 461.636 2.870 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCCN1CCOC1=O ZINC001292092574 1064780510 /nfs/dbraw/zinc/78/05/10/1064780510.db2.gz OWMMKIFBYAWRCE-SFHVURJKSA-N 0 0 464.611 2.823 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3cncn3)C2)n1CCc1csc(C)n1 ZINC001292092633 1064780561 /nfs/dbraw/zinc/78/05/61/1064780561.db2.gz YPEAEJSPDMGFOK-SFHVURJKSA-N 0 0 457.608 2.637 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1Cc1sccc1C ZINC001292092796 1064780943 /nfs/dbraw/zinc/78/09/43/1064780943.db2.gz ZCTHGDYMQJNBOX-SFHVURJKSA-N 0 0 494.687 2.619 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(F)c(COC)c1 ZINC001292093484 1064782114 /nfs/dbraw/zinc/78/21/14/1064782114.db2.gz ZGFJIWHHKIYEFZ-LJQANCHMSA-N 0 0 495.621 2.544 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@H]1CCOC[C@H]1C ZINC001292093575 1064782515 /nfs/dbraw/zinc/78/25/15/1064782515.db2.gz FUPORUPCTCDJRN-VAMGGRTRSA-N 0 0 476.666 2.858 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1CC1(C(N)=O)CCCC1 ZINC001292094182 1064783178 /nfs/dbraw/zinc/78/31/78/1064783178.db2.gz IHFHIBGGTIRLFG-MOPGFXCFSA-N 0 0 474.650 2.885 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1Cc1cnccc1OC ZINC001292093971 1064783315 /nfs/dbraw/zinc/78/33/15/1064783315.db2.gz HMHKSUHTUNJVRQ-QGZVFWFLSA-N 0 0 466.590 2.766 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CCC(=O)N1CCCCC1 ZINC001292094240 1064784028 /nfs/dbraw/zinc/78/40/28/1064784028.db2.gz IZGSBRMLEBTAHD-IBGZPJMESA-N 0 0 484.649 2.717 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[C@H]3CCOC3)C2)n1Cc1cc(C)nn1C ZINC001292094470 1064784842 /nfs/dbraw/zinc/78/48/42/1064784842.db2.gz LGVDFOGCZDRGDA-RBUKOAKNSA-N 0 0 457.623 2.930 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1Cc1ccc(C)c(OC)c1 ZINC001292094735 1064785180 /nfs/dbraw/zinc/78/51/80/1064785180.db2.gz OYIHRYFKSYVSPM-HXUWFJFHSA-N 0 0 470.618 2.914 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3noc(C(C)C)n3)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001292095074 1064786366 /nfs/dbraw/zinc/78/63/66/1064786366.db2.gz RYZWRNWIANGIDJ-UPCLLVRISA-N 0 0 486.621 2.565 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2[C@H]2CCCO2)n1CCN(C)CC(F)(F)F ZINC001292099985 1064790612 /nfs/dbraw/zinc/79/06/12/1064790612.db2.gz GQCIMYAXMZPHAO-DLBZAZTESA-N 0 0 460.545 2.838 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1Cc1cc(F)cc(OC)c1 ZINC001292100855 1064791858 /nfs/dbraw/zinc/79/18/58/1064791858.db2.gz HTQWDLJAYXTBDQ-HXUWFJFHSA-N 0 0 495.621 2.796 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](COC)C2)n1CCC(=O)N1CCCCC1 ZINC001292101931 1064792074 /nfs/dbraw/zinc/79/20/74/1064792074.db2.gz SQTCQGXSZGAPBP-LJQANCHMSA-N 0 0 462.639 2.852 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1Cc1csc(COC)n1 ZINC001292102016 1064792636 /nfs/dbraw/zinc/79/26/36/1064792636.db2.gz QNCDGSFWKDLLQP-MSOLQXFVSA-N 0 0 462.620 2.996 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](COC)C2)n1C[C@H]1CCn2ccnc2C1 ZINC001292102198 1064792841 /nfs/dbraw/zinc/79/28/41/1064792841.db2.gz UXILMLWWMHSCBI-OALUTQOASA-N 0 0 457.623 2.909 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](COC)C2)n1C[C@H]1CCn2ccnc2C1 ZINC001292102199 1064792902 /nfs/dbraw/zinc/79/29/02/1064792902.db2.gz UXILMLWWMHSCBI-RBUKOAKNSA-N 0 0 457.623 2.909 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](SC)C2)n1CCN1CCOC[C@@H]1C ZINC001292102625 1064793653 /nfs/dbraw/zinc/79/36/53/1064793653.db2.gz YICUXOMRDLNAQN-PKOBYXMFSA-N 0 0 452.669 2.639 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2nncn2C)n1Cc1ccc(F)cc1F ZINC001292102814 1064794039 /nfs/dbraw/zinc/79/40/39/1064794039.db2.gz VGEBQXCQGWDDGW-SFHVURJKSA-N 0 0 458.517 2.993 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2CSC)n1CCC(=O)N1CCCCC1 ZINC001292103102 1064794558 /nfs/dbraw/zinc/79/45/58/1064794558.db2.gz XURTWWRRJWEGRJ-GOSISDBHSA-N 0 0 450.653 2.931 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCN(c3ccccc3)CC2)n1CCc1n[nH]c(C)n1 ZINC001292103873 1064794924 /nfs/dbraw/zinc/79/49/24/1064794924.db2.gz ABSXUWOBPBYJFJ-UHFFFAOYSA-N 0 0 465.606 2.582 20 0 JFADRN CC(C)Oc1ccc([C@H](C)NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC001292104167 1064795841 /nfs/dbraw/zinc/79/58/41/1064795841.db2.gz LOYJICVOVSTZIN-XIGKFDRGSA-N 0 0 450.601 2.761 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1Cc1ncccc1C ZINC001292105696 1064799933 /nfs/dbraw/zinc/79/99/33/1064799933.db2.gz PSHZBVCECSEAPB-UHFFFAOYSA-N 0 0 455.607 2.643 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCN(C(=O)C3CC3)CC2)n1CCC1(OC)CCC1 ZINC001292106204 1064802380 /nfs/dbraw/zinc/80/23/80/1064802380.db2.gz UZHGRXRWYFKNQH-UHFFFAOYSA-N 0 0 460.623 2.604 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCO[C@@H](C)C2)n1CCC(=O)NCc1ccccc1 ZINC001292106342 1064803616 /nfs/dbraw/zinc/80/36/16/1064803616.db2.gz WLDUEQZLKZQTHE-SFHVURJKSA-N 0 0 456.591 2.518 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCN(CC)C(=O)C2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC001292106588 1064804953 /nfs/dbraw/zinc/80/49/53/1064804953.db2.gz YCQQLPBANWZYCY-KRWDZBQOSA-N 0 0 498.628 2.635 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1Cc1ccccc1-n1cccn1 ZINC001292110229 1064811519 /nfs/dbraw/zinc/81/15/19/1064811519.db2.gz GFYRMSICGSUJER-UHFFFAOYSA-N 0 0 492.628 2.735 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCOCC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC001292110303 1064812719 /nfs/dbraw/zinc/81/27/19/1064812719.db2.gz PXLHLLRDDOBUPN-HXUWFJFHSA-N 0 0 484.645 2.692 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CCCc1ccccc1 ZINC001292110287 1064812796 /nfs/dbraw/zinc/81/27/96/1064812796.db2.gz IKZHHONLLXDFKT-JOCHJYFZSA-N 0 0 482.629 2.657 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H]1CCC2(CCCCC2)O1 ZINC001292110509 1064814295 /nfs/dbraw/zinc/81/42/95/1064814295.db2.gz SELNYNHETGNHSO-PKOBYXMFSA-N 0 0 460.623 2.780 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@@H]1C[C@@H]1C ZINC001292110551 1064814962 /nfs/dbraw/zinc/81/49/62/1064814962.db2.gz KOKZJIXMWLFMMM-WMZOPIPTSA-N 0 0 456.566 2.954 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3cc(C)oc3C)CC2)n1C[C@H]1CCCOC1 ZINC001292110663 1064815471 /nfs/dbraw/zinc/81/54/71/1064815471.db2.gz LYTLJUMSVQXTDJ-LJQANCHMSA-N 0 0 486.617 2.795 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)COC)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001292110994 1064818059 /nfs/dbraw/zinc/81/80/59/1064818059.db2.gz PXXQWGOIVBSOLI-UHFFFAOYSA-N 0 0 496.534 2.559 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1Cc1ncccc1N(C)C ZINC001292110940 1064818081 /nfs/dbraw/zinc/81/80/81/1064818081.db2.gz YYPUQMYROJNHJL-UTKZUKDTSA-N 0 0 455.607 2.711 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1Cc1cccc(C(=O)NC)c1 ZINC001292110918 1064818108 /nfs/dbraw/zinc/81/81/08/1064818108.db2.gz YAHDLEMXOQDROM-CTNGQTDRSA-N 0 0 468.602 2.610 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1C[C@@H]1C[C@H]1C ZINC001292111503 1064819989 /nfs/dbraw/zinc/81/99/89/1064819989.db2.gz XSMPXRRMDZFJTQ-MSOLQXFVSA-N 0 0 486.592 2.719 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1C[C@H](C)SC ZINC001292111557 1064820525 /nfs/dbraw/zinc/82/05/25/1064820525.db2.gz ZEIOJTACEYKZQB-KRWDZBQOSA-N 0 0 458.632 2.910 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)OC)CC2)n1CCCc1nc2ccccc2[nH]1 ZINC001292113296 1064821645 /nfs/dbraw/zinc/82/16/45/1064821645.db2.gz CRIAHUJGXYGEGL-UHFFFAOYSA-N 0 0 482.589 2.594 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H]1CCCO1 ZINC001292113437 1064822772 /nfs/dbraw/zinc/82/27/72/1064822772.db2.gz IYWCACOAPGQJGN-FUHWJXTLSA-N 0 0 464.611 2.821 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C[C@@H]1CCCCO1 ZINC001292113451 1064822799 /nfs/dbraw/zinc/82/27/99/1064822799.db2.gz JBAHDHYKCVHDLW-IBGZPJMESA-N 0 0 464.611 2.680 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@H](C)c1ncc(C)s1 ZINC001292113963 1064825321 /nfs/dbraw/zinc/82/53/21/1064825321.db2.gz QQLBKRUUUIACMD-AWEZNQCLSA-N 0 0 463.608 2.654 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@H]1CC[C@@H](F)C1 ZINC001292114419 1064827537 /nfs/dbraw/zinc/82/75/37/1064827537.db2.gz YAJYIOYMTBHRDV-DLBZAZTESA-N 0 0 465.618 2.965 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@H]1CC[C@H](F)C1 ZINC001292114421 1064827560 /nfs/dbraw/zinc/82/75/60/1064827560.db2.gz YAJYIOYMTBHRDV-IRXDYDNUSA-N 0 0 465.618 2.965 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@@H]1CC[C@H](F)C1 ZINC001292114422 1064827605 /nfs/dbraw/zinc/82/76/05/1064827605.db2.gz YAJYIOYMTBHRDV-SJORKVTESA-N 0 0 465.618 2.965 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3cnn(C)c3)CC2)n1Cc1cc(F)ccc1F ZINC001292114950 1064831202 /nfs/dbraw/zinc/83/12/02/1064831202.db2.gz DJIBNZLSYKNNTF-UHFFFAOYSA-N 0 0 472.544 2.583 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3cnn(C)c3)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001292115196 1064831923 /nfs/dbraw/zinc/83/19/23/1064831923.db2.gz FAKSRZKZKGBPBV-UHFFFAOYSA-N 0 0 494.644 2.532 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC(C)(C)c1cccs1 ZINC001292115245 1064832451 /nfs/dbraw/zinc/83/24/51/1064832451.db2.gz GPSARMDBIHLUBT-UHFFFAOYSA-N 0 0 498.657 2.823 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(F)cn3)CC2)n1C[C@H](c1ccco1)N(C)C ZINC001292115260 1064833022 /nfs/dbraw/zinc/83/30/22/1064833022.db2.gz HFOVMCZXTYHQQZ-HXUWFJFHSA-N 0 0 498.607 2.953 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1C[C@@H]1CCCOC1 ZINC001292115585 1064833650 /nfs/dbraw/zinc/83/36/50/1064833650.db2.gz JMNDQUMOUULXSV-KRWDZBQOSA-N 0 0 476.025 2.998 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1CCCNC(C)=O ZINC001292115920 1064835462 /nfs/dbraw/zinc/83/54/62/1064835462.db2.gz NMCMZXYDBXORIG-QGZVFWFLSA-N 0 0 473.597 2.577 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3cccnn3)CC2)n1Cc1ccc(C)c(OC)c1 ZINC001292116262 1064837019 /nfs/dbraw/zinc/83/70/19/1064837019.db2.gz QMQLZURCQAJKLP-UHFFFAOYSA-N 0 0 478.601 2.678 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(OC)c3)CC2)n1CCc1ccn(C)n1 ZINC001292116386 1064838258 /nfs/dbraw/zinc/83/82/58/1064838258.db2.gz AMFMXBKEPAZGBX-UHFFFAOYSA-N 0 0 480.617 2.508 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)CC2)n1CC(C)(C)c1ccc2c(c1)OCCO2 ZINC001292116612 1064839035 /nfs/dbraw/zinc/83/90/35/1064839035.db2.gz RGPYRYKNAZICSW-UHFFFAOYSA-N 0 0 498.628 2.614 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3Cl)CC2)n1C[C@H]1COCCO1 ZINC001292117055 1064842096 /nfs/dbraw/zinc/84/20/96/1064842096.db2.gz WFQSXSDWVMAQEF-SFHVURJKSA-N 0 0 477.009 2.592 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(O)cc3)CC2)n1C[C@@H]1CCCCO1 ZINC001292117336 1064843730 /nfs/dbraw/zinc/84/37/30/1064843730.db2.gz ZOHOMYLDXGZUCB-NRFANRHFSA-N 0 0 456.591 2.798 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)C3(CCCCC3)C2)n1C[C@@H](CC)OC ZINC001292117404 1064844285 /nfs/dbraw/zinc/84/42/85/1064844285.db2.gz WEYGEICXRVOSIV-HXUWFJFHSA-N 0 0 462.639 2.993 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CC[C@](C)(O)c1ccccc1 ZINC001292117812 1064845474 /nfs/dbraw/zinc/84/54/74/1064845474.db2.gz YTESSSGWCYSHGC-CJAUYULYSA-N 0 0 470.618 2.551 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C)C(=O)C2)n1Cc1csc(CCc2ccccc2)n1 ZINC001292117806 1064845574 /nfs/dbraw/zinc/84/55/74/1064845574.db2.gz YOIPKUQZKCGQDY-UHFFFAOYSA-N 0 0 495.653 2.765 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(O)c3)CC2)n1C[C@@H]1CCOC[C@@H]1C ZINC001292118025 1064847384 /nfs/dbraw/zinc/84/73/84/1064847384.db2.gz UZRPOPKJNNBKPK-OALUTQOASA-N 0 0 470.618 2.901 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CC[S@](=O)CC ZINC001292118256 1064849111 /nfs/dbraw/zinc/84/91/11/1064849111.db2.gz YVQGRCGYCWEXSU-MGBGTMOVSA-N 0 0 482.601 2.570 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CC[S@@](=O)CC ZINC001292118257 1064849201 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Cc1ccc(Cn2c(C(C)C)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)c(O[C@@H]2CCOC2)c1 ZINC001289658123 1061280402 /nfs/dbraw/zinc/28/04/02/1061280402.db2.gz SLJNEFQVDXIBBV-OAQYLSRUSA-N 0 0 491.658 2.786 20 0 JFADRN Cc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(CC(N)=O)CC2)c(=O)n1C ZINC001289661054 1061280833 /nfs/dbraw/zinc/28/08/33/1061280833.db2.gz BUAPKRHNMUTRCE-QGZVFWFLSA-N 0 0 482.560 2.704 20 0 JFADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C)CC2)c(N2CCOCC2)c1 ZINC001289661043 1061280916 /nfs/dbraw/zinc/28/09/16/1061280916.db2.gz BMXRKSCCCNCUIU-QUCCMNQESA-N 0 0 490.674 2.708 20 0 JFADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC001289661878 1061281796 /nfs/dbraw/zinc/28/17/96/1061281796.db2.gz HTRAKIQSSWPTNA-PKOBYXMFSA-N 0 0 492.646 2.657 20 0 JFADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](OCC3CC3)C2)c(C)c1 ZINC001289661913 1061282272 /nfs/dbraw/zinc/28/22/72/1061282272.db2.gz IIBQIJUUVFYGSO-WIYYLYMNSA-N 0 0 461.632 2.949 20 0 JFADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)s1 ZINC001289662321 1061283058 /nfs/dbraw/zinc/28/30/58/1061283058.db2.gz MBUFOKDLILDHLE-MGPUTAFESA-N 0 0 455.650 2.948 20 0 JFADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@](C)(C(C)(C)C)C2)s1 ZINC001289662323 1061283080 /nfs/dbraw/zinc/28/30/80/1061283080.db2.gz MBUFOKDLILDHLE-YWZLYKJASA-N 0 0 455.650 2.948 20 0 JFADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CCOc2ccccc2Cl)cn1 ZINC001289662352 1061283204 /nfs/dbraw/zinc/28/32/04/1061283204.db2.gz MGMNOQCVRWMHEU-INIZCTEOSA-N 0 0 479.006 2.809 20 0 JFADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CCOc2ccc(Cl)cc2)cn1 ZINC001289663012 1061284004 /nfs/dbraw/zinc/28/40/04/1061284004.db2.gz RHMBMEMTRCFCDZ-MRXNPFEDSA-N 0 0 479.006 2.809 20 0 JFADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCN(c3nccs3)CC2)c(F)c1 ZINC001289663100 1061284500 /nfs/dbraw/zinc/28/45/00/1061284500.db2.gz SBQDREVBCYGJHM-MRXNPFEDSA-N 0 0 493.634 2.557 20 0 JFADRN Cc1ccc(Cn2c(C(C)C)nnc2N2CCN(S(C)(=O)=O)CC2)c(OCC(F)(F)F)c1 ZINC001289663101 1061284538 /nfs/dbraw/zinc/28/45/38/1061284538.db2.gz SBXGNRXQFBUHNN-UHFFFAOYSA-N 0 0 475.537 2.781 20 0 JFADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](c3ccco3)C2)c(C)c1 ZINC001289663423 1061285228 /nfs/dbraw/zinc/28/52/28/1061285228.db2.gz VHKWKDCXHSLCRL-PXNSSMCTSA-N 0 0 459.572 2.724 20 0 JFADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(c3ccnn3C)CC2)c(F)c1 ZINC001289663455 1061285316 /nfs/dbraw/zinc/28/53/16/1061285316.db2.gz VUOWMGNFXRKIDF-MRXNPFEDSA-N 0 0 475.594 2.502 20 0 JFADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](c3noc(C(C)C)n3)C2)cn1 ZINC001289663488 1061285617 /nfs/dbraw/zinc/28/56/17/1061285617.db2.gz WGXJDHUEDRWJKH-AEFFLSMTSA-N 0 0 488.618 2.530 20 0 JFADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C3CCOCC3)C2)s1 ZINC001289663477 1061285654 /nfs/dbraw/zinc/28/56/54/1061285654.db2.gz WAPODJKPSQFMTN-NVXWUHKLSA-N 0 0 453.634 2.559 20 0 JFADRN 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Cc1ccc(Cn2c(-c3cccn3C)nnc2N2CC[C@@H](C(N)=O)C2)c(OCC(F)(F)F)c1 ZINC001289669399 1061290156 /nfs/dbraw/zinc/29/01/56/1061290156.db2.gz DMTFBGNDVGIIEE-MRXNPFEDSA-N 0 0 462.476 2.893 20 0 JFADRN Cc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(C)c1 ZINC001289671078 1061290942 /nfs/dbraw/zinc/29/09/42/1061290942.db2.gz GDJUFNSPKWIRJY-QGZVFWFLSA-N 0 0 461.492 2.849 20 0 JFADRN Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)[C@H](C)CS(C)(=O)=O)c(O[C@@H]2CCOC2)c1 ZINC001289672026 1061291231 /nfs/dbraw/zinc/29/12/31/1061291231.db2.gz WDCGXDSFZPIGMP-IEBWSBKVSA-N 0 0 473.599 2.667 20 0 JFADRN Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(=O)n1C ZINC001289672064 1061291338 /nfs/dbraw/zinc/29/13/38/1061291338.db2.gz WYSDOJFHEOLFBC-FQEVSTJZSA-N 0 0 479.585 2.841 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([S@](C)=O)CC2)[C@@H](C)C1 ZINC001286875135 1061291378 /nfs/dbraw/zinc/29/13/78/1061291378.db2.gz WLWOVHHTUOCMSE-BYLKAPHFSA-N 0 0 467.542 2.515 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccccc3Br)n2CCCCCO)[C@H](C)C1 ZINC001286875391 1061291700 /nfs/dbraw/zinc/29/17/00/1061291700.db2.gz XMYJTAQOFIVRCB-OAHLLOKOSA-N 0 0 450.381 2.927 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC001286875507 1061292223 /nfs/dbraw/zinc/29/22/23/1061292223.db2.gz IFWFDUSHZMFASX-KRWDZBQOSA-N 0 0 481.988 2.789 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](C)C1 ZINC001286875927 1061292601 /nfs/dbraw/zinc/29/26/01/1061292601.db2.gz IMPFDJCYHKBJTO-LPHOPBHVSA-N 0 0 459.595 2.880 20 0 JFADRN Cc1ccc(Cn2c(C3CCC3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)c(O[C@@H]2CCOC2)c1 ZINC001289676188 1061292772 /nfs/dbraw/zinc/29/27/72/1061292772.db2.gz BCGPVONBNBBWMM-FXAWDEMLSA-N 0 0 462.616 2.939 20 0 JFADRN Cc1ccc(Cn2c(C3CCC3)nnc2N(C)[C@H](C)CS(C)(=O)=O)c(O[C@H]2CCOC2)c1 ZINC001289676190 1061292808 /nfs/dbraw/zinc/29/28/08/1061292808.db2.gz BCGPVONBNBBWMM-XLIONFOSSA-N 0 0 462.616 2.939 20 0 JFADRN 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CC(=O)Nc1ccc(Cn2c(CC3CC3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC001286897752 1061383413 /nfs/dbraw/zinc/38/34/13/1061383413.db2.gz WASMZPSYOSVUDV-BEFAXECRSA-N 0 0 469.590 2.982 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)c1 ZINC001286898017 1061384548 /nfs/dbraw/zinc/38/45/48/1061384548.db2.gz VLICTGXKBGNPHN-HXUWFJFHSA-N 0 0 481.626 2.945 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H](C(N)=O)C2)cc1 ZINC001289762774 1061384962 /nfs/dbraw/zinc/38/49/62/1061384962.db2.gz JBKLVDMZAKDZTA-MSOLQXFVSA-N 0 0 482.610 2.747 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001289762777 1061384982 /nfs/dbraw/zinc/38/49/82/1061384982.db2.gz JBKLVDMZAKDZTA-ZWKOTPCHSA-N 0 0 482.610 2.747 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H](C(N)=O)C2)cc1 ZINC001289762776 1061385015 /nfs/dbraw/zinc/38/50/15/1061385015.db2.gz JBKLVDMZAKDZTA-ROUUACIJSA-N 0 0 482.610 2.747 20 0 JFADRN 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Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCOC[C@H]2C)cc1 ZINC001289856370 1061534636 /nfs/dbraw/zinc/53/46/36/1061534636.db2.gz QYWYWXBTQLRSGC-URVUXULASA-N 0 0 491.658 2.915 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001286926037 1061537079 /nfs/dbraw/zinc/53/70/79/1061537079.db2.gz HVUFJUHNQNGSDA-RBUKOAKNSA-N 0 0 464.611 2.739 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C3CCC3)n2CC2([S@@](C)=O)CCC2)cc1 ZINC001289856782 1061538778 /nfs/dbraw/zinc/53/87/78/1061538778.db2.gz YEOYPLYHGZUVCS-WJOKGBTCSA-N 0 0 479.672 2.570 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 ZINC001286926379 1061538969 /nfs/dbraw/zinc/53/89/69/1061538969.db2.gz HBDQMWRPEHXSHU-IRLDBZIGSA-N 0 0 482.629 2.741 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccccn3)nnc2N2CC[C@@H](C)[C@H]2C)s1 ZINC001289856875 1061539282 /nfs/dbraw/zinc/53/92/82/1061539282.db2.gz YWTICYUFZCXDRZ-NVXWUHKLSA-N 0 0 460.629 2.847 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)COCc2ccccc2)C1 ZINC001286926442 1061539454 /nfs/dbraw/zinc/53/94/54/1061539454.db2.gz JEXBSKDGMQNQMM-OIBXWCBGSA-N 0 0 455.603 2.987 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2cccc(Cl)c2)C1 ZINC001286926570 1061540100 /nfs/dbraw/zinc/54/01/00/1061540100.db2.gz KCHAMHHTONTWOP-IUKKYPGJSA-N 0 0 461.994 2.696 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(CCc3ccccc3)nnc2N2CCCOCC2)s1 ZINC001289856933 1061540211 /nfs/dbraw/zinc/54/02/11/1061540211.db2.gz ZYOCYWZRVBTLCY-UHFFFAOYSA-N 0 0 475.640 2.638 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001289860726 1061541502 /nfs/dbraw/zinc/54/15/02/1061541502.db2.gz IFZVGAZPLIWZKY-QGZVFWFLSA-N 0 0 479.672 2.664 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)[C@@H]3CCSC3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 ZINC001289860529 1061541667 /nfs/dbraw/zinc/54/16/67/1061541667.db2.gz BOTJHHZTDOAWLL-WBVHZDCISA-N 0 0 460.629 2.809 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2CCCO[C@H]2CCOC2)C1 ZINC001286926863 1061542178 /nfs/dbraw/zinc/54/21/78/1061542178.db2.gz HJPLJORFXYCLES-GGAORHGYSA-N 0 0 455.603 2.725 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)CC(F)(F)F)n2CCN2CCCS2(=O)=O)cc1 ZINC001289860913 1061542640 /nfs/dbraw/zinc/54/26/40/1061542640.db2.gz MXYJZSDPDZRTGJ-UHFFFAOYSA-N 0 0 463.551 2.913 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)NCC(F)(F)F)C1 ZINC001286927339 1061544999 /nfs/dbraw/zinc/54/49/99/1061544999.db2.gz KIEZNXTZVSUFMU-SFHVURJKSA-N 0 0 496.534 2.505 20 0 JFADRN Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCCC(=O)NC2CC2)cc1 ZINC001289862505 1061545115 /nfs/dbraw/zinc/54/51/15/1061545115.db2.gz HZFLHCZIMHPOFN-QGZVFWFLSA-N 0 0 456.616 2.605 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCc2cccc(C(=O)N(C)C)c2)C1 ZINC001286927413 1061545126 /nfs/dbraw/zinc/54/51/26/1061545126.db2.gz MFZMBQKXFWTZLI-GGAORHGYSA-N 0 0 482.629 2.817 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)CCNS(C)(=O)=O)n2C[C@H]2CCSC2)cc1 ZINC001289862532 1061545324 /nfs/dbraw/zinc/54/53/24/1061545324.db2.gz IQIWFNJLFLJRQX-MRXNPFEDSA-N 0 0 455.675 2.617 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCOCC2(C)C)C1 ZINC001286927636 1061545598 /nfs/dbraw/zinc/54/55/98/1061545598.db2.gz IQVIGNYXURSLKO-OAQYLSRUSA-N 0 0 489.064 2.986 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2CC2(O)CCOCC2)C1 ZINC001286927613 1061545666 /nfs/dbraw/zinc/54/56/66/1061545666.db2.gz UOIFUZMTDVPDSR-HXUWFJFHSA-N 0 0 473.643 2.773 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)C[C@H]3CCOC3)n2CCC(=O)N2CCOCC2)cc1 ZINC001289863327 1061546451 /nfs/dbraw/zinc/54/64/51/1061546451.db2.gz UMQWAKFWXDGAJH-LJQANCHMSA-N 0 0 459.616 2.600 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@]2(O)CCOC2)cc1 ZINC001289863127 1061546586 /nfs/dbraw/zinc/54/65/86/1061546586.db2.gz OHQFERKJEOMVCD-XMMPIXPASA-N 0 0 475.659 2.577 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001286928119 1061547526 /nfs/dbraw/zinc/54/75/26/1061547526.db2.gz LDXZQCDJIAZDNN-XZOQPEGZSA-N 0 0 482.629 2.777 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2cc(COC(C)(C)C)on2)C1 ZINC001286928228 1061547863 /nfs/dbraw/zinc/54/78/63/1061547863.db2.gz XMNCKNBODFAPCQ-YLJYHZDGSA-N 0 0 460.579 2.834 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2Cc2cccc(Br)n2)C1 ZINC001286928557 1061548750 /nfs/dbraw/zinc/54/87/50/1061548750.db2.gz MDMIPBOBVNJZRF-GOSISDBHSA-N 0 0 484.402 2.822 20 0 JFADRN Cc1ccc(SCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2Cc2nnn(C)n2)cc1 ZINC001289867434 1061549029 /nfs/dbraw/zinc/54/90/29/1061549029.db2.gz GRBMEEIXAVSMHS-HIFRSBDPSA-N 0 0 468.509 2.607 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(F)cc2F)C1 ZINC001286928873 1061549800 /nfs/dbraw/zinc/54/98/00/1061549800.db2.gz MWIPPOOOYIGGSF-GOSISDBHSA-N 0 0 457.529 2.819 20 0 JFADRN Cc1ccc(SCc2nnc(N3C[C@@H](C)O[C@]4(CCOC4)C3)n2CC(=O)NCC(F)F)cc1 ZINC001289868275 1061550575 /nfs/dbraw/zinc/55/05/75/1061550575.db2.gz QDWNGMRANTZDPE-OPAMFIHVSA-N 0 0 481.569 2.644 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(CC(C)C)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001286929210 1061551423 /nfs/dbraw/zinc/55/14/23/1061551423.db2.gz NIJAZPGMAUCIAO-MRXNPFEDSA-N 0 0 453.513 2.881 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@@H]2CCC[C@@H](O)C2)cc1 ZINC001289869678 1061552706 /nfs/dbraw/zinc/55/27/06/1061552706.db2.gz IJSNARGWXSLGGS-UYAOXDASSA-N 0 0 493.699 2.948 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC(NS(C)(=O)=O)CC3)n2[C@@H]2C[C@H]2CF)cc1 ZINC001289869935 1061553109 /nfs/dbraw/zinc/55/31/09/1061553109.db2.gz MPAADIDSEZEXOP-MAUKXSAKSA-N 0 0 453.609 2.927 20 0 JFADRN Cc1cc(Cn2c(CSc3ccc(C)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)no1 ZINC001289870579 1061553649 /nfs/dbraw/zinc/55/36/49/1061553649.db2.gz SFMFMYHQPXJVFV-UHFFFAOYSA-N 0 0 476.628 2.742 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCCN2CCOC2=O)cc1 ZINC001289870894 1061554265 /nfs/dbraw/zinc/55/42/65/1061554265.db2.gz CQRLXTVGRSCGAG-SFHVURJKSA-N 0 0 472.615 2.813 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CCCC(F)(F)F)C1 ZINC001286930278 1061554525 /nfs/dbraw/zinc/55/45/25/1061554525.db2.gz QYGQWALOYOEKEF-OAHLLOKOSA-N 0 0 472.537 2.965 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C(C)C)N2CCOCC2)C1 ZINC001286930465 1061555078 /nfs/dbraw/zinc/55/50/78/1061555078.db2.gz RKHUEAARZGZZIJ-QPPBQGQZSA-N 0 0 486.636 2.717 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ncccc2N(C)C)C1 ZINC001286930557 1061555522 /nfs/dbraw/zinc/55/55/22/1061555522.db2.gz RRMVNYACJGRYIT-HXUWFJFHSA-N 0 0 465.577 2.870 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCCN(C)c2ccccc2F)C1 ZINC001286931274 1061557207 /nfs/dbraw/zinc/55/72/07/1061557207.db2.gz ZVOWTJVSFXONKU-UXHICEINSA-N 0 0 458.582 2.800 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[C@H]2CCCCO2)C1 ZINC001286931482 1061557302 /nfs/dbraw/zinc/55/73/02/1061557302.db2.gz XWZHQRDFCALIMQ-FGZHOGPDSA-N 0 0 457.623 2.842 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC[C@H]3c3cnn(C)c3)n2CCNS(C)(=O)=O)cc1 ZINC001289875285 1061557756 /nfs/dbraw/zinc/55/77/56/1061557756.db2.gz HKWNCKWKWLGDIM-IBGZPJMESA-N 0 0 475.644 2.503 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC[C@@H]4OCC[C@@H]4C3)n2CCS(C)(=O)=O)cc1 ZINC001289875546 1061558230 /nfs/dbraw/zinc/55/82/30/1061558230.db2.gz KUNVAJRUKCAHMJ-MJGOQNOKSA-N 0 0 450.630 2.929 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[C@@H]2COCCO2)CC1 ZINC001286931883 1061558904 /nfs/dbraw/zinc/55/89/04/1061558904.db2.gz DKCQYWUWRHDGAL-HXUWFJFHSA-N 0 0 492.418 2.866 20 0 JFADRN CC(=O)NCC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCC(=O)N2)CC1 ZINC001286931866 1061558915 /nfs/dbraw/zinc/55/89/15/1061558915.db2.gz DAEZBBVOZSMHEZ-WIYYLYMNSA-N 0 0 468.602 2.666 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@@H]2CCC[C@@H](O)C2)cc1 ZINC001289875960 1061559116 /nfs/dbraw/zinc/55/91/16/1061559116.db2.gz QKUXTQZJMRUULG-WOJBJXKFSA-N 0 0 493.699 2.902 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCN(C)C(=O)C3)n2CC[C@H](C(F)F)N2CCOCC2)cc1 ZINC001289875946 1061559204 /nfs/dbraw/zinc/55/92/04/1061559204.db2.gz QGPOSJXUMDOBSJ-LJQANCHMSA-N 0 0 494.612 2.513 20 0 JFADRN CC(=O)NCC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3sccc3c2)CC1 ZINC001286931957 1061559364 /nfs/dbraw/zinc/55/93/64/1061559364.db2.gz GPIYSVLMYCRLMA-OAHLLOKOSA-N 0 0 490.655 2.504 20 0 JFADRN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1 ZINC001289876055 1061559567 /nfs/dbraw/zinc/55/95/67/1061559567.db2.gz XDYUFPBZQSHKKF-AZUAARDMSA-N 0 0 474.579 2.978 20 0 JFADRN CC(=O)NCC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2cnnn2C)CC1 ZINC001286932040 1061559769 /nfs/dbraw/zinc/55/97/69/1061559769.db2.gz JTTTUSQWUMPTAN-OAHLLOKOSA-N 0 0 472.981 2.601 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCS(=O)CC3)n2Cc2ccc(N(C)C)nc2)cc1 ZINC001289876558 1061559976 /nfs/dbraw/zinc/55/99/76/1061559976.db2.gz BIXRGCMBHQMILR-UHFFFAOYSA-N 0 0 456.641 2.957 20 0 JFADRN Cc1cnn(C[C@H]2CN(c3nnc(CSc4ccc(C)cc4)n3CCC(=O)N(C)C)CCO2)c1 ZINC001289876750 1061560061 /nfs/dbraw/zinc/56/00/61/1061560061.db2.gz 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1061637066 /nfs/dbraw/zinc/63/70/66/1061637066.db2.gz FLGGUNDZHQGTKT-UHFFFAOYSA-N 0 0 452.481 2.676 20 0 JFADRN Cc1cccc(-c2nnc(N3CCC(C(=O)NC4CCCCC4)CC3)n2CCOCCCO)n1 ZINC001289947137 1061637164 /nfs/dbraw/zinc/63/71/64/1061637164.db2.gz DEKVOIUGXHJDGM-UHFFFAOYSA-N 0 0 470.618 2.713 20 0 JFADRN CC(=O)NCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC001286946861 1061637540 /nfs/dbraw/zinc/63/75/40/1061637540.db2.gz RUXDAIMOHLHSIT-CTNGQTDRSA-N 0 0 499.591 2.802 20 0 JFADRN CCCCCn1cc(Cn2c(-c3ccccn3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)c(C)n1 ZINC001294155031 1061638713 /nfs/dbraw/zinc/63/87/13/1061638713.db2.gz ITGJMWNGWALNGI-SFHVURJKSA-N 0 0 486.646 2.554 20 0 JFADRN CCCCCn1cc(Cn2c(-c3ccccc3F)nnc2N2CCO[C@H](C(=O)NC)C2)c(C)n1 ZINC001294155029 1061638729 /nfs/dbraw/zinc/63/87/29/1061638729.db2.gz IQUXRDANRQVDHN-NRFANRHFSA-N 0 0 469.565 2.779 20 0 JFADRN Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CCc2ccncc2)n1 ZINC001289948311 1061640240 /nfs/dbraw/zinc/64/02/40/1061640240.db2.gz 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CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2cc(C)no2)CCO1 ZINC001286947645 1061648772 /nfs/dbraw/zinc/64/87/72/1061648772.db2.gz RCELXKFMGOPOKG-QFIPXVFZSA-N 0 0 482.585 2.841 20 0 JFADRN Cc1cccc(-c2nnc(N3CC[C@H](N4CCCC4=O)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC001289954138 1061649593 /nfs/dbraw/zinc/64/95/93/1061649593.db2.gz JTHUXYRLITXANP-MSOLQXFVSA-N 0 0 469.590 2.763 20 0 JFADRN CCCCCn1cc(Cn2c(Cc3ccncc3)nnc2N2CCC[C@H](C(=O)NC)C2)c(C)n1 ZINC001294162676 1061649572 /nfs/dbraw/zinc/64/95/72/1061649572.db2.gz QWPRESSGUUAVQP-NRFANRHFSA-N 0 0 464.618 2.970 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H](C)c2nc(C)cs2)CCO1 ZINC001286947690 1061649730 /nfs/dbraw/zinc/64/97/30/1061649730.db2.gz WJEHURSNNNCUQI-LAUBAEHRSA-N 0 0 468.627 2.973 20 0 JFADRN CCCCCn1cc(Cn2c(Cc3ccccc3C)nnc2N2CCO[C@@H](C(=O)NC)C2)c(C)n1 ZINC001294163231 1061650602 /nfs/dbraw/zinc/65/06/02/1061650602.db2.gz ZHXPZVZGWSRJHX-HSZRJFAPSA-N 0 0 479.629 2.872 20 0 JFADRN 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Cc1cccc(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CCC(N)=O)CC2)n1 ZINC001290003138 1061729533 /nfs/dbraw/zinc/72/95/33/1061729533.db2.gz LULDJVIQLRMHFJ-UHFFFAOYSA-N 0 0 476.585 2.744 20 0 JFADRN CC(=O)NCCN(Cc1ccsc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCCC1 ZINC001286959658 1061729552 /nfs/dbraw/zinc/72/95/52/1061729552.db2.gz XBLYRQJNHHEKNH-IBGZPJMESA-N 0 0 465.645 2.575 20 0 JFADRN CC(=O)NCCN(Cc1ccsc1)c1nnc([C@H]2CCCCO2)n1CCN1CCOCC1(C)C ZINC001286959559 1061729576 /nfs/dbraw/zinc/72/95/76/1061729576.db2.gz WFRPRCXGBJPFSY-OAQYLSRUSA-N 0 0 490.674 2.835 20 0 JFADRN CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cnn(C)c2)n1Cc1c(C)noc1C ZINC001286959539 1061729679 /nfs/dbraw/zinc/72/96/79/1061729679.db2.gz XWUXBCJCZUOYMY-UHFFFAOYSA-N 0 0 454.560 2.536 20 0 JFADRN CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccc(C)o2)n1C[C@@]1(C)COCCO1 ZINC001286959523 1061729823 /nfs/dbraw/zinc/72/98/23/1061729823.db2.gz XQNFBDAQNWZUPT-QFIPXVFZSA-N 0 0 459.572 2.856 20 0 JFADRN Cc1cccc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C(F)F)C2)n1 ZINC001290004208 1061730631 /nfs/dbraw/zinc/73/06/31/1061730631.db2.gz YOIXFLORBNZBQC-HZPDHXFCSA-N 0 0 456.563 2.706 20 0 JFADRN Cc1cccc(CC2(O)CCN(c3nnc(CNC(=O)c4cccs4)n3CC(C)(C)O)CC2)c1 ZINC001290004282 1061730732 /nfs/dbraw/zinc/73/07/32/1061730732.db2.gz ZQDKHARWIKMOHI-UHFFFAOYSA-N 0 0 483.638 2.923 20 0 JFADRN Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CCCc1cccc(C)n1 ZINC001290008122 1061731940 /nfs/dbraw/zinc/73/19/40/1061731940.db2.gz QGIPFJVZOYYUOX-WOJBJXKFSA-N 0 0 453.635 2.549 20 0 JFADRN Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CCCc1cccc(C)n1 ZINC001290008111 1061732181 /nfs/dbraw/zinc/73/21/81/1061732181.db2.gz QGIPFJVZOYYUOX-BGYRXZFFSA-N 0 0 453.635 2.549 20 0 JFADRN Cc1cccc(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC(C)(C)C2)n1 ZINC001290009007 1061733121 /nfs/dbraw/zinc/73/31/21/1061733121.db2.gz GNSOMTZDXIRULY-HXUWFJFHSA-N 0 0 476.647 2.574 20 0 JFADRN Cc1cccc(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC(C)(C)C2)n1 ZINC001290009006 1061733392 /nfs/dbraw/zinc/73/33/92/1061733392.db2.gz GNSOMTZDXIRULY-FQEVSTJZSA-N 0 0 476.647 2.574 20 0 JFADRN Cc1cccc2c1C[C@H](C(=O)NCc1ccc(S(N)(=O)=O)s1)N2C(=O)OC(C)(C)C ZINC001290013604 1061736415 /nfs/dbraw/zinc/73/64/15/1061736415.db2.gz XPXJDGXQYWMNLH-MRXNPFEDSA-N 0 0 451.570 2.687 20 0 JFADRN Cc1cccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1 ZINC001290014594 1061736787 /nfs/dbraw/zinc/73/67/87/1061736787.db2.gz AWCDRJDGHXUZBG-QUCCMNQESA-N 0 0 467.618 2.554 20 0 JFADRN CC(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001286963736 1061738484 /nfs/dbraw/zinc/73/84/84/1061738484.db2.gz RQDOXSZMICIUSL-OAQYLSRUSA-N 0 0 455.559 2.851 20 0 JFADRN Cc1cccc(CCn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC001290016148 1061739121 /nfs/dbraw/zinc/73/91/21/1061739121.db2.gz XOSDVDFREFXZDS-IAGOWNOFSA-N 0 0 473.599 2.815 20 0 JFADRN Cc1cccc(CCn2c(-c3cc4ccccc4o3)nnc2N(C)CCNS(C)(=O)=O)n1 ZINC001290016585 1061739539 /nfs/dbraw/zinc/73/95/39/1061739539.db2.gz 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C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccoc1 ZINC001286971966 1061751146 /nfs/dbraw/zinc/75/11/46/1061751146.db2.gz CUJYNHQVCKLBHG-HUUCEWRRSA-N 0 0 479.990 2.761 20 0 JFADRN Cc1nc(Cc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CCc2cccc(C)n2)cs1 ZINC001290034879 1061751388 /nfs/dbraw/zinc/75/13/88/1061751388.db2.gz DOXSGCBUAVLRKK-LJQANCHMSA-N 0 0 460.629 2.593 20 0 JFADRN C[C@@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001294242619 1061752399 /nfs/dbraw/zinc/75/23/99/1061752399.db2.gz RYJOXANDEZZSDH-GFCCVEGCSA-N 0 0 455.939 2.579 20 0 JFADRN Cc1cccc(N2CCN(c3nnc(C(C)C)n3C[C@@H]3CCN(S(C)(=O)=O)C3)CC2)c1C ZINC001290037027 1061752523 /nfs/dbraw/zinc/75/25/23/1061752523.db2.gz AQFXQSLEAOWXGU-HXUWFJFHSA-N 0 0 460.648 2.626 20 0 JFADRN Cc1nc(Cc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CCc2cccc(C)n2)cs1 ZINC001290036980 1061752648 /nfs/dbraw/zinc/75/26/48/1061752648.db2.gz NXTPJKYGSLKZKU-HXUWFJFHSA-N 0 0 474.656 2.983 20 0 JFADRN C[C@H](C(=O)NC1CCCC1)N1CCN(c2nnc(C3CCCC3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001286972241 1061752990 /nfs/dbraw/zinc/75/29/90/1061752990.db2.gz FRNKUXYXITWTJI-LJQANCHMSA-N 0 0 487.693 2.810 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CSc2ccccc21 ZINC001286972369 1061753706 /nfs/dbraw/zinc/75/37/06/1061753706.db2.gz GUIMZDAAMADJBV-IXDOHACOSA-N 0 0 477.656 2.661 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1C[C@H](F)C1)S(C)(=O)=O ZINC001286972381 1061753782 /nfs/dbraw/zinc/75/37/82/1061753782.db2.gz HASGTOYYXYHQEM-DFGXFYAUSA-N 0 0 486.635 2.745 20 0 JFADRN C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(O)cc2)CC1 ZINC001286972424 1061754139 /nfs/dbraw/zinc/75/41/39/1061754139.db2.gz RPKZBDSZTRYMQA-LJQANCHMSA-N 0 0 454.619 2.754 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCNC(=O)C1CC1 ZINC001286972611 1061754761 /nfs/dbraw/zinc/75/47/61/1061754761.db2.gz JBKJIFUGAWPZFP-QZTJIDSGSA-N 0 0 473.643 2.532 20 0 JFADRN CCCCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(Cl)c1 ZINC001294246629 1061754957 /nfs/dbraw/zinc/75/49/57/1061754957.db2.gz SEXVWYPDXUIGPO-LJQANCHMSA-N 0 0 486.038 2.948 20 0 JFADRN Cc1cccc(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3Cc3cccs3)CC2)c1C ZINC001290037856 1061755058 /nfs/dbraw/zinc/75/50/58/1061755058.db2.gz UUPGNVLSOHMHBY-GOSISDBHSA-N 0 0 474.656 2.942 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(Cl)c2)n1CC1(S(C)(=O)=O)CCC1 ZINC001286972842 1061756495 /nfs/dbraw/zinc/75/64/95/1061756495.db2.gz JYWCIFUVKZRNAS-CABCVRRESA-N 0 0 489.063 2.824 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCc1cnn(C)n1 ZINC001286972879 1061757281 /nfs/dbraw/zinc/75/72/81/1061757281.db2.gz KMLLGKKWTOMBLV-OALUTQOASA-N 0 0 485.658 2.767 20 0 JFADRN CCCCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1 ZINC001294251827 1061757356 /nfs/dbraw/zinc/75/73/56/1061757356.db2.gz BDGGDJVPDPRLGK-OALUTQOASA-N 0 0 467.611 2.876 20 0 JFADRN CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001294255536 1061760204 /nfs/dbraw/zinc/76/02/04/1061760204.db2.gz KJBAQPQDPPFGBK-UHFFFAOYSA-N 0 0 477.569 2.973 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1ccc(F)cc1 ZINC001286973343 1061760117 /nfs/dbraw/zinc/76/01/17/1061760117.db2.gz PXNMMYYQQXEEQC-IAGOWNOFSA-N 0 0 479.622 2.889 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1ccc(F)cc1 ZINC001286973345 1061760144 /nfs/dbraw/zinc/76/01/44/1061760144.db2.gz PXNMMYYQQXEEQC-SJORKVTESA-N 0 0 479.622 2.889 20 0 JFADRN COc1cc(-c2ccccc2)sc1C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC001294255250 1061760678 /nfs/dbraw/zinc/76/06/78/1061760678.db2.gz QKVICEMOOGGAMY-UHFFFAOYSA-N 0 0 452.598 2.936 20 0 JFADRN Cc1cccc(NC2CCN(c3nnc(C(=O)NC(C)C)n3CCN3CCOC(C)(C)C3)CC2)c1 ZINC001290044301 1061760810 /nfs/dbraw/zinc/76/08/10/1061760810.db2.gz KAJIGZMDAOBPHN-UHFFFAOYSA-N 0 0 483.661 2.916 20 0 JFADRN Cc1cccc(NC2CCN(c3nnc(CC(C)C)n3CC3(O)CCS(=O)(=O)CC3)CC2)c1 ZINC001290044749 1061761474 /nfs/dbraw/zinc/76/14/74/1061761474.db2.gz ONRFVEBSXPOJLG-UHFFFAOYSA-N 0 0 475.659 2.806 20 0 JFADRN CS(=O)(=O)C[C@H](NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O)c1ccccc1 ZINC001294257888 1061761740 /nfs/dbraw/zinc/76/17/40/1061761740.db2.gz MNBWUBSTUAKXPY-SFHVURJKSA-N 0 0 453.545 2.939 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCCCC1 ZINC001286973467 1061762050 /nfs/dbraw/zinc/76/20/50/1061762050.db2.gz RQCGIMJJHRJDIY-GJZGRUSLSA-N 0 0 487.468 2.779 20 0 JFADRN CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001294260764 1061762320 /nfs/dbraw/zinc/76/23/20/1061762320.db2.gz NSTCNYPLIMRQRJ-IBGZPJMESA-N 0 0 486.573 2.538 20 0 JFADRN CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC001294260380 1061762551 /nfs/dbraw/zinc/76/25/51/1061762551.db2.gz HCFDJJAWOZBMCT-MBSDFSHPSA-N 0 0 477.631 2.770 20 0 JFADRN Cc1cccc(NC2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@H]3OCC[C@H]3C)CC2)c1 ZINC001290045386 1061762641 /nfs/dbraw/zinc/76/26/41/1061762641.db2.gz YUZDVKKNECBGTB-DBXWQHBBSA-N 0 0 476.647 2.703 20 0 JFADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccn3nccc3n2)CC1 ZINC001290045497 1061762779 /nfs/dbraw/zinc/76/27/79/1061762779.db2.gz GSQRLTLVHWARKW-UHFFFAOYSA-N 0 0 455.584 2.790 20 0 JFADRN C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(F)c(F)c2)CC1 ZINC001286973515 1061762754 /nfs/dbraw/zinc/76/27/54/1061762754.db2.gz SLJAOIAXXXZPFO-MRXNPFEDSA-N 0 0 460.573 2.982 20 0 JFADRN CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(c2cccnn2)CC1 ZINC001294261015 1061763098 /nfs/dbraw/zinc/76/30/98/1061763098.db2.gz RAUJPJSBPALCIO-UHFFFAOYSA-N 0 0 453.547 2.888 20 0 JFADRN COc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)nn1 ZINC001290045631 1061763311 /nfs/dbraw/zinc/76/33/11/1061763311.db2.gz HBVWLFPADUAEMZ-UHFFFAOYSA-N 0 0 456.480 2.700 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC=CO1 ZINC001286973559 1061763485 /nfs/dbraw/zinc/76/34/85/1061763485.db2.gz SWEJEVPLPYWQSZ-VNHYZAJKSA-N 0 0 472.409 2.986 20 0 JFADRN CC(C)(C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001290045633 1061763498 /nfs/dbraw/zinc/76/34/98/1061763498.db2.gz HHBUTMSWWVHSGB-ZWKOTPCHSA-N 0 0 461.550 2.760 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCOC1CCCCCC1 ZINC001286973686 1061764016 /nfs/dbraw/zinc/76/40/16/1061764016.db2.gz VILKMOVMGHLWDD-ROUUACIJSA-N 0 0 492.646 2.923 20 0 JFADRN Cc1onc(CO)c1C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC001290046091 1061764060 /nfs/dbraw/zinc/76/40/60/1061764060.db2.gz MFXWHBGVRHCEJQ-UHFFFAOYSA-N 0 0 459.480 2.690 20 0 JFADRN C[C@H](C(=O)NC1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CCCOCC2CC2)CC1 ZINC001286973815 1061764620 /nfs/dbraw/zinc/76/46/20/1061764620.db2.gz XAJRWYBJWUXISD-LJQANCHMSA-N 0 0 460.667 2.962 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)c1 ZINC001290046248 1061764850 /nfs/dbraw/zinc/76/48/50/1061764850.db2.gz DDSIJEMCOSKGQB-IBGZPJMESA-N 0 0 470.599 2.686 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCO[C@@H](C)C2)c1 ZINC001290046289 1061765395 /nfs/dbraw/zinc/76/53/95/1061765395.db2.gz DRGRXEVYKXWDLX-XUVXKRRUSA-N 0 0 462.616 2.994 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC(C)(C)O ZINC001286973955 1061765705 /nfs/dbraw/zinc/76/57/05/1061765705.db2.gz YQKBMUJCLBKTKN-HOTGVXAUSA-N 0 0 460.604 2.754 20 0 JFADRN CC(C)(C)C[C@@H](O)CC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC001290047022 1061766486 /nfs/dbraw/zinc/76/64/86/1061766486.db2.gz VAJLQTWQLDJKHB-LBPRGKRZSA-N 0 0 453.424 2.531 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1C[C@H](c1cccs1)N(C)C ZINC001286974132 1061766860 /nfs/dbraw/zinc/76/68/60/1061766860.db2.gz AZLBYKWYGKXSNT-ZHALLVOQSA-N 0 0 476.672 2.886 20 0 JFADRN CCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001294271152 1061767064 /nfs/dbraw/zinc/76/70/64/1061767064.db2.gz FFXJRVLFJOYAGV-UHFFFAOYSA-N 0 0 451.575 2.687 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CC2)n1Cc1cc2c(cc1OC(F)F)OCO2 ZINC001286974289 1061768083 /nfs/dbraw/zinc/76/80/83/1061768083.db2.gz CYJZWJGESGNHRX-STQMWFEESA-N 0 0 486.541 2.867 20 0 JFADRN CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC001294273356 1061768161 /nfs/dbraw/zinc/76/81/61/1061768161.db2.gz XBGFQQDYSFVIPB-UHFFFAOYSA-N 0 0 461.617 2.724 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)Cc3cscn3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 ZINC001290048634 1061768842 /nfs/dbraw/zinc/76/88/42/1061768842.db2.gz VEDHRPYIXCVMQQ-GOSISDBHSA-N 0 0 476.628 2.682 20 0 JFADRN Cc1ccccc1CN1CCN(C(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC001290052141 1061769523 /nfs/dbraw/zinc/76/95/23/1061769523.db2.gz KQXCCSQODWEOBA-UHFFFAOYSA-N 0 0 450.583 2.594 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1Cn1cccn1 ZINC001286974568 1061769842 /nfs/dbraw/zinc/76/98/42/1061769842.db2.gz HGOPRIOLUBERQP-WOIUINJBSA-N 0 0 486.642 2.723 20 0 JFADRN CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001294279064 1061769934 /nfs/dbraw/zinc/76/99/34/1061769934.db2.gz AHIBIDQNSWMAOS-KRWDZBQOSA-N 0 0 460.604 2.771 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)CCC(C)C)n2CC2(O)CCS(=O)(=O)CC2)c1 ZINC001290052997 1061770088 /nfs/dbraw/zinc/77/00/88/1061770088.db2.gz RTICFMHCGPUVQG-UHFFFAOYSA-N 0 0 450.605 2.588 20 0 JFADRN CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001294279126 1061770609 /nfs/dbraw/zinc/77/06/09/1061770609.db2.gz BNPJQCMIYYRQAG-GFCCVEGCSA-N 0 0 482.554 2.523 20 0 JFADRN CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001294279435 1061770901 /nfs/dbraw/zinc/77/09/01/1061770901.db2.gz DSKSDNSXAJFFLE-UYAOXDASSA-N 0 0 493.605 2.650 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N1CCCCC1 ZINC001286974847 1061770904 /nfs/dbraw/zinc/77/09/04/1061770904.db2.gz BGAGMJGBLDQKOV-RCLSDMTESA-N 0 0 497.706 2.857 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1OCCC1(C)C ZINC001286974875 1061771553 /nfs/dbraw/zinc/77/15/53/1061771553.db2.gz AJCXUCZXPCDRDV-GUXCAODWSA-N 0 0 478.615 2.789 20 0 JFADRN CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001294280455 1061771882 /nfs/dbraw/zinc/77/18/82/1061771882.db2.gz KPDZHLBOJWYGEY-LJQANCHMSA-N 0 0 451.637 2.599 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1Cc1cccc(N2CCCC2=O)c1 ZINC001286975042 1061772593 /nfs/dbraw/zinc/77/25/93/1061772593.db2.gz AOFPAKUVJHBNNZ-IAGOWNOFSA-N 0 0 470.599 2.706 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1Cc1cccc(N2CCCC2=O)c1)S(C)(=O)=O ZINC001286975040 1061772639 /nfs/dbraw/zinc/77/26/39/1061772639.db2.gz AOFPAKUVJHBNNZ-DLBZAZTESA-N 0 0 470.599 2.706 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCOC2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001286975150 1061773903 /nfs/dbraw/zinc/77/39/03/1061773903.db2.gz LDTVPDQOVBDAHG-YLAKUSLOSA-N 0 0 484.066 2.996 20 0 JFADRN CCOC(=O)[C@@H](C)CNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC001294282609 1061773940 /nfs/dbraw/zinc/77/39/40/1061773940.db2.gz QDHBNVIAJQTLNB-LBPRGKRZSA-N 0 0 451.372 2.710 20 0 JFADRN CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001294282429 1061774003 /nfs/dbraw/zinc/77/40/03/1061774003.db2.gz YCRQKJCKWWQDHY-HNNXBMFYSA-N 0 0 483.997 2.735 20 0 JFADRN CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC001294286919 1061774983 /nfs/dbraw/zinc/77/49/83/1061774983.db2.gz JWTOMZVIGWRZBW-UHFFFAOYSA-N 0 0 452.603 2.872 20 0 JFADRN Cc1c(Cn2c(COc3cccc(C)c3)nnc2N(C)CCN2CCOC(C)(C)C2)cnn1C ZINC001290055542 1061775286 /nfs/dbraw/zinc/77/52/86/1061775286.db2.gz OHQWPSFBABSOQP-UHFFFAOYSA-N 0 0 467.618 2.803 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCS(=O)(=O)NC(C)C)c1 ZINC001290055302 1061775374 /nfs/dbraw/zinc/77/53/74/1061775374.db2.gz OHEMTFPQPJFBDU-UHFFFAOYSA-N 0 0 479.647 2.887 20 0 JFADRN CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001294287613 1061775478 /nfs/dbraw/zinc/77/54/78/1061775478.db2.gz QGHXPEKMJWLUTN-UHFFFAOYSA-N 0 0 454.619 2.616 20 0 JFADRN CCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001294290085 1061776119 /nfs/dbraw/zinc/77/61/19/1061776119.db2.gz RZFQEKITSJCNSU-IXDOHACOSA-N 0 0 455.625 2.862 20 0 JFADRN CCCCn1c(COc2ccccc2OC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001294290470 1061776528 /nfs/dbraw/zinc/77/65/28/1061776528.db2.gz UJQAHASJVYEGGB-FQEVSTJZSA-N 0 0 470.618 2.799 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1[C@H]1C[C@H](c2ccccc2F)C1 ZINC001286975414 1061776972 /nfs/dbraw/zinc/77/69/72/1061776972.db2.gz DTQQGWVIHVMLJM-XSLAGTTESA-N 0 0 477.606 2.916 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C[C@@]2(O)CCOC2)c1 ZINC001290057940 1061777064 /nfs/dbraw/zinc/77/70/64/1061777064.db2.gz AOMQZBGYVPCXOB-IBVKSMDESA-N 0 0 485.629 2.694 20 0 JFADRN CCOc1ccccc1-c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[nH]n1 ZINC001290057773 1061777154 /nfs/dbraw/zinc/77/71/54/1061777154.db2.gz FHUIWIGWULSPOY-UHFFFAOYSA-N 0 0 458.515 2.761 20 0 JFADRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)C1 ZINC001294292481 1061777991 /nfs/dbraw/zinc/77/79/91/1061777991.db2.gz LCZUGIXFCIOIBY-OBWXTZQISA-N 0 0 459.543 2.556 20 0 JFADRN CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2F)CC1 ZINC001294293175 1061778617 /nfs/dbraw/zinc/77/86/17/1061778617.db2.gz SVRUWLLOEOBNJL-UHFFFAOYSA-N 0 0 455.552 2.725 20 0 JFADRN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)C1 ZINC001294293701 1061778651 /nfs/dbraw/zinc/77/86/51/1061778651.db2.gz XXOOTQJIFHDBPK-SFHVURJKSA-N 0 0 457.637 2.686 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCN(C)CC(F)(F)F)S(C)(=O)=O ZINC001286975845 1061778971 /nfs/dbraw/zinc/77/89/71/1061778971.db2.gz MTWMZFDOSXHYTI-LSDHHAIUSA-N 0 0 479.544 2.760 20 0 JFADRN C[C@H](O)c1ncc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)s1 ZINC001290058936 1061779323 /nfs/dbraw/zinc/77/93/23/1061779323.db2.gz UANQCXPPVGTABH-JTQLQIEISA-N 0 0 450.369 2.650 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2CCN2CCCS2(=O)=O)c1 ZINC001290059755 1061779807 /nfs/dbraw/zinc/77/98/07/1061779807.db2.gz MZSGKDPZYGBQPU-UHFFFAOYSA-N 0 0 487.548 2.980 20 0 JFADRN CCCCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc(O)cc3C2)c(C)n1 ZINC001294294897 1061779806 /nfs/dbraw/zinc/77/98/06/1061779806.db2.gz BZPFFUXCXFKPSC-KRWDZBQOSA-N 0 0 487.630 2.510 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1CC1(Cc2ccc(F)cc2)CC1 ZINC001286975957 1061780116 /nfs/dbraw/zinc/78/01/16/1061780116.db2.gz HQEJDPWJUMJPRN-QZTJIDSGSA-N 0 0 491.633 2.820 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccnc2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001286975982 1061780233 /nfs/dbraw/zinc/78/02/33/1061780233.db2.gz FCMVUSTVBKNGPP-MSOLQXFVSA-N 0 0 484.626 2.542 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CC(=O)N(C)C)c1 ZINC001290059864 1061780385 /nfs/dbraw/zinc/78/03/85/1061780385.db2.gz OMMOGXITQULDMP-IBGZPJMESA-N 0 0 470.618 2.631 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1Cc1ncn(-c2ccccc2)n1 ZINC001286976007 1061780668 /nfs/dbraw/zinc/78/06/68/1061780668.db2.gz NFIVCXYNOIBQOY-SJORKVTESA-N 0 0 485.639 2.817 20 0 JFADRN CCCCn1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCC(=O)NC)c(C)n1 ZINC001294295567 1061780760 /nfs/dbraw/zinc/78/07/60/1061780760.db2.gz NASUKZQWOWGDOG-UHFFFAOYSA-N 0 0 477.411 2.961 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccsc1Br ZINC001286976105 1061781118 /nfs/dbraw/zinc/78/11/18/1061781118.db2.gz NWGGXLASYNSRMZ-YRGRVCCFSA-N 0 0 477.450 2.912 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2C[C@H]2CCC(=O)N2)c1 ZINC001290060578 1061781404 /nfs/dbraw/zinc/78/14/04/1061781404.db2.gz YTZBBSRFLBXLGZ-VGOFRKELSA-N 0 0 481.519 2.974 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC(=O)NC(C)(C)C)S(C)(=O)=O ZINC001286976118 1061781578 /nfs/dbraw/zinc/78/15/78/1061781578.db2.gz NYSXGSNLDZYAPO-LSDHHAIUSA-N 0 0 485.601 2.710 20 0 JFADRN CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC001294296213 1061782129 /nfs/dbraw/zinc/78/21/29/1061782129.db2.gz OEOYKBNBKYECMS-IHPCNDPISA-N 0 0 469.652 2.633 20 0 JFADRN CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001294296168 1061782300 /nfs/dbraw/zinc/78/23/00/1061782300.db2.gz HRTBZCOLNLOEFX-BXKMTCNYSA-N 0 0 489.621 2.965 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnccn2)n1Cc1c(F)cc(F)c(F)c1F ZINC001286976308 1061782629 /nfs/dbraw/zinc/78/26/29/1061782629.db2.gz DAOBIVJWYZUXGY-GHMZBOCLSA-N 0 0 472.468 2.598 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCN2CCCCC2)c1 ZINC001290062204 1061782567 /nfs/dbraw/zinc/78/25/67/1061782567.db2.gz AOYUOTUJWPUUQP-UHFFFAOYSA-N 0 0 461.632 2.665 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CC[C@@H]2CCO[C@@H](C)C2)c1 ZINC001290062438 1061783444 /nfs/dbraw/zinc/78/34/44/1061783444.db2.gz IBKPUSAWVMXHQY-VQTJNVASSA-N 0 0 491.658 2.889 20 0 JFADRN CCCCn1cc(Cn2c(-c3ccc(Br)cc3)nnc2N2CCNC(=O)C2)c(C)n1 ZINC001294296912 1061785163 /nfs/dbraw/zinc/78/51/63/1061785163.db2.gz YPHDJCFHFOSHPN-UHFFFAOYSA-N 0 0 472.391 2.997 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)NCC(F)F)c1 ZINC001290062741 1061785669 /nfs/dbraw/zinc/78/56/69/1061785669.db2.gz OAHQUFTVXLOIQM-MRXNPFEDSA-N 0 0 494.543 2.650 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1CCN1CC=CCC1 ZINC001286976602 1061785693 /nfs/dbraw/zinc/78/56/93/1061785693.db2.gz JIONEQXJKWQCRE-ROUUACIJSA-N 0 0 465.595 2.516 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCOC2)CC1 ZINC001286976593 1061785740 /nfs/dbraw/zinc/78/57/40/1061785740.db2.gz JHSMWINTDQRHDK-CQSZACIVSA-N 0 0 465.396 2.767 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCSCC1 ZINC001286976712 1061785752 /nfs/dbraw/zinc/78/57/52/1061785752.db2.gz KAISAENKWGPWPZ-FCGDIQPGSA-N 0 0 487.736 2.503 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2Cc2nncn2C)c1 ZINC001290062723 1061785712 /nfs/dbraw/zinc/78/57/12/1061785712.db2.gz NEMKCQCSKYTZEF-GOSISDBHSA-N 0 0 482.589 2.788 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnccn2)n1Cc1cc(-c2ccccc2)no1 ZINC001286976762 1061786819 /nfs/dbraw/zinc/78/68/19/1061786819.db2.gz DJZNTCBQEKOXSV-HZPDHXFCSA-N 0 0 467.555 2.696 20 0 JFADRN CCCCn1c(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294298185 1061787190 /nfs/dbraw/zinc/78/71/90/1061787190.db2.gz ZTDILFMRLMWLCJ-LUFKIMSYSA-N 0 0 490.693 2.936 20 0 JFADRN 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CCCCn1cc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCS(=O)(=O)CC2)c(C)n1 ZINC001294305477 1061792801 /nfs/dbraw/zinc/79/28/01/1061792801.db2.gz WXLDHMNFSQNQCY-UHFFFAOYSA-N 0 0 460.579 2.596 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccccc3F)n2CCCN2CCOC2=O)CC1 ZINC001286977739 1061793210 /nfs/dbraw/zinc/79/32/10/1061793210.db2.gz OHIFVIZWYHBFPQ-UHFFFAOYSA-N 0 0 458.538 2.621 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1CCCCNC(=O)OC(C)(C)C ZINC001286977724 1061793235 /nfs/dbraw/zinc/79/32/35/1061793235.db2.gz GKQAAZGZDXWTLN-HZPDHXFCSA-N 0 0 468.624 2.836 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCSCc1ccccc1F ZINC001286977741 1061793776 /nfs/dbraw/zinc/79/37/76/1061793776.db2.gz GNCFWLFCNSTROT-RKVPGOIHSA-N 0 0 483.635 2.560 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001286977804 1061794350 /nfs/dbraw/zinc/79/43/50/1061794350.db2.gz SPNGKGYDRGXXOZ-QRKMNUTDSA-N 0 0 481.638 2.872 20 0 JFADRN CCCCn1cc(Cn2c(N3CCC[C@H](C(=O)OC)C3)nnc2[C@]2(OCC)CCOC2)c(C)n1 ZINC001294307118 1061794651 /nfs/dbraw/zinc/79/46/51/1061794651.db2.gz LLMRSTMYTBDSKX-CYFREDJKSA-N 0 0 474.606 2.673 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCCC[C@H](C)C3)n2CCOCCS(C)(=O)=O)c1 ZINC001290069616 1061794827 /nfs/dbraw/zinc/79/48/27/1061794827.db2.gz OAFVWGQRZSHVIX-IBGZPJMESA-N 0 0 450.605 2.853 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC(=O)N(C)C2CCCCC2)c1 ZINC001290070770 1061795800 /nfs/dbraw/zinc/79/58/00/1061795800.db2.gz FDVRXSKJRJHLGL-IBGZPJMESA-N 0 0 468.602 2.624 20 0 JFADRN CCCCn1cc(Cn2c(N3CCN(C(=O)OCC)CC3)nnc2[C@@]2(OCC)CCOC2)c(C)n1 ZINC001294308297 1061795879 /nfs/dbraw/zinc/79/58/79/1061795879.db2.gz PUEMFTQRXCGDCQ-XMMPIXPASA-N 0 0 489.621 2.562 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCN1C1CC1 ZINC001286978079 1061796028 /nfs/dbraw/zinc/79/60/28/1061796028.db2.gz ULIXANRIWQMMSF-OPYAIIAOSA-N 0 0 460.648 2.539 20 0 JFADRN 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Cc1cccc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CCCn2ccnn2)c1 ZINC001290071497 1061797920 /nfs/dbraw/zinc/79/79/20/1061797920.db2.gz NIAMXUHQVPHEGU-UHFFFAOYSA-N 0 0 466.590 2.542 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2C[C@]2(O)CCOC2)c1 ZINC001290071490 1061798054 /nfs/dbraw/zinc/79/80/54/1061798054.db2.gz NFCLEIAHVMCCGB-KBMIEXCESA-N 0 0 487.601 2.763 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001286978312 1061797907 /nfs/dbraw/zinc/79/79/07/1061797907.db2.gz UHXXNWMQVVOOLM-HZPDHXFCSA-N 0 0 452.550 2.749 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCN(C)C(=O)OC(C)(C)C)c1 ZINC001290071761 1061799325 /nfs/dbraw/zinc/79/93/25/1061799325.db2.gz SNAYFTWHZMPSBK-GOSISDBHSA-N 0 0 472.590 2.699 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccccn2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001286978548 1061799412 /nfs/dbraw/zinc/79/94/12/1061799412.db2.gz VRZUBSWQYDSOST-SEPYTNNBSA-N 0 0 475.590 2.569 20 0 JFADRN 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Cc1cccc(OCc2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@@H]2COCCO2)c1 ZINC001290075327 1061804693 /nfs/dbraw/zinc/80/46/93/1061804693.db2.gz VGPPPPJOAGQMGZ-PKOBYXMFSA-N 0 0 469.508 2.654 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCS[C@H](C)C3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC001290077284 1061805708 /nfs/dbraw/zinc/80/57/08/1061805708.db2.gz BZAPTAVNXPYSLZ-MSOLQXFVSA-N 0 0 450.630 2.932 20 0 JFADRN CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CC(=O)NCCc2ccccc2)C1 ZINC001286979454 1061806601 /nfs/dbraw/zinc/80/66/01/1061806601.db2.gz AYYSCPSBLXNBFK-OAQYLSRUSA-N 0 0 489.624 2.830 20 0 JFADRN CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001286979456 1061806633 /nfs/dbraw/zinc/80/66/33/1061806633.db2.gz AZACLXBIORVOAM-MOPGFXCFSA-N 0 0 493.699 2.886 20 0 JFADRN CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)nc2)C1 ZINC001294315483 1061806894 /nfs/dbraw/zinc/80/68/94/1061806894.db2.gz BPWMWBIEFXZSMC-AZUAARDMSA-N 0 0 455.607 2.689 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCOC[C@H]3C)n2CC[C@H](C(F)F)N2CCOCC2)c1 ZINC001290078268 1061808236 /nfs/dbraw/zinc/80/82/36/1061808236.db2.gz SZVFTGDHVGSMBY-UYAOXDASSA-N 0 0 465.545 2.747 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(N(C)C)nc1)S(C)(=O)=O ZINC001286979702 1061808522 /nfs/dbraw/zinc/80/85/22/1061808522.db2.gz ZFQSGINSSYJZHG-DLBZAZTESA-N 0 0 474.606 2.775 20 0 JFADRN CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(C)no2)C1 ZINC001294315652 1061808545 /nfs/dbraw/zinc/80/85/45/1061808545.db2.gz CGTLRPGLVVURAI-ROUUACIJSA-N 0 0 480.573 2.791 20 0 JFADRN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(C)(C)C)n2CC2(CS(C)(=O)=O)CC2)C1 ZINC001294315954 1061809092 /nfs/dbraw/zinc/80/90/92/1061809092.db2.gz CZBZZQRTAMSPJQ-QZTJIDSGSA-N 0 0 467.680 2.922 20 0 JFADRN Cc1cccc(OCc2nnc(N3C[C@H]4OCO[C@H]4C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001290078869 1061809061 /nfs/dbraw/zinc/80/90/61/1061809061.db2.gz ZTIIAJDWVNDUDY-RLLQIKCJSA-N 0 0 473.574 2.982 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc3ccccc3o2)n1CC(=O)NCc1ccco1 ZINC001286979713 1061809229 /nfs/dbraw/zinc/80/92/29/1061809229.db2.gz LWVLEXZZMQTYLG-HZPDHXFCSA-N 0 0 485.566 2.859 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CC=CCO1 ZINC001286979915 1061809640 /nfs/dbraw/zinc/80/96/40/1061809640.db2.gz XBTSZABCMLOONT-IKGGRYGDSA-N 0 0 452.552 2.599 20 0 JFADRN Cc1cccc(OCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)S[C@@H](C)C2)c1 ZINC001290079582 1061810200 /nfs/dbraw/zinc/81/02/00/1061810200.db2.gz BDADITXGSICAKC-BBWFWOEESA-N 0 0 453.634 2.606 20 0 JFADRN Cc1cccc(OCc2nnc(Nc3cnn([C@@H]4CC4(F)F)c3)n2CCS(C)(=O)=O)c1 ZINC001290079680 1061810255 /nfs/dbraw/zinc/81/02/55/1061810255.db2.gz CTKRZLKJBBGLLA-MRXNPFEDSA-N 0 0 452.487 2.730 20 0 JFADRN Cc1nc(CN2CCN(c3nnc(C(=O)NC(C)C)n3CCOc3cccc(C)c3)CC2)oc1C ZINC001290080015 1061810803 /nfs/dbraw/zinc/81/08/03/1061810803.db2.gz ITLSQGFSZXUUTG-UHFFFAOYSA-N 0 0 481.601 2.731 20 0 JFADRN Cc1cccc(OCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)c1 ZINC001290083701 1061811946 /nfs/dbraw/zinc/81/19/46/1061811946.db2.gz AKHZVGOXWIADBG-JZXOWHBKSA-N 0 0 488.532 2.724 20 0 JFADRN Cc1cccc2[nH]cc(CCn3c(C(=O)NC(C)C)nnc3N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c21 ZINC001290083532 1061812031 /nfs/dbraw/zinc/81/20/31/1061812031.db2.gz BEERBARIEMTRKQ-SJORKVTESA-N 0 0 474.631 2.707 20 0 JFADRN Cc1cccc(OCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1 ZINC001290083700 1061812043 /nfs/dbraw/zinc/81/20/43/1061812043.db2.gz AKHZVGOXWIADBG-JFIYKMOQSA-N 0 0 488.532 2.724 20 0 JFADRN Cc1cccc2[nH]cc(CCn3c(C(=O)NC(C)C)nnc3N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c21 ZINC001290083530 1061812109 /nfs/dbraw/zinc/81/21/09/1061812109.db2.gz BEERBARIEMTRKQ-IAGOWNOFSA-N 0 0 474.631 2.707 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCN1CC=CCC1)S(C)(=O)=O ZINC001286980329 1061812126 /nfs/dbraw/zinc/81/21/26/1061812126.db2.gz MZKCOKCJFVTXNE-JKSUJKDBSA-N 0 0 453.012 2.513 20 0 JFADRN Cc1cccc(OCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)c1 ZINC001290083703 1061812760 /nfs/dbraw/zinc/81/27/60/1061812760.db2.gz AKHZVGOXWIADBG-NUJGCVRESA-N 0 0 488.532 2.724 20 0 JFADRN Cc1cccc(OCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@H](C)CC(C)(C)C2)c1 ZINC001290083730 1061812803 /nfs/dbraw/zinc/81/28/03/1061812803.db2.gz BBSODWDEWUKWPS-TZIWHRDSSA-N 0 0 491.658 2.871 20 0 JFADRN CO[C@@H](C)c1nc(CN2CCCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)N4C)CC2)cs1 ZINC001294317226 1061813109 /nfs/dbraw/zinc/81/31/09/1061813109.db2.gz LCGNSGGANGRWCI-CVEARBPZSA-N 0 0 457.600 2.975 20 0 JFADRN Cc1cccc(OCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS[C@H](C)[C@H]2C)c1 ZINC001290084153 1061813514 /nfs/dbraw/zinc/81/35/14/1061813514.db2.gz GGFFLROTSOXXSG-KZNAEPCWSA-N 0 0 450.630 2.898 20 0 JFADRN NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC001290083824 1061813529 /nfs/dbraw/zinc/81/35/29/1061813529.db2.gz OICFGZIGXVGOPR-LJQANCHMSA-N 0 0 451.914 2.506 20 0 JFADRN CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2Cc2cccc(CO)c2)C1 ZINC001286980523 1061813744 /nfs/dbraw/zinc/81/37/44/1061813744.db2.gz GTGDHJDPBNJYCH-QFIPXVFZSA-N 0 0 462.598 2.936 20 0 JFADRN Cc1cccc(OCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H]2C(C)C)c1 ZINC001290084793 1061814991 /nfs/dbraw/zinc/81/49/91/1061814991.db2.gz KIEFIFXQCIJZTQ-RTWAWAEBSA-N 0 0 477.631 2.623 20 0 JFADRN CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2F)C1 ZINC001286980656 1061815324 /nfs/dbraw/zinc/81/53/24/1061815324.db2.gz HTBJNOCJMZCKSA-RTBURBONSA-N 0 0 491.633 2.693 20 0 JFADRN Cc1cccc2[nH]cc(CCn3c([C@H]4CCS(=O)(=O)C4)nnc3N(C)CC(=O)NC(C)(C)C)c21 ZINC001290084975 1061815577 /nfs/dbraw/zinc/81/55/77/1061815577.db2.gz PDOPAYHUHDCSBS-SFHVURJKSA-N 0 0 486.642 2.564 20 0 JFADRN CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CCOC2)C1 ZINC001286980855 1061815990 /nfs/dbraw/zinc/81/59/90/1061815990.db2.gz IMPPOJICSRCNJX-HJPURHCSSA-N 0 0 461.994 2.881 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(-c2ccccn2)n1Cc1ccccc1Cn1cccn1)S(C)(=O)=O ZINC001286981096 1061816044 /nfs/dbraw/zinc/81/60/44/1061816044.db2.gz OKSAGAYDXXRZDH-RBUKOAKNSA-N 0 0 479.610 2.891 20 0 JFADRN Cc1cccc2c(CCn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCC(CCCO)CC3)c[nH]c21 ZINC001290085445 1061816626 /nfs/dbraw/zinc/81/66/26/1061816626.db2.gz AHOYQELQUKEGFJ-SFHVURJKSA-N 0 0 488.658 2.910 20 0 JFADRN CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCNC(=O)c2ccn[nH]2)C1 ZINC001286980998 1061816781 /nfs/dbraw/zinc/81/67/81/1061816781.db2.gz HIDDTTGMAVYWSV-GOSISDBHSA-N 0 0 499.019 2.883 20 0 JFADRN CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCC[C@@H](O)C2)C1 ZINC001286981143 1061816960 /nfs/dbraw/zinc/81/69/60/1061816960.db2.gz JTKJFYLFRQKRGN-HMXCVIKNSA-N 0 0 454.619 2.946 20 0 JFADRN Cc1ccc(CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2cccc(C)c2)o1 ZINC001290085791 1061817260 /nfs/dbraw/zinc/81/72/60/1061817260.db2.gz QNYHQXNQQHVKRH-OAQYLSRUSA-N 0 0 489.598 2.536 20 0 JFADRN CO[C@H](C)c1nc(CN2CCCN(C(=O)COc3ccc4c(c3)CCC(=O)N4)CC2)cs1 ZINC001294318379 1061817467 /nfs/dbraw/zinc/81/74/67/1061817467.db2.gz XVKOJXBNVVIASB-MRXNPFEDSA-N 0 0 458.584 2.849 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCCN(C)c1ccccc1F)S(C)(=O)=O ZINC001286981538 1061817553 /nfs/dbraw/zinc/81/75/53/1061817553.db2.gz NMAISKSGGSFJSR-DLBZAZTESA-N 0 0 477.610 2.602 20 0 JFADRN Cc1cccc2c1CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccs1)C2 ZINC001290086247 1061818047 /nfs/dbraw/zinc/81/80/47/1061818047.db2.gz ZZTOYXJPTFITGW-ZHRRBRCNSA-N 0 0 475.640 2.729 20 0 JFADRN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(OCC(F)F)cc3)CC2)cc1 ZINC001294318426 1061818208 /nfs/dbraw/zinc/81/82/08/1061818208.db2.gz YYGMAUUEZLOEKQ-UHFFFAOYSA-N 0 0 453.511 2.584 20 0 JFADRN Cc1cccc2c(CCn3c(C(=O)N4CCCC4)nnc3N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c[nH]c21 ZINC001290086754 1061819011 /nfs/dbraw/zinc/81/90/11/1061819011.db2.gz LXVCTRLWWOXHBW-ROUUACIJSA-N 0 0 486.642 2.804 20 0 JFADRN Cc1ccccc1C(=O)NC1CCN(c2nnc(-c3cnn(C)c3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001290087379 1061821143 /nfs/dbraw/zinc/82/11/43/1061821143.db2.gz QZKOQIKAZANOKU-DHUJRADRSA-N 0 0 497.669 2.933 20 0 JFADRN Cc1ccccc1C1(Cn2c([C@H]3CCOC3)nnc2N(C)CC(=O)NC(C)C)CCOCC1 ZINC001290092929 1061823586 /nfs/dbraw/zinc/82/35/86/1061823586.db2.gz MNCQHDOLSBFHIC-FQEVSTJZSA-N 0 0 455.603 2.800 20 0 JFADRN CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccnc3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC001286982328 1061824427 /nfs/dbraw/zinc/82/44/27/1061824427.db2.gz RMICBCPABQWFSQ-HXUWFJFHSA-N 0 0 496.637 2.923 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCSC1 ZINC001286982154 1061824460 /nfs/dbraw/zinc/82/44/60/1061824460.db2.gz RWKREQDSZPAQIF-RBSFLKMASA-N 0 0 452.602 2.685 20 0 JFADRN Cc1ccccc1C1(Cn2c(-c3cccn3C)nnc2N(C)CCS(C)(=O)=O)CCOCC1 ZINC001290093430 1061824880 /nfs/dbraw/zinc/82/48/80/1061824880.db2.gz PEPNIRZMKZUXRF-UHFFFAOYSA-N 0 0 471.627 2.821 20 0 JFADRN Cc1ccccc1C1(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)CC1 ZINC001290095431 1061827317 /nfs/dbraw/zinc/82/73/17/1061827317.db2.gz NLZKBZWJNOIPKA-MSOLQXFVSA-N 0 0 461.632 2.714 20 0 JFADRN Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCOCC1 ZINC001290095845 1061828222 /nfs/dbraw/zinc/82/82/22/1061828222.db2.gz RRVNZNGKIWPQNF-LEWJYISDSA-N 0 0 475.659 2.798 20 0 JFADRN Cc1ccccc1[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncccc1N(C)C ZINC001290096055 1061828254 /nfs/dbraw/zinc/82/82/54/1061828254.db2.gz YWYQIPGDWRAZRC-ROUUACIJSA-N 0 0 471.631 2.903 20 0 JFADRN NC(=O)C[C@@H](NC(=O)c1cc2c(cc1Br)NC(=O)CO2)c1cccc(Cl)c1 ZINC001294323360 1061828264 /nfs/dbraw/zinc/82/82/64/1061828264.db2.gz VEIFKVAUBFKKRV-CYBMUJFWSA-N 0 0 452.692 2.780 20 0 JFADRN CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3cccnc3)n2CCC(=O)NC(C)C)C1 ZINC001294323239 1061828313 /nfs/dbraw/zinc/82/83/13/1061828313.db2.gz BCMYKJYQTCCZBV-QUCCMNQESA-N 0 0 455.607 2.776 20 0 JFADRN 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1062376313 /nfs/dbraw/zinc/37/63/13/1062376313.db2.gz QZCQVPGFXLFDCZ-LZQZEXGQSA-N 0 0 459.595 2.959 20 0 JFADRN Cc1cc(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)n(C)n1 ZINC001290573982 1062376373 /nfs/dbraw/zinc/37/63/73/1062376373.db2.gz RCJXDRROGIESEP-INIZCTEOSA-N 0 0 459.492 2.632 20 0 JFADRN Cc1cc(Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)CCC(F)(F)F)n(C)n1 ZINC001290573526 1062376473 /nfs/dbraw/zinc/37/64/73/1062376473.db2.gz PZGAYIZJTBIBCE-UHFFFAOYSA-N 0 0 470.525 2.717 20 0 JFADRN CCCNC(=O)c1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C)[C@@H](C)C2)c1 ZINC001294776914 1062376352 /nfs/dbraw/zinc/37/63/52/1062376352.db2.gz JXZXBKMSGNURKC-BZSNNMDCSA-N 0 0 476.647 2.559 20 0 JFADRN CCCNC(=O)c1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](NC(=O)CCC)C2)c1 ZINC001294776875 1062376376 /nfs/dbraw/zinc/37/63/76/1062376376.db2.gz JQAGKBKLWRFIAF-FCHUYYIVSA-N 0 0 482.629 2.855 20 0 JFADRN Cc1cc(Cn2c([C@H]3CCCCO3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)n(C)n1 ZINC001290573989 1062377037 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CC(C)C(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nc(C(F)(F)F)cs2)C1 ZINC001287123697 1062378996 /nfs/dbraw/zinc/37/89/96/1062378996.db2.gz DJVGBNNXVBYALK-ZIAGYGMSSA-N 0 0 499.563 2.741 20 0 JFADRN CCCNC(=O)c1cccc(Cn2c([C@H]3CCCCO3)nnc2N(C)CC(=O)NC(C)C)c1 ZINC001294778199 1062379227 /nfs/dbraw/zinc/37/92/27/1062379227.db2.gz TZVHUTVBMOHRJI-HXUWFJFHSA-N 0 0 456.591 2.669 20 0 JFADRN CCCNC(=O)c1cccc(Cn2c(Cc3ccncc3)nnc2N2C[C@@H](C)O[C@H](COC)C2)c1 ZINC001294778178 1062379254 /nfs/dbraw/zinc/37/92/54/1062379254.db2.gz SSLILFVQSCVFLD-XXBNENTESA-N 0 0 478.597 2.692 20 0 JFADRN Cc1cc(C)n([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC(=O)N(C)Cc3ccccc3)C2)n1 ZINC001290576303 1062379717 /nfs/dbraw/zinc/37/97/17/1062379717.db2.gz ADRVMFIANRMUCV-QFIPXVFZSA-N 0 0 492.628 2.730 20 0 JFADRN CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnn(C)c2)C1 ZINC001287124113 1062380448 /nfs/dbraw/zinc/38/04/48/1062380448.db2.gz RSDAVQFPMUQAAD-OAHLLOKOSA-N 0 0 489.422 2.806 20 0 JFADRN CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)C)n2CC[C@H](C(F)F)N2CCOCC2)C1 ZINC001287124088 1062380476 /nfs/dbraw/zinc/38/04/76/1062380476.db2.gz RGFAIVRDIMHHRT-RBUKOAKNSA-N 0 0 470.609 2.746 20 0 JFADRN CCCNC(=O)c1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](COC(C)C)C2)c1 ZINC001294778729 1062380651 /nfs/dbraw/zinc/38/06/51/1062380651.db2.gz YZLLVWCFYCFNBK-FCHUYYIVSA-N 0 0 471.602 2.600 20 0 JFADRN CCCNC(=O)[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC001294779156 1062381326 /nfs/dbraw/zinc/38/13/26/1062381326.db2.gz AJDBJHOGOGHPKW-SFHVURJKSA-N 0 0 491.658 2.801 20 0 JFADRN CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)O)C1 ZINC001287124397 1062381341 /nfs/dbraw/zinc/38/13/41/1062381341.db2.gz UXYIKXRFTSBBGN-OAHLLOKOSA-N 0 0 481.439 2.806 20 0 JFADRN CC(C)C(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(F)(F)F)C1 ZINC001287124504 1062382490 /nfs/dbraw/zinc/38/24/90/1062382490.db2.gz IMIFVQNJPMCPIQ-HZPDHXFCSA-N 0 0 493.596 2.757 20 0 JFADRN CCCNC(=O)c1cccc(Cn2c(COCC)nnc2N2CCN(C(=O)c3ccco3)CC2)c1 ZINC001294780396 1062382674 /nfs/dbraw/zinc/38/26/74/1062382674.db2.gz KEFFIWYGMJSRRH-UHFFFAOYSA-N 0 0 480.569 2.558 20 0 JFADRN CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001287124615 1062382934 /nfs/dbraw/zinc/38/29/34/1062382934.db2.gz VFZZYTMRFQPCOQ-GOSISDBHSA-N 0 0 478.638 2.780 20 0 JFADRN CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)c2ccco2)C1 ZINC001287124722 1062383081 /nfs/dbraw/zinc/38/30/81/1062383081.db2.gz ITJWAERMCLVNAI-JXQFQVJHSA-N 0 0 459.591 2.661 20 0 JFADRN CCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)c2ccccc2)C1 ZINC001294780414 1062383107 /nfs/dbraw/zinc/38/31/07/1062383107.db2.gz KMVPZMSYBBMRHO-BCHFMIIMSA-N 0 0 491.596 2.576 20 0 JFADRN CCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC2(COC)CCCCC2)C1 ZINC001294780407 1062383194 /nfs/dbraw/zinc/38/31/94/1062383194.db2.gz KLDMSLUAIIICIO-FQEVSTJZSA-N 0 0 474.650 2.854 20 0 JFADRN CCCNC(=O)c1cccc(Cn2c(N3CCC[C@@H](OC)C3)nnc2[C@]2(OCC)CCOC2)c1 ZINC001294780622 1062383584 /nfs/dbraw/zinc/38/35/84/1062383584.db2.gz MYDFRGRAYXFAGV-BWKNWUBXSA-N 0 0 471.602 2.734 20 0 JFADRN CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2Cl)CC1 ZINC001287124918 1062384742 /nfs/dbraw/zinc/38/47/42/1062384742.db2.gz XZRPYBLIEVYOQE-KRWDZBQOSA-N 0 0 480.034 2.623 20 0 JFADRN CCCNC(=O)[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCNC(=O)Cc2cccc(F)c2)C1 ZINC001294780891 1062385131 /nfs/dbraw/zinc/38/51/31/1062385131.db2.gz OQQGMUXTOQCWMS-IBGZPJMESA-N 0 0 472.609 2.816 20 0 JFADRN Cc1cc(C)n(-c2ccccc2Cn2c([C@@H]3CCOC3)nnc2N(C)CCCS(C)(=O)=O)n1 ZINC001290579035 1062385385 /nfs/dbraw/zinc/38/53/85/1062385385.db2.gz UEPAXYVMCKYSAE-HXUWFJFHSA-N 0 0 472.615 2.504 20 0 JFADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3Cc3cccc(CO)c3)C2)n1 ZINC001290579546 1062385998 /nfs/dbraw/zinc/38/59/98/1062385998.db2.gz WORLLODRRCMKHR-OAQYLSRUSA-N 0 0 451.575 2.612 20 0 JFADRN CCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(OC3CCCC3)c2)C1 ZINC001294781173 1062386313 /nfs/dbraw/zinc/38/63/13/1062386313.db2.gz RMHYOBFONJWQDZ-FQEVSTJZSA-N 0 0 497.644 2.924 20 0 JFADRN CCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCO[C@@H]2C(C)C)C1 ZINC001294781511 1062387138 /nfs/dbraw/zinc/38/71/38/1062387138.db2.gz VFVZASNTOUFANU-SFHLNBCPSA-N 0 0 483.617 2.729 20 0 JFADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@]3(C)CCCS3)C2)n1 ZINC001290581526 1062387150 /nfs/dbraw/zinc/38/71/50/1062387150.db2.gz MLPRBGNOCRCGHD-OPYAIIAOSA-N 0 0 481.692 2.829 20 0 JFADRN CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCOC2)C1 ZINC001287125496 1062387650 /nfs/dbraw/zinc/38/76/50/1062387650.db2.gz CRLSXBFZZGMXGR-SFTDATJTSA-N 0 0 455.603 2.925 20 0 JFADRN O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001294782105 1062388037 /nfs/dbraw/zinc/38/80/37/1062388037.db2.gz HJADXJKYJQLKSI-GXTWGEPZSA-N 0 0 458.383 2.893 20 0 JFADRN 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LRHTZFPESGMEHP-RTWAWAEBSA-N 0 0 452.603 2.937 20 0 JFADRN Cc1nnc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3cc(F)cc(F)c3C2)s1 ZINC001290678478 1062587899 /nfs/dbraw/zinc/58/78/99/1062587899.db2.gz FLKHHPODZHMFFA-GFCCVEGCSA-N 0 0 497.597 2.522 20 0 JFADRN Cc1nnc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(F)c(F)c2)s1 ZINC001290678753 1062588217 /nfs/dbraw/zinc/58/82/17/1062588217.db2.gz JKINUANGFCTNCB-GFCCVEGCSA-N 0 0 485.586 2.596 20 0 JFADRN CCCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001294877075 1062588568 /nfs/dbraw/zinc/58/85/68/1062588568.db2.gz SOBKOMBWNHVPQM-HXUWFJFHSA-N 0 0 461.632 2.750 20 0 JFADRN CC(C)c1ncc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)C2CC2)cn1 ZINC001287171295 1062588884 /nfs/dbraw/zinc/58/88/84/1062588884.db2.gz PHYSNKDXDCULJA-QHCPKHFHSA-N 0 0 450.547 2.636 20 0 JFADRN CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CN1CCc2ccccc2C1=O ZINC001294877596 1062589057 /nfs/dbraw/zinc/58/90/57/1062589057.db2.gz AEKYNHQMBSXZAH-UHFFFAOYSA-N 0 0 458.584 2.786 20 0 JFADRN Cc1nnc(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[C@@H]3CCOC3)C2)s1 ZINC001290679114 1062589162 /nfs/dbraw/zinc/58/91/62/1062589162.db2.gz PWGVONVKMDGGKL-ROUUACIJSA-N 0 0 461.636 2.852 20 0 JFADRN CCCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001294877686 1062589222 /nfs/dbraw/zinc/58/92/22/1062589222.db2.gz UCVAFJRSXQJIPD-CZUORRHYSA-N 0 0 459.444 2.851 20 0 JFADRN Cc1nnc(CCCn2c(C(=O)NC(C)C)nnc2N2CCC(Oc3ncccc3F)CC2)s1 ZINC001290679253 1062589593 /nfs/dbraw/zinc/58/95/93/1062589593.db2.gz UXISNXVCBHKEDN-UHFFFAOYSA-N 0 0 488.593 2.791 20 0 JFADRN Cc1nnc(CCCn2c(C(C)C)nnc2N2CCC(CNC(=O)c3cnn(C)c3)CC2)s1 ZINC001290679219 1062589726 /nfs/dbraw/zinc/58/97/26/1062589726.db2.gz UANPEQATOOOPAE-UHFFFAOYSA-N 0 0 471.635 2.574 20 0 JFADRN CCCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001294878351 1062590138 /nfs/dbraw/zinc/59/01/38/1062590138.db2.gz WSNAVBOUCNJXLI-SJLPKXTDSA-N 0 0 498.049 2.838 20 0 JFADRN 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CCCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001294879895 1062592631 /nfs/dbraw/zinc/59/26/31/1062592631.db2.gz HMIMJSIQCHHHNL-HNNXBMFYSA-N 0 0 479.672 2.671 20 0 JFADRN CCCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001294879862 1062592676 /nfs/dbraw/zinc/59/26/76/1062592676.db2.gz GLIRGXDJFKFVED-GFCCVEGCSA-N 0 0 485.814 2.706 20 0 JFADRN Cc1nnc(CCCn2c(CN3CCCC3=O)nnc2N(C)Cc2cc(Cl)ccn2)s1 ZINC001290680544 1062593050 /nfs/dbraw/zinc/59/30/50/1062593050.db2.gz YDPJWKLXRCHLJB-UHFFFAOYSA-N 0 0 460.995 2.878 20 0 JFADRN Cc1nnc(CCCn2c(-c3ccccc3F)nnc2N2CC[C@@H](S(C)(=O)=O)C2)s1 ZINC001290680756 1062593569 /nfs/dbraw/zinc/59/35/69/1062593569.db2.gz AZLUDSZURLLAQR-CQSZACIVSA-N 0 0 450.565 2.500 20 0 JFADRN CC(C)c1nnc([C@@H]2CN(c3nnc(-c4ccccn4)n3CCC(=O)NC(C)(C)C)CCO2)o1 ZINC001287172877 1062593469 /nfs/dbraw/zinc/59/34/69/1062593469.db2.gz YGZBDQINEBTYHE-KRWDZBQOSA-N 0 0 468.562 2.729 20 0 JFADRN CC(C)c1nnc([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@]3(O)CCSC3)CCO2)o1 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CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccs2)C1 ZINC001287539199 1062973994 /nfs/dbraw/zinc/97/39/94/1062973994.db2.gz LFIXSEFKYMYPSU-HKUYNNGSSA-N 0 0 467.661 2.788 20 0 JFADRN C[C@@H]1CC[C@H](C)CN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C(N)=O)CCCC1 ZINC001291045113 1062974940 /nfs/dbraw/zinc/97/49/40/1062974940.db2.gz YVUKEPACBHPNQX-ZWKOTPCHSA-N 0 0 488.658 2.866 20 0 JFADRN C[C@@H]1CC[C@H](C)CN1c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001291046211 1062975065 /nfs/dbraw/zinc/97/50/65/1062975065.db2.gz NUBMBSJOJNGVOI-LSDHHAIUSA-N 0 0 453.996 2.558 20 0 JFADRN CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[C@@H](C)C2)C1 ZINC001287540565 1062974989 /nfs/dbraw/zinc/97/49/89/1062974989.db2.gz NCTGPUVHNRVCFZ-FYQPLNBISA-N 0 0 453.653 2.920 20 0 JFADRN CC(C)C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[C@H]2CCCCO2)C1 ZINC001287541343 1062975051 /nfs/dbraw/zinc/97/50/51/1062975051.db2.gz NNERFULVLUYHHC-PWRODBHTSA-N 0 0 483.679 2.833 20 0 JFADRN 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CC[C@H](C)c1nnc(N2CCC(C(=O)NCCOC)CC2)n1CCn1cnc2ccccc21 ZINC001291485534 1064042350 /nfs/dbraw/zinc/04/23/50/1064042350.db2.gz QMCAZXYVUMQFLD-SFHVURJKSA-N 0 0 453.591 2.821 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1C[C@H]1COCCO1 ZINC001291485526 1064042361 /nfs/dbraw/zinc/04/23/61/1064042361.db2.gz QGNGJPVNUDUUCG-UWJYYQICSA-N 0 0 459.566 2.879 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCCNS(=O)(=O)CC ZINC001291486633 1064043527 /nfs/dbraw/zinc/04/35/27/1064043527.db2.gz JDIOXQDMVWWXHA-KBXCAEBGSA-N 0 0 469.574 2.651 20 0 JFADRN CC[C@H](C)c1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O ZINC001291486973 1064043906 /nfs/dbraw/zinc/04/39/06/1064043906.db2.gz OHIZJNAEVHNMRS-ULQDDVLXSA-N 0 0 457.641 2.966 20 0 JFADRN CC[C@H](C)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001291489899 1064044920 /nfs/dbraw/zinc/04/49/20/1064044920.db2.gz LOXUGDKKRIASJF-FDDCHVKYSA-N 0 0 450.628 2.960 20 0 JFADRN CC[C@@H](C)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001291489900 1064044964 /nfs/dbraw/zinc/04/49/64/1064044964.db2.gz LOXUGDKKRIASJF-JPYJTQIMSA-N 0 0 450.628 2.960 20 0 JFADRN COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)Cc1[nH]nc2c1CCCC2 ZINC001295991187 1064045887 /nfs/dbraw/zinc/04/58/87/1064045887.db2.gz PHTLVZDSVIOONV-GOSISDBHSA-N 0 0 459.344 2.975 20 0 JFADRN COC(=O)[C@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)CNC(=O)OC(C)(C)C ZINC001295991480 1064046353 /nfs/dbraw/zinc/04/63/53/1064046353.db2.gz RRPLOBULWBKNMH-AWEZNQCLSA-N 0 0 454.321 2.655 20 0 JFADRN CCC1(CC)NC(=O)N(CC(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OC)c2)C1=O ZINC001295992100 1064046802 /nfs/dbraw/zinc/04/68/02/1064046802.db2.gz VSUTZEYAICUCFE-NRFANRHFSA-N 0 0 453.539 2.868 20 0 JFADRN CCN1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)C[C@@H]1C ZINC001295993306 1064048278 /nfs/dbraw/zinc/04/82/78/1064048278.db2.gz CSALSKTWDSEXAV-UFYCRDLUSA-N 0 0 467.680 2.839 20 0 JFADRN CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)C[C@H]1C ZINC001295993302 1064048295 /nfs/dbraw/zinc/04/82/95/1064048295.db2.gz CSALSKTWDSEXAV-HSALFYBXSA-N 0 0 467.680 2.839 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1Cc1cccc(Br)n1 ZINC001291496076 1064049062 /nfs/dbraw/zinc/04/90/62/1064049062.db2.gz DWYOAJOJUSHTTB-DYVFJYSZSA-N 0 0 490.406 2.764 20 0 JFADRN O=C(CCNC(=O)Nc1ccc(Br)cc1)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC001295993849 1064049838 /nfs/dbraw/zinc/04/98/38/1064049838.db2.gz OXLCFLBBNUUDKB-ZWKOTPCHSA-N 0 0 450.333 2.562 20 0 JFADRN CC[C@@H](C)c1nnc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1CCNS(=O)(=O)c1ccccc1 ZINC001291500575 1064051435 /nfs/dbraw/zinc/05/14/35/1064051435.db2.gz ZPNNUKRGIFUUHY-MOPGFXCFSA-N 0 0 471.631 2.573 20 0 JFADRN O=C(N[C@@H](CO)C[C@H](O)c1ccccc1)c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC001295995866 1064051445 /nfs/dbraw/zinc/05/14/45/1064051445.db2.gz WRGFYBKACOLOMQ-UXHICEINSA-N 0 0 453.564 2.861 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(Cn3cccn3)CC2)n1Cc1cccc(S(=O)(=O)NC)c1 ZINC001291501438 1064051760 /nfs/dbraw/zinc/05/17/60/1064051760.db2.gz OXSJEKBPHFTDKS-SFHVURJKSA-N 0 0 471.631 2.861 20 0 JFADRN CC[C@@H](C)c1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001291501659 1064052198 /nfs/dbraw/zinc/05/21/98/1064052198.db2.gz UBYFOYAWFGHBMC-CEXWTWQISA-N 0 0 498.694 2.909 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC(Cn3cncn3)CC2)n1CCNC(=O)c1cccc(OC)c1 ZINC001291501753 1064052535 /nfs/dbraw/zinc/05/25/35/1064052535.db2.gz VHLNUVNENUQKFD-GOSISDBHSA-N 0 0 466.590 2.738 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1C[C@@](C)(OC)C1CC1 ZINC001291503091 1064054116 /nfs/dbraw/zinc/05/41/16/1064054116.db2.gz RZGQWIRELBZPSC-BXKMTCNYSA-N 0 0 457.623 2.987 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1C[C@]1(O)CCC[C@@H]1C ZINC001291503382 1064054469 /nfs/dbraw/zinc/05/44/69/1064054469.db2.gz XNSDCOGCKFJHEH-LLJLJFOGSA-N 0 0 457.623 2.723 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001291503617 1064054888 /nfs/dbraw/zinc/05/48/88/1064054888.db2.gz BLKKTTWRJCVXQX-OYHNWAKOSA-N 0 0 467.636 2.675 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC(=O)Nc1c(C)cccc1C ZINC001291504376 1064056278 /nfs/dbraw/zinc/05/62/78/1064056278.db2.gz OSUGAGSVSYQNTD-MRXNPFEDSA-N 0 0 476.647 2.813 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1Cc1cccc(C2OCCO2)c1 ZINC001291504488 1064056291 /nfs/dbraw/zinc/05/62/91/1064056291.db2.gz QXHXMPVPLYLJQZ-QGZVFWFLSA-N 0 0 477.631 2.651 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1Cc1cccc(C2OCCO2)c1 ZINC001291504487 1064056298 /nfs/dbraw/zinc/05/62/98/1064056298.db2.gz QXHXMPVPLYLJQZ-KRWDZBQOSA-N 0 0 477.631 2.651 20 0 JFADRN CC[C@H](C)c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001291506284 1064056834 /nfs/dbraw/zinc/05/68/34/1064056834.db2.gz WUGBDHRGFWFVSN-YESZJQIVSA-N 0 0 455.625 2.672 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1Cc1noc2c1CCCC2 ZINC001291507081 1064057704 /nfs/dbraw/zinc/05/77/04/1064057704.db2.gz LWMRINKGIGFLHZ-HNNXBMFYSA-N 0 0 450.609 2.567 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(N(C)S(=O)(=O)CC)CC2)n1Cc1ncn(-c2ccccc2)n1 ZINC001291507366 1064057993 /nfs/dbraw/zinc/05/79/93/1064057993.db2.gz RIUMSSNZGZSSLK-SFHVURJKSA-N 0 0 486.646 2.671 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(n3c4ccccc4[nH]c3=O)CC2)n1CCS(=O)(=O)N(C)C ZINC001291507755 1064058688 /nfs/dbraw/zinc/05/86/88/1064058688.db2.gz ZTJRFNMVAXPYFM-INIZCTEOSA-N 0 0 475.619 2.580 20 0 JFADRN CC[C@@H](C)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001291508185 1064059686 /nfs/dbraw/zinc/05/96/86/1064059686.db2.gz HZYCBNHYMFWMGC-XLIONFOSSA-N 0 0 459.616 2.586 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC(n3ncc4ccccc43)CC2)n1CCNS(=O)(=O)CC ZINC001291509556 1064060635 /nfs/dbraw/zinc/06/06/35/1064060635.db2.gz GJCNWACFDWXOLD-QGZVFWFLSA-N 0 0 459.620 2.922 20 0 JFADRN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC001296007442 1064060891 /nfs/dbraw/zinc/06/08/91/1064060891.db2.gz STFCEVIHBOVOJH-CIEINVKXSA-N 0 0 454.639 2.701 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(N3CCN(CC)C3=O)CC2)n1CCc1cccc(C(N)=O)c1 ZINC001291509768 1064061317 /nfs/dbraw/zinc/06/13/17/1064061317.db2.gz JIXAZHBRXWRRFU-SFHVURJKSA-N 0 0 467.618 2.860 20 0 JFADRN CC[C@H](C)c1nnc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001291511513 1064063697 /nfs/dbraw/zinc/06/36/97/1064063697.db2.gz RFNOYFSYLRDUBF-FMKFIRIRSA-N 0 0 457.554 2.809 20 0 JFADRN CC[C@H](C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(-n2cncn2)nc1 ZINC001291512578 1064065273 /nfs/dbraw/zinc/06/52/73/1064065273.db2.gz KWDAFUDKOHXXBW-WMZOPIPTSA-N 0 0 467.578 2.919 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001291512753 1064065582 /nfs/dbraw/zinc/06/55/82/1064065582.db2.gz NOPSRDYETBDQRA-KRWDZBQOSA-N 0 0 480.679 2.970 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001291513488 1064065921 /nfs/dbraw/zinc/06/59/21/1064065921.db2.gz AMVJMTLGCLVUJB-OAHLLOKOSA-N 0 0 473.528 2.711 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1CCOc1ncccc1Cl ZINC001291514111 1064066932 /nfs/dbraw/zinc/06/69/32/1064066932.db2.gz MZNJKNJSVJOHHX-HNNXBMFYSA-N 0 0 471.027 2.827 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1CCOc1ncccc1Cl ZINC001291514112 1064066965 /nfs/dbraw/zinc/06/69/65/1064066965.db2.gz MZNJKNJSVJOHHX-OAHLLOKOSA-N 0 0 471.027 2.827 20 0 JFADRN CCN1C[C@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)CC)C[C@H]1C ZINC001296010716 1064069243 /nfs/dbraw/zinc/06/92/43/1064069243.db2.gz RVUFXGWEAYIKLK-MOPGFXCFSA-N 0 0 458.632 2.635 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1Cc1csc(COC)n1 ZINC001291516986 1064070023 /nfs/dbraw/zinc/07/00/23/1064070023.db2.gz NHWYISPOPRYVBJ-OAHLLOKOSA-N 0 0 485.614 2.985 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC(Oc3ncccc3F)CC2)n1CCS(=O)(=O)NC(C)C ZINC001291517658 1064070340 /nfs/dbraw/zinc/07/03/40/1064070340.db2.gz YZEJUMKJSSZIPV-MRXNPFEDSA-N 0 0 468.599 2.701 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 ZINC001291517322 1064070440 /nfs/dbraw/zinc/07/04/40/1064070440.db2.gz SPZMTJXXUJNRDQ-CVDCTZTESA-N 0 0 499.660 2.690 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(OC[C@@H]3CCOC3)CC2)n1CC1CCS(=O)(=O)CC1 ZINC001291518472 1064071175 /nfs/dbraw/zinc/07/11/75/1064071175.db2.gz MFGUMBUPAKPMKL-PKOBYXMFSA-N 0 0 454.637 2.638 20 0 JFADRN CC[C@H](C)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCc1c(OC)cc(OC)cc1OC ZINC001291519921 1064071879 /nfs/dbraw/zinc/07/18/79/1064071879.db2.gz JYOKEUZGOINJIN-DOTOQJQBSA-N 0 0 466.604 2.683 20 0 JFADRN CC[C@@H](C)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCc1c(OC)cc(OC)cc1OC ZINC001291519924 1064071894 /nfs/dbraw/zinc/07/18/94/1064071894.db2.gz JYOKEUZGOINJIN-WBVHZDCISA-N 0 0 466.604 2.683 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@@H](C)Oc1ccccc1OC ZINC001291521106 1064073292 /nfs/dbraw/zinc/07/32/92/1064073292.db2.gz GFQHUMCXSAKVRN-IAGOWNOFSA-N 0 0 470.574 2.788 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC3(COC(=O)N3)CC2)n1CCc1nccc(C(F)(F)F)n1 ZINC001291521173 1064073590 /nfs/dbraw/zinc/07/35/90/1064073590.db2.gz HKWVJWIDUWBZKF-CYBMUJFWSA-N 0 0 453.469 2.922 20 0 JFADRN CC[C@H](C)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1Cc1cccc(OCC(N)=O)c1 ZINC001291524135 1064074699 /nfs/dbraw/zinc/07/46/99/1064074699.db2.gz GUDAGIAUORYMEQ-KRWDZBQOSA-N 0 0 463.586 2.728 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCc3cc(OC)c(OC)c(OC)c3CC2)n1C[C@]1(O)CCOC1 ZINC001291526128 1064075833 /nfs/dbraw/zinc/07/58/33/1064075833.db2.gz VIHNCQCEKTZLFH-VOIUYBSRSA-N 0 0 460.575 2.574 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCc3cc(OC)c(OC)c(OC)c3CC2)n1CCC(=O)N(C)C ZINC001291526276 1064075841 /nfs/dbraw/zinc/07/58/41/1064075841.db2.gz YETRQDUBGKPFPX-MRXNPFEDSA-N 0 0 459.591 2.901 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CCc1ccc(OC)c(OC)c1OC ZINC001291526992 1064075855 /nfs/dbraw/zinc/07/58/55/1064075855.db2.gz MKWHPOCUKBYVFR-MRXNPFEDSA-N 0 0 482.585 2.717 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC[C@H](c3noc(C(C)C)n3)C2)n1CCNC(=O)c1ccn[nH]1 ZINC001291533460 1064077419 /nfs/dbraw/zinc/07/74/19/1064077419.db2.gz DMCAMONDIKYRGF-HOTGVXAUSA-N 0 0 455.567 2.835 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1Cc1cccc(S(=O)(=O)NC)c1 ZINC001291533832 1064077439 /nfs/dbraw/zinc/07/74/39/1064077439.db2.gz JJAIXVOWJLSCBT-IEBWSBKVSA-N 0 0 471.631 2.866 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)NC)C2)n1Cc1ccc(-n2nc(C)cc2C)nc1 ZINC001291531233 1064077517 /nfs/dbraw/zinc/07/75/17/1064077517.db2.gz YUPOLYWVVRDRAE-JXFKEZNVSA-N 0 0 450.591 3.000 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC[C@@H](Cn3nc(C)nc3C)C2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001291536321 1064078070 /nfs/dbraw/zinc/07/80/70/1064078070.db2.gz OJLOSEUVYWROQF-DBVUQKKJSA-N 0 0 463.652 2.741 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CCC(=O)Nc1ccccc1 ZINC001291536428 1064078680 /nfs/dbraw/zinc/07/86/80/1064078680.db2.gz 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CCC(CC)NC(=O)c1nnc(N2CC[C@@H](COC)C2)n1CC(=O)Nc1c(C)cccc1C ZINC001292056084 1064725944 /nfs/dbraw/zinc/72/59/44/1064725944.db2.gz QSDYGAGDEOUETL-GOSISDBHSA-N 0 0 456.591 2.925 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC(CNC(C)=O)CC2)n1CC1CCC(OC)CC1 ZINC001292056308 1064726374 /nfs/dbraw/zinc/72/63/74/1064726374.db2.gz UOZWVIMOGMLIIB-UHFFFAOYSA-N 0 0 462.639 2.754 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC(CO)(Cc3ccccc3)CC2)n1Cc1ccn(C)n1 ZINC001292056519 1064726718 /nfs/dbraw/zinc/72/67/18/1064726718.db2.gz XVXSJHDPINBSRF-UHFFFAOYSA-N 0 0 479.629 2.800 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CC1(C)CCC1 ZINC001292056380 1064726745 /nfs/dbraw/zinc/72/67/45/1064726745.db2.gz WXOMARGXHQYURG-UHFFFAOYSA-N 0 0 484.649 2.767 20 0 JFADRN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC001292060257 1064729046 /nfs/dbraw/zinc/72/90/46/1064729046.db2.gz YRQKJKQSQLYVJR-YLJYHZDGSA-N 0 0 454.527 2.874 20 0 JFADRN 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ZINC001292073819 1064752432 /nfs/dbraw/zinc/75/24/32/1064752432.db2.gz JLURKJQILLDBOR-UHFFFAOYSA-N 0 0 472.544 2.799 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@@]1(C)CN(C)C1=O ZINC001292074130 1064753354 /nfs/dbraw/zinc/75/33/54/1064753354.db2.gz LUHDCFXBYYDDJS-HSZRJFAPSA-N 0 0 458.994 2.891 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(O)cc3C2)n1C[C@H](C(C)C)N1CCOCC1 ZINC001292075912 1064756348 /nfs/dbraw/zinc/75/63/48/1064756348.db2.gz UZNZNXIVGDCSKJ-HSZRJFAPSA-N 0 0 484.645 2.822 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)nc3C2)n1CCN1CCSCC1 ZINC001292075865 1064756429 /nfs/dbraw/zinc/75/64/29/1064756429.db2.gz SIBHFSNJIRKICC-UHFFFAOYSA-N 0 0 478.066 2.856 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1Cc1ccc(Cl)cc1OC ZINC001292076181 1064756726 /nfs/dbraw/zinc/75/67/26/1064756726.db2.gz LVNRXTCAPDMIOE-QHCPKHFHSA-N 0 0 474.993 2.623 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccccc3C2)n1CCS(=O)(=O)CC1CC1 ZINC001292076111 1064757211 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BHIXDRUXSCQGKK-FUPPJEDESA-N 0 0 453.539 2.831 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1CC[C@@](C)(O)c1ccccc1 ZINC001292079386 1064762656 /nfs/dbraw/zinc/76/26/56/1064762656.db2.gz RLZWOJZKSIJOEE-XLNZFTOWSA-N 0 0 471.558 2.608 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1CC[C@@](C)(O)c1ccccc1 ZINC001292079383 1064762769 /nfs/dbraw/zinc/76/27/69/1064762769.db2.gz RLZWOJZKSIJOEE-AXHZCLLHSA-N 0 0 471.558 2.608 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCC[C@@H]32)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001292079679 1064763108 /nfs/dbraw/zinc/76/31/08/1064763108.db2.gz SVKKSUMSJUTMPU-RYQLBKOJSA-N 0 0 472.556 2.838 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC=C(Br)C2)n1CC(C)(C)N1CCOCC1 ZINC001292080548 1064763561 /nfs/dbraw/zinc/76/35/61/1064763561.db2.gz YVTHQEHTFBYAEN-UHFFFAOYSA-N 0 0 483.455 2.796 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1Cc1cc(F)ccc1OC ZINC001292082651 1064765213 /nfs/dbraw/zinc/76/52/13/1064765213.db2.gz FCJJAOWGPOAKPA-MRXNPFEDSA-N 0 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/nfs/dbraw/zinc/32/67/39/1065326739.db2.gz ITIVVKGNFVYIFA-RTWAWAEBSA-N 0 0 482.629 2.770 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCS(C)(=O)=O ZINC001292604225 1065328420 /nfs/dbraw/zinc/32/84/20/1065328420.db2.gz AZEZKJYSQRJJPR-IBGZPJMESA-N 0 0 491.658 2.595 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCC[C@H](CNC(C)=O)C2)n1CC(C)(C)C(=O)NC ZINC001292607069 1065333049 /nfs/dbraw/zinc/33/30/49/1065333049.db2.gz VZJBIBOOZMKXDD-LJQANCHMSA-N 0 0 470.618 2.544 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@](C)(O)[C@H](C)CC ZINC001292608524 1065334578 /nfs/dbraw/zinc/33/45/78/1065334578.db2.gz DLZCZLLBURLRJC-NTKDMRAZSA-N 0 0 493.674 2.688 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCCC[C@@H](SC)C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001292609540 1065335993 /nfs/dbraw/zinc/33/59/93/1065335993.db2.gz LMRFRXNTTWUZNK-AUSIDOKSSA-N 0 0 494.683 2.691 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCCN(CC)C(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 ZINC001292609520 1065336049 /nfs/dbraw/zinc/33/60/49/1065336049.db2.gz KXIVGIQIYDRQJK-NRFANRHFSA-N 0 0 482.629 2.737 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCCC[C@@H](SC)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001292609543 1065336084 /nfs/dbraw/zinc/33/60/84/1065336084.db2.gz LMRFRXNTTWUZNK-XXBNENTESA-N 0 0 494.683 2.691 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCN(C(=O)NC)CC2)n1CCCOC(F)(F)F ZINC001292609902 1065337501 /nfs/dbraw/zinc/33/75/01/1065337501.db2.gz IWXUZQUUFPUXKS-UHFFFAOYSA-N 0 0 470.496 2.807 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCN(C(C)C)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001292610439 1065338000 /nfs/dbraw/zinc/33/80/00/1065338000.db2.gz POMRSERBBWATJY-HXUWFJFHSA-N 0 0 475.659 2.775 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCCN(C(C)=O)CC2)n1Cc1cnccc1OC ZINC001292610516 1065338557 /nfs/dbraw/zinc/33/85/57/1065338557.db2.gz TVSHIWKKTOTVJT-UHFFFAOYSA-N 0 0 464.570 2.930 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1C[C@H](C)OC ZINC001292610664 1065339179 /nfs/dbraw/zinc/33/91/79/1065339179.db2.gz SWXYQQQYRWXDFW-IBGZPJMESA-N 0 0 464.570 2.812 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1Cc1ccsc1 ZINC001292610857 1065339915 /nfs/dbraw/zinc/33/99/15/1065339915.db2.gz VWYBFRKWRTYMHC-UHFFFAOYSA-N 0 0 496.637 2.703 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCN(C(=O)COC)CC2)n1CC1(CC)CCOCC1 ZINC001292610927 1065339950 /nfs/dbraw/zinc/33/99/50/1065339950.db2.gz XFUQNYTUBUBVND-UHFFFAOYSA-N 0 0 485.629 2.921 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCN(C(C)=O)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001292610928 1065340000 /nfs/dbraw/zinc/34/00/00/1065340000.db2.gz XOHYADMFGFQJTC-IBGZPJMESA-N 0 0 494.562 2.972 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCNC(=O)[C@@H]2CC)n1Cc1c(C)nn(C)c1C ZINC001292613968 1065341445 /nfs/dbraw/zinc/34/14/45/1065341445.db2.gz APEZGUCTINRFQD-FQEVSTJZSA-N 0 0 451.575 2.533 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC(CC)(CC)OC ZINC001292614244 1065343151 /nfs/dbraw/zinc/34/31/51/1065343151.db2.gz FLDWGLIAACZUGU-LJQANCHMSA-N 0 0 456.591 2.839 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001292614565 1065344420 /nfs/dbraw/zinc/34/44/20/1065344420.db2.gz LGCYKTGSLFORSH-AZUAARDMSA-N 0 0 484.601 2.659 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1CC1(OC)CCCCC1 ZINC001292614832 1065345776 /nfs/dbraw/zinc/34/57/76/1065345776.db2.gz OASAUEYGPMAHAT-NRFANRHFSA-N 0 0 471.602 2.720 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CCCN(C)CC(F)(F)F ZINC001292614785 1065345853 /nfs/dbraw/zinc/34/58/53/1065345853.db2.gz NAHUKSUGYSKTIP-GOSISDBHSA-N 0 0 496.534 2.945 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccoc1 ZINC001292614888 1065346321 /nfs/dbraw/zinc/34/63/21/1065346321.db2.gz KQAVONGWNGOGEP-KRWDZBQOSA-N 0 0 459.572 2.531 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCN(Cc3cc(C)no3)CC2)n1CC(C)(C)O ZINC001292614903 1065346363 /nfs/dbraw/zinc/34/63/63/1065346363.db2.gz LKBWTERHOQZLKE-UHFFFAOYSA-N 0 0 454.575 2.809 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@H](C)SC ZINC001292615093 1065346928 /nfs/dbraw/zinc/34/69/28/1065346928.db2.gz NHORLCJMCCQDKB-DLBZAZTESA-N 0 0 467.661 2.641 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@]1(C)COCCO1 ZINC001292615261 1065347855 /nfs/dbraw/zinc/34/78/55/1065347855.db2.gz QWKDMIDQWPMFDI-GHTZIAJQSA-N 0 0 470.492 2.993 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H]1CC[C@@H](F)C1 ZINC001292615216 1065347878 /nfs/dbraw/zinc/34/78/78/1065347878.db2.gz PDKUXGVPGMYHFI-PZJWPPBQSA-N 0 0 472.609 2.768 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@]1(O)CCO[C@H]1C ZINC001292615605 1065348428 /nfs/dbraw/zinc/34/84/28/1065348428.db2.gz UFXSLRSTTZAXLK-XERREHJYSA-N 0 0 470.492 2.727 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H]1COCCO1 ZINC001292615773 1065349511 /nfs/dbraw/zinc/34/95/11/1065349511.db2.gz RXVOREDSCORQGT-GOSISDBHSA-N 0 0 469.508 2.519 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1CCC(=O)NC(C)C ZINC001292616218 1065349920 /nfs/dbraw/zinc/34/99/20/1065349920.db2.gz ZMXZFOVVVHGEBK-SANMLTNESA-N 0 0 495.628 2.820 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCO[C@@H](c3noc(C)n3)C2)n1C[C@](C)(O)CC ZINC001292617337 1065352760 /nfs/dbraw/zinc/35/27/60/1065352760.db2.gz BPNXONAQTZJKJO-AUSIDOKSSA-N 0 0 456.547 2.850 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CCC(C)(F)F ZINC001292618833 1065354660 /nfs/dbraw/zinc/35/46/60/1065354660.db2.gz NTELDKUOTPUOII-SFHVURJKSA-N 0 0 451.518 2.806 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCSC(C)(C)C2)n1CC(=O)N1CCOCC1 ZINC001292619463 1065355570 /nfs/dbraw/zinc/35/55/70/1065355570.db2.gz UEKOGMUKUVUCHI-UHFFFAOYSA-N 0 0 459.616 2.610 20 0 JFADRN CCc1ccccc1OCc1nnc(N2CCS(=O)CC2)n1C[C@H]1CSCCS1 ZINC001292619487 1065355588 /nfs/dbraw/zinc/35/55/88/1065355588.db2.gz UWQZLOGNOBDWAM-KRWDZBQOSA-N 0 0 452.671 2.837 20 0 JFADRN COc1ccc(C[C@H](C)N(C)C(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)cc1 ZINC001292621257 1065357720 /nfs/dbraw/zinc/35/77/20/1065357720.db2.gz KINIQKKGNRYCJN-JTSKRJEESA-N 0 0 450.539 2.634 20 0 JFADRN CCc1cnc(CCn2c(C(=O)NC(C)C)nnc2N2CCC(O)(C(F)(F)F)CC2)s1 ZINC001292623786 1065359810 /nfs/dbraw/zinc/35/98/10/1065359810.db2.gz DQHMKRNDINUOKC-UHFFFAOYSA-N 0 0 460.526 2.572 20 0 JFADRN CCc1cnc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)s1 ZINC001292626113 1065362452 /nfs/dbraw/zinc/36/24/52/1065362452.db2.gz FFAZQIXLEIGXBU-NFAWXSAZSA-N 0 0 493.577 2.598 20 0 JFADRN CCc1cnc(CCn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)s1 ZINC001292626734 1065363442 /nfs/dbraw/zinc/36/34/42/1065363442.db2.gz QKXFSVMCCNETKK-BZUAXINKSA-N 0 0 455.650 2.692 20 0 JFADRN CCc1cnc(CCn2c([C@@H]3CCOC3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)s1 ZINC001292626765 1065363821 /nfs/dbraw/zinc/36/38/21/1065363821.db2.gz QZMWGGYPXAPLNX-UONOGXRCSA-N 0 0 472.537 2.548 20 0 JFADRN CCc1cnc(CCn2c(CC)nnc2N2CCN(CC(=O)NC3CCC(C)CC3)CC2)s1 ZINC001292630139 1065365738 /nfs/dbraw/zinc/36/57/38/1065365738.db2.gz CFLDAVPDRMYWBL-UHFFFAOYSA-N 0 0 473.691 2.919 20 0 JFADRN CCc1cnc(CCn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](C(=O)NC)C2)s1 ZINC001292630074 1065365777 /nfs/dbraw/zinc/36/57/77/1065365777.db2.gz BPWYWJXSUPYSRL-OAHLLOKOSA-N 0 0 459.645 2.858 20 0 JFADRN CCc1cnc(CCn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](C(=O)NC)C2)s1 ZINC001292630071 1065365806 /nfs/dbraw/zinc/36/58/06/1065365806.db2.gz BPWYWJXSUPYSRL-HNNXBMFYSA-N 0 0 459.645 2.858 20 0 JFADRN CCc1cnc(CCn2c(Cc3ccccn3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)s1 ZINC001292630986 1065366322 /nfs/dbraw/zinc/36/63/22/1065366322.db2.gz JIZNDHCCVVSRIH-HZPDHXFCSA-N 0 0 462.645 2.783 20 0 JFADRN C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(CCc2ccccc2)Cc2cccnc2)cc1 ZINC001292631771 1065367249 /nfs/dbraw/zinc/36/72/49/1065367249.db2.gz CGQVRKYVBGPWCF-LJQANCHMSA-N 0 0 453.564 2.626 20 0 JFADRN C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(CCc2ccccc2)Cc2cccnc2)cc1 ZINC001292631770 1065367286 /nfs/dbraw/zinc/36/72/86/1065367286.db2.gz CGQVRKYVBGPWCF-IBGZPJMESA-N 0 0 453.564 2.626 20 0 JFADRN CCc1cnc(CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(=O)N(C)C)c2)s1 ZINC001292632183 1065367703 /nfs/dbraw/zinc/36/77/03/1065367703.db2.gz DTROTWKJRLZRJH-UHFFFAOYSA-N 0 0 481.626 2.920 20 0 JFADRN CCc1cnc(CCn2c(N3CCC[C@H](CC(N)=O)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001292632218 1065367801 /nfs/dbraw/zinc/36/78/01/1065367801.db2.gz FCFFVPBQJHWHQR-HXOBKFHXSA-N 0 0 476.647 2.672 20 0 JFADRN CCc1cnc(CCn2c(N3CCC[C@@H](C(=O)NC)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001292632372 1065368264 /nfs/dbraw/zinc/36/82/64/1065368264.db2.gz IAHOMUNKVBPUPS-HXOBKFHXSA-N 0 0 476.647 2.543 20 0 JFADRN CCc1cnc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)c2c(C)noc2C)s1 ZINC001292633382 1065370808 /nfs/dbraw/zinc/37/08/08/1065370808.db2.gz CVGVKBNLGHGTII-GXTWGEPZSA-N 0 0 481.648 2.952 20 0 JFADRN CCc1cnc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCS2)s1 ZINC001292633781 1065371280 /nfs/dbraw/zinc/37/12/80/1065371280.db2.gz LNHDZEHHHQXENZ-ZFWWWQNUSA-N 0 0 458.679 2.829 20 0 JFADRN CCc1cnc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccncc2Cl)s1 ZINC001292633533 1065371396 /nfs/dbraw/zinc/37/13/96/1065371396.db2.gz HUSRGFVDPODEBU-GFCCVEGCSA-N 0 0 470.024 2.640 20 0 JFADRN CCc1cnc(CN(C)c2nnc(C(=O)NC(C)C)n2CCn2cc(Br)cn2)s1 ZINC001292634038 1065371765 /nfs/dbraw/zinc/37/17/65/1065371765.db2.gz OIBUXWCXOOJHSM-UHFFFAOYSA-N 0 0 481.424 2.731 20 0 JFADRN CCc1cnc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCC2CC2)s1 ZINC001292634273 1065372281 /nfs/dbraw/zinc/37/22/81/1065372281.db2.gz NNWWKAIBRGOHMN-UHFFFAOYSA-N 0 0 488.639 2.530 20 0 JFADRN CCS(=O)(=O)NCc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1 ZINC001292636672 1065374039 /nfs/dbraw/zinc/37/40/39/1065374039.db2.gz WIQSOCXGGTUZII-UHFFFAOYSA-N 0 0 450.992 2.783 20 0 JFADRN COc1ccc(CC[C@@H]2CCCCN2C(=O)c2cc(N3CCNC(=O)C3)ccn2)cc1OC ZINC001292637031 1065374452 /nfs/dbraw/zinc/37/44/52/1065374452.db2.gz ZOMCOEYMYDOALC-IBGZPJMESA-N 0 0 452.555 2.663 20 0 JFADRN CCc1cnc(CN(C)c2nnc(-c3cnccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)s1 ZINC001292639723 1065375540 /nfs/dbraw/zinc/37/55/40/1065375540.db2.gz IILXBROYANIGDT-INIZCTEOSA-N 0 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CCc1cnc(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(C(=O)c3cccc(F)c3)CC2)s1 ZINC001292649847 1065387545 /nfs/dbraw/zinc/38/75/45/1065387545.db2.gz ZNNCVUBZIONAGD-UHFFFAOYSA-N 0 0 499.616 2.975 20 0 JFADRN CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCC(Nc3ccccc3Cl)CC2)cc1 ZINC001292650655 1065388143 /nfs/dbraw/zinc/38/81/43/1065388143.db2.gz SKHWVIQPNQOPEV-UHFFFAOYSA-N 0 0 451.976 2.670 20 0 JFADRN CCc1cnc(Cn2c([C@@H](C)OCCOC)nnc2N2CCC(O)(C(F)(F)F)CC2)s1 ZINC001292651123 1065388202 /nfs/dbraw/zinc/38/82/02/1065388202.db2.gz FUTSXHZEZXLPFL-CYBMUJFWSA-N 0 0 463.526 2.963 20 0 JFADRN CCc1cnc(Cn2c([C@H](C)OCCOC)nnc2N2CCC(N(C)C(C)=O)CC2)s1 ZINC001292653527 1065389211 /nfs/dbraw/zinc/38/92/11/1065389211.db2.gz YBFBQUAXWVFCIA-HNNXBMFYSA-N 0 0 450.609 2.516 20 0 JFADRN CCc1cnc(Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)CCNC(=O)C(C)C)s1 ZINC001292655617 1065389808 /nfs/dbraw/zinc/38/98/08/1065389808.db2.gz JVTHCGLKBVNCBE-UHFFFAOYSA-N 0 0 470.599 2.992 20 0 JFADRN CCc1cnc(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)CC(=O)NC(C)C)s1 ZINC001292656050 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CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)C1 ZINC001292673632 1065413486 /nfs/dbraw/zinc/41/34/86/1065413486.db2.gz BJRUCKKXVKJBCA-OAQYLSRUSA-N 0 0 459.587 2.706 20 0 JFADRN CCc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC=C(C(C)(C)C)CC2)o1 ZINC001292678065 1065417795 /nfs/dbraw/zinc/41/77/95/1065417795.db2.gz CCJQZZZRCKYDNJ-HNNXBMFYSA-N 0 0 450.609 2.978 20 0 JFADRN CCc1nc(C)c(Cn2c([C@H](C)OCCOC)nnc2N2CCN(c3ccc(O)cc3)CC2)o1 ZINC001292679462 1065419910 /nfs/dbraw/zinc/41/99/10/1065419910.db2.gz CFBZGPKEBJHKPP-SFHVURJKSA-N 0 0 470.574 2.941 20 0 JFADRN CCc1nc(C)c(Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCC(C(=O)NC)CC2)o1 ZINC001292679883 1065420588 /nfs/dbraw/zinc/42/05/88/1065420588.db2.gz CYTWYIWRFJJDPW-UHFFFAOYSA-N 0 0 498.584 2.840 20 0 JFADRN CCc1nc(C)c(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)o1 ZINC001292680259 1065420602 /nfs/dbraw/zinc/42/06/02/1065420602.db2.gz OWYNXXNZSGIQAU-CALCHBBNSA-N 0 0 487.605 2.627 20 0 JFADRN CCc1nc(C)c([C@@H](C)N(C)c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)CC)s1 ZINC001292680490 1065421196 /nfs/dbraw/zinc/42/11/96/1065421196.db2.gz VETRGVNRCQJPGN-HUUCEWRRSA-N 0 0 456.638 2.594 20 0 JFADRN CCc1nc(C)c(Cn2c(-c3cc(Br)cn3C)nnc2N2CC(=O)N(C)C[C@H]2C)o1 ZINC001292682011 1065423283 /nfs/dbraw/zinc/42/32/83/1065423283.db2.gz NJCZSOXQVDUMQW-GFCCVEGCSA-N 0 0 476.379 2.620 20 0 JFADRN CCc1nc(C)c(Cn2c(-c3ccccc3OC)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)o1 ZINC001292683979 1065426312 /nfs/dbraw/zinc/42/63/12/1065426312.db2.gz CPCNCUSOWNCOIM-UHFFFAOYSA-N 0 0 488.614 2.721 20 0 JFADRN CCc1nc(C)c(Cn2c(-c3ccccc3OC)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)o1 ZINC001292684249 1065426859 /nfs/dbraw/zinc/42/68/59/1065426859.db2.gz JMOKZRXMVTYRPX-KRWDZBQOSA-N 0 0 488.614 2.626 20 0 JFADRN CCc1nc(C)c(Cn2c(-c3ccccc3OC)nnc2N2CCN(CC(=O)N[C@@H](C)CC)CC2)o1 ZINC001292684552 1065427652 /nfs/dbraw/zinc/42/76/52/1065427652.db2.gz UGXGLDBCTWHQOY-SFHVURJKSA-N 0 0 495.628 2.898 20 0 JFADRN CCc1nc(C)c(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)o1 ZINC001292685958 1065428908 /nfs/dbraw/zinc/42/89/08/1065428908.db2.gz DRNHWNIAPJWDRL-MRXNPFEDSA-N 0 0 473.578 2.630 20 0 JFADRN CCc1nc(C)c(Cn2c([C@@H]3CCCCO3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)o1 ZINC001292687771 1065432419 /nfs/dbraw/zinc/43/24/19/1065432419.db2.gz KMXGDHRYZTWODX-IRXDYDNUSA-N 0 0 451.593 2.830 20 0 JFADRN CCc1nc(C)c(Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(C)CC(=O)NC(C)(C)C)o1 ZINC001292688090 1065433258 /nfs/dbraw/zinc/43/32/58/1065433258.db2.gz XJQSIFRUMZQIDN-UHFFFAOYSA-N 0 0 478.557 2.852 20 0 JFADRN CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCCc2coc(-c3ccccc3)n2)C1=O ZINC001292689428 1065436246 /nfs/dbraw/zinc/43/62/46/1065436246.db2.gz YXBWFBNYUUFTMH-LJQANCHMSA-N 0 0 456.543 2.764 20 0 JFADRN CCc1nc(C)c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC)[C@H](C)C2CCC2)o1 ZINC001292689527 1065436719 /nfs/dbraw/zinc/43/67/19/1065436719.db2.gz ZXBFLMUAJVYEMN-VQIMIIECSA-N 0 0 480.635 2.533 20 0 JFADRN 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CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOC(C)C)C1 ZINC001286847326 1061156347 /nfs/dbraw/zinc/15/63/47/1061156347.db2.gz WIUQZKHFFVMNFB-HXUWFJFHSA-N 0 0 456.591 2.877 20 0 JFADRN CC(=O)N1CC[C@@H](CN(C)c2nnc(CC3CC3)n2CC2CCN(CC(F)(F)F)CC2)C1 ZINC001286847511 1061157865 /nfs/dbraw/zinc/15/78/65/1061157865.db2.gz AOKYMWLZUWKOSV-IBGZPJMESA-N 0 0 456.557 2.810 20 0 JFADRN CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccn3C)n2Cc2cccnc2OCC(F)F)C1 ZINC001286848251 1061163845 /nfs/dbraw/zinc/16/38/45/1061163845.db2.gz ONXNUMIKHVGHMO-KRWDZBQOSA-N 0 0 473.528 2.675 20 0 JFADRN CC(=O)N1CC[C@H](CN(C)c2nnc(CN3CCCC3=O)n2Cc2cccc(C(F)F)c2)C1 ZINC001286848586 1061165787 /nfs/dbraw/zinc/16/57/87/1061165787.db2.gz HZCISVUGQXCQRK-GOSISDBHSA-N 0 0 460.529 2.691 20 0 JFADRN CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3csc(C)n3)n2CC(=O)N(C)Cc2ccccc2)C1 ZINC001286849113 1061169838 /nfs/dbraw/zinc/16/98/38/1061169838.db2.gz LKLFOMKIVINKNF-NRFANRHFSA-N 0 0 495.653 2.597 20 0 JFADRN 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CC(=O)N1CCC(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCOC[C@H]2C)CC1 ZINC001286854297 1061203356 /nfs/dbraw/zinc/20/33/56/1061203356.db2.gz WLZWNMABZWYQQD-NQIIRXRSSA-N 0 0 490.649 2.876 20 0 JFADRN CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2nnc(C)s2)C1 ZINC001286854468 1061204019 /nfs/dbraw/zinc/20/40/19/1061204019.db2.gz LIOPRBDYNYTJPE-NLWGTHIKSA-N 0 0 475.663 2.904 20 0 JFADRN CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccccc3F)n2CCn2cc(Cl)cn2)C1 ZINC001286854768 1061205695 /nfs/dbraw/zinc/20/56/95/1061205695.db2.gz RGMFBLZLGFBOCO-KRWDZBQOSA-N 0 0 475.956 2.851 20 0 JFADRN CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H]3CCCO3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001286854736 1061205816 /nfs/dbraw/zinc/20/58/16/1061205816.db2.gz QJZZMRVTNWODOK-ZWKOTPCHSA-N 0 0 464.611 2.738 20 0 JFADRN CC(=O)N1CC[C@H](CN(C)c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)C1 ZINC001286854907 1061206824 /nfs/dbraw/zinc/20/68/24/1061206824.db2.gz VVESTZBBRRCEPY-IEBWSBKVSA-N 0 0 480.034 2.944 20 0 JFADRN CC(=O)N1CCC(Cn2c(Cc3ccsc3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286854996 1061207469 /nfs/dbraw/zinc/20/74/69/1061207469.db2.gz BOTQMSJTKPCHNG-KDURUIRLSA-N 0 0 474.675 2.734 20 0 JFADRN CC(=O)N1CCC(Cn2c(Cc3cccnc3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001286855386 1061208558 /nfs/dbraw/zinc/20/85/58/1061208558.db2.gz JJKOJSSOOBTACE-QFIPXVFZSA-N 0 0 497.644 2.968 20 0 JFADRN CC(=O)N1CCC(Cn2c(Cc3ccncc3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001286855264 1061208645 /nfs/dbraw/zinc/20/86/45/1061208645.db2.gz IBULYLCSFMJAKF-QFIPXVFZSA-N 0 0 497.644 2.873 20 0 JFADRN CC(=O)N1CCC(Cn2c(CCc3ccccc3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001286855647 1061209811 /nfs/dbraw/zinc/20/98/11/1061209811.db2.gz NJPXNWDPXBGPPA-UHFFFAOYSA-N 0 0 454.619 2.673 20 0 JFADRN CC(=O)N1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccoc2C)C1 ZINC001286855665 1061210164 /nfs/dbraw/zinc/21/01/64/1061210164.db2.gz DHTTYAVBKUNHPR-GOSISDBHSA-N 0 0 451.531 2.722 20 0 JFADRN 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CC(=O)N1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(CCC(F)(F)F)CC2CC2)C1 ZINC001286856399 1061213047 /nfs/dbraw/zinc/21/30/47/1061213047.db2.gz IKGHLIMOJJJNFB-QGZVFWFLSA-N 0 0 458.529 2.844 20 0 JFADRN CC(=O)N1CCC(Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001286856562 1061213453 /nfs/dbraw/zinc/21/34/53/1061213453.db2.gz YRMALSXFAKXHHA-UHFFFAOYSA-N 0 0 496.637 2.562 20 0 JFADRN CC(=O)N1CCC(Cn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2ncnn2CC(F)F)CC1 ZINC001286856564 1061213618 /nfs/dbraw/zinc/21/36/18/1061213618.db2.gz YTXTZDAHMYPIPG-UHFFFAOYSA-N 0 0 490.534 2.760 20 0 JFADRN CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCCC2(C)C)C1 ZINC001286856812 1061215349 /nfs/dbraw/zinc/21/53/49/1061215349.db2.gz KPBOZARNOZPNTE-LJQANCHMSA-N 0 0 488.658 2.833 20 0 JFADRN CC(=O)N1CCC[C@H](Cn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001286857974 1061219121 /nfs/dbraw/zinc/21/91/21/1061219121.db2.gz XGMXAIKJGUOZGS-AEFFLSMTSA-N 0 0 493.699 2.871 20 0 JFADRN 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CC(=O)Nc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC(CC(=O)N(C)C)CC2)cn1 ZINC001286897348 1061382104 /nfs/dbraw/zinc/38/21/04/1061382104.db2.gz YLCGFIRYIXQTFG-UHFFFAOYSA-N 0 0 476.585 2.745 20 0 JFADRN Cc1cc(CN2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)Oc3ccc(C)cc3)CC2)no1 ZINC001289760402 1061382393 /nfs/dbraw/zinc/38/23/93/1061382393.db2.gz UTNBTHHNBCHWIH-FQEVSTJZSA-N 0 0 481.601 2.811 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(-c3cccn3C)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)cn1 ZINC001286897543 1061383105 /nfs/dbraw/zinc/38/31/05/1061383105.db2.gz MDOMBOAGGQGUSP-DYVFJYSZSA-N 0 0 463.464 2.841 20 0 JFADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nnc([C@H]4CCC(=O)N4)n3CCC(C)(C)O)C2)cc1 ZINC001289761476 1061383897 /nfs/dbraw/zinc/38/38/97/1061383897.db2.gz ZWHCDKBOQAXQJX-UYAOXDASSA-N 0 0 483.617 2.737 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H](CC(N)=O)C2)c1 ZINC001289763522 1061385418 /nfs/dbraw/zinc/38/54/18/1061385418.db2.gz MXDVWZYKSZBJDU-MRXNPFEDSA-N 0 0 499.522 2.975 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCS[C@@H](C)C2)cc1 ZINC001289764310 1061385956 /nfs/dbraw/zinc/38/59/56/1061385956.db2.gz SUBNOBGOZIIWNE-SQNIBIBYSA-N 0 0 450.630 2.898 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001289764842 1061386292 /nfs/dbraw/zinc/38/62/92/1061386292.db2.gz ZXCIYECRIQSHQF-BHIFYINESA-N 0 0 484.645 2.722 20 0 JFADRN Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)CN1CCCCC(=O)C1=O)C(F)(F)F ZINC001289765836 1061386361 /nfs/dbraw/zinc/38/63/61/1061386361.db2.gz IHDGWZWPPRDREA-KRWDZBQOSA-N 0 0 450.461 2.833 20 0 JFADRN Cc1nc(Cc2nnc(N3CCN(CC(=O)N(C)C)CC3)n2C[C@@H](C)Oc2ccc(C)cc2)cs1 ZINC001289764830 1061386451 /nfs/dbraw/zinc/38/64/51/1061386451.db2.gz ZSUNIIGFPNXFDG-LJQANCHMSA-N 0 0 497.669 2.620 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c(C3CC3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC001289765843 1061386558 /nfs/dbraw/zinc/38/65/58/1061386558.db2.gz BJWUUTWJDVDAID-UHFFFAOYSA-N 0 0 469.558 2.974 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(-c3cnccn3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC001286898612 1061386789 /nfs/dbraw/zinc/38/67/89/1061386789.db2.gz HGQYYUQMULTNCM-UHFFFAOYSA-N 0 0 492.481 2.764 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)c1 ZINC001286898879 1061387385 /nfs/dbraw/zinc/38/73/85/1061387385.db2.gz KFBXZJMZYREKCM-INIZCTEOSA-N 0 0 493.534 2.594 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(-c3ccccc3Cl)nnc2N(C)CCN2CCOCC2)cn1 ZINC001286898995 1061387815 /nfs/dbraw/zinc/38/78/15/1061387815.db2.gz ZVNUVBGNYCHIJF-UHFFFAOYSA-N 0 0 469.977 2.769 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC001289766827 1061387820 /nfs/dbraw/zinc/38/78/20/1061387820.db2.gz LYXBQPYRJANLFK-BMFZPTHFSA-N 0 0 469.558 2.939 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)c2nccs2)c1 ZINC001286899297 1061388263 /nfs/dbraw/zinc/38/82/63/1061388263.db2.gz QQCYHZHABWKQLY-KDOFPFPSSA-N 0 0 453.572 2.932 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CC[C@](C)(C(N)=O)C3)n2Cc2cc(C)ccc2OC(F)F)n1 ZINC001289769154 1061390117 /nfs/dbraw/zinc/39/01/17/1061390117.db2.gz NTNKMQXSYZOECL-QHCPKHFHSA-N 0 0 473.528 2.800 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC001289769339 1061390468 /nfs/dbraw/zinc/39/04/68/1061390468.db2.gz YHMYVRVMQFGDHS-HRCADAONSA-N 0 0 472.558 2.998 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@H]2CCn3ccnc3C2)cc1 ZINC001289769430 1061390527 /nfs/dbraw/zinc/39/05/27/1061390527.db2.gz PTACKBVQBVPQKN-AQNXPRMDSA-N 0 0 486.642 2.882 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC001289769334 1061390579 /nfs/dbraw/zinc/39/05/79/1061390579.db2.gz YHMYVRVMQFGDHS-ARFHVFGLSA-N 0 0 472.558 2.998 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c(Cc3ccsc3)nnc2N2CCN(S(C)(=O)=O)CC2)c1 ZINC001289769518 1061391010 /nfs/dbraw/zinc/39/10/10/1061391010.db2.gz ZLEWQRILXATQGN-UHFFFAOYSA-N 0 0 497.593 2.970 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3cc(-c4ccccc4)on3)n2CCC(=O)N(C)C)CC1 ZINC001286900403 1061391839 /nfs/dbraw/zinc/39/18/39/1061391839.db2.gz FFJDYVDJINABMC-UHFFFAOYSA-N 0 0 479.585 2.962 20 0 JFADRN CC(C)NS(=O)(=O)c1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)ccc1F ZINC001289770877 1061392107 /nfs/dbraw/zinc/39/21/07/1061392107.db2.gz KKMBODQPRSSBRF-KRWDZBQOSA-N 0 0 455.552 2.642 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(C(C)(C)C)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 ZINC001286901096 1061393889 /nfs/dbraw/zinc/39/38/89/1061393889.db2.gz ASARKIZGAGPCGA-UEKLYDJUSA-N 0 0 494.706 2.663 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CCN2CCOCC2(C)C)cc1C ZINC001289773080 1061394009 /nfs/dbraw/zinc/39/40/09/1061394009.db2.gz BENYFRDGBNVBCH-UHFFFAOYSA-N 0 0 486.661 2.936 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H]2CC[C@@]3(CCOC3)O2)cc1C ZINC001289772556 1061394064 /nfs/dbraw/zinc/39/40/64/1061394064.db2.gz JOZMMAZEMYFFGC-IZIIKQMZSA-N 0 0 492.642 2.681 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCOC(C)(C)C)CC1 ZINC001286901362 1061394682 /nfs/dbraw/zinc/39/46/82/1061394682.db2.gz RUJISNVVDIYSPV-UHFFFAOYSA-N 0 0 495.628 2.891 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)C)n2C[C@H]2CCC3(C2)OCCO3)cc1 ZINC001289773273 1061394583 /nfs/dbraw/zinc/39/45/83/1061394583.db2.gz COXSVIPSWHMCDN-IBGZPJMESA-N 0 0 457.575 2.670 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001286901628 1061395164 /nfs/dbraw/zinc/39/51/64/1061395164.db2.gz FTHYWNALOLEPSO-LVISCBDBSA-N 0 0 486.592 2.919 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCO[C@H]2C(C)C)cc1 ZINC001289773884 1061395564 /nfs/dbraw/zinc/39/55/64/1061395564.db2.gz GTUVOGBXPQACEE-KNKQGSTJSA-N 0 0 462.616 2.850 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2C[C@H]2CCC[C@H](O)C2)cc1 ZINC001289773983 1061395902 /nfs/dbraw/zinc/39/59/02/1061395902.db2.gz OVBDHZIBDMCCMN-FPOVZHCZSA-N 0 0 491.658 2.577 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nccn2C(F)F)CC1 ZINC001286902161 1061396099 /nfs/dbraw/zinc/39/60/99/1061396099.db2.gz JJJBNRCWQUYEPJ-QPFKGPCDSA-N 0 0 495.575 2.842 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCCc2nccs2)cc1 ZINC001289774431 1061396617 /nfs/dbraw/zinc/39/66/17/1061396617.db2.gz KHULZRKIJQYCFP-QGZVFWFLSA-N 0 0 461.613 2.878 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CCOCC2)CC1 ZINC001286902289 1061397029 /nfs/dbraw/zinc/39/70/29/1061397029.db2.gz NCNJPDSLNGLXKU-VUNKPPBISA-N 0 0 463.623 2.629 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(Cc3ccncc3)n2CCC(=O)N2CCCCCC2)CC1 ZINC001286902416 1061397950 /nfs/dbraw/zinc/39/79/50/1061397950.db2.gz ASNAXHKRELVRRR-UHFFFAOYSA-N 0 0 481.645 2.940 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(Cl)cn2)cc1 ZINC001289775567 1061398420 /nfs/dbraw/zinc/39/84/20/1061398420.db2.gz QHTAMHOVGXWXJR-SFHVURJKSA-N 0 0 492.001 2.916 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@H]2CCO[C@H](C)C2)cc1C ZINC001289776364 1061399622 /nfs/dbraw/zinc/39/96/22/1061399622.db2.gz ZOWOXNLDWCYAIP-RTWAWAEBSA-N 0 0 471.602 2.584 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3cccc4cccnc43)n2CC(=O)NC(C)C)CC1 ZINC001286903168 1061401199 /nfs/dbraw/zinc/40/11/99/1061401199.db2.gz HWKAOPYNPCOCLB-UHFFFAOYSA-N 0 0 463.586 2.901 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(Cc3csc(C)n3)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001286903363 1061401921 /nfs/dbraw/zinc/40/19/21/1061401921.db2.gz KAAWFIDXYCOYQS-VJFUWPCTSA-N 0 0 468.574 2.942 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccn(C)n2)CC1 ZINC001286903489 1061402687 /nfs/dbraw/zinc/40/26/87/1061402687.db2.gz YMKZTQCVCMHFFF-UHFFFAOYSA-N 0 0 475.395 2.701 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CC3CC(F)C3)n2CCC(=O)N2CCOCC2)cc1C ZINC001289780837 1061403623 /nfs/dbraw/zinc/40/36/23/1061403623.db2.gz PXLXQVOPEDPJLX-UHFFFAOYSA-N 0 0 459.566 2.907 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)Cc3cnccn3)n2C[C@H](C)N2CCOCC2)cc1C ZINC001289782340 1061404669 /nfs/dbraw/zinc/40/46/69/1061404669.db2.gz GZCVUSGOIZQJPL-FQEVSTJZSA-N 0 0 451.575 2.621 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)NC(C)C)CC1 ZINC001286903615 1061404897 /nfs/dbraw/zinc/40/48/97/1061404897.db2.gz LITUOYYVMXSXBP-UHFFFAOYSA-N 0 0 461.998 2.792 20 0 JFADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ncccc3Br)C2)cc1 ZINC001289782516 1061405755 /nfs/dbraw/zinc/40/57/55/1061405755.db2.gz GNBQTYKADZFZDH-OAHLLOKOSA-N 0 0 452.374 2.870 20 0 JFADRN O=C(NCc1ncccc1Br)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001289782576 1061405763 /nfs/dbraw/zinc/40/57/63/1061405763.db2.gz HNHDYSBWODZOFE-UHFFFAOYSA-N 0 0 456.337 2.700 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2CC(=O)N(C)C2CCCCC2)CC1 ZINC001286903854 1061405863 /nfs/dbraw/zinc/40/58/63/1061405863.db2.gz MWITVOIPRNXKAV-VRKFHHGPSA-N 0 0 474.650 2.847 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@H]3COc4ccccc4O3)n2CCOCC(F)F)CC1 ZINC001286903867 1061406753 /nfs/dbraw/zinc/40/67/53/1061406753.db2.gz NEFNSDDPXYLHFT-LBXVMSDZSA-N 0 0 479.528 2.956 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(F)cc(F)c(F)c2F)C1 ZINC001286903910 1061406767 /nfs/dbraw/zinc/40/67/67/1061406767.db2.gz FBMBHLMIWUBHCL-CYBMUJFWSA-N 0 0 491.449 2.635 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(CC3CC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001286904113 1061407776 /nfs/dbraw/zinc/40/77/76/1061407776.db2.gz QUIJHYLXKPXSJO-SOAGJPPSSA-N 0 0 486.583 2.767 20 0 JFADRN CC(=O)N[C@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2OCCC2(C)C)C1 ZINC001286904269 1061408444 /nfs/dbraw/zinc/40/84/44/1061408444.db2.gz GISWTXTVWPOAHX-PMACEKPBSA-N 0 0 489.020 2.782 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCc2c[nH]c3cccc(C)c23)C1 ZINC001286904661 1061412097 /nfs/dbraw/zinc/41/20/97/1061412097.db2.gz INYBRGHLPNPVPB-LJQANCHMSA-N 0 0 451.575 2.554 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2C[C@]2(O)CCCC2(C)C)cc1 ZINC001289786364 1061412133 /nfs/dbraw/zinc/41/21/33/1061412133.db2.gz HDSLXPXKXIXABP-JOCHJYFZSA-N 0 0 450.605 2.588 20 0 JFADRN Cc1nccn1CCn1c(COc2ccc(C)cc2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001289786368 1061412160 /nfs/dbraw/zinc/41/21/60/1061412160.db2.gz HEHLAKISGVYIQI-OYRHEFFESA-N 0 0 467.618 2.916 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CCN3CCOCC3)n2CC2(C(=O)N(C)C)CCCC2)cc1C ZINC001289786666 1061412196 /nfs/dbraw/zinc/41/21/96/1061412196.db2.gz IRIUQFGUHCZBMZ-UHFFFAOYSA-N 0 0 498.672 2.891 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CCN3CCOCC3)n2Cc2ccc(N(C)C)nc2)cc1C ZINC001289787160 1061413462 /nfs/dbraw/zinc/41/34/62/1061413462.db2.gz MSIQWWOISQYQRD-UHFFFAOYSA-N 0 0 479.629 2.752 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCSC2)CC1 ZINC001286905081 1061415389 /nfs/dbraw/zinc/41/53/89/1061415389.db2.gz LXXLDZYDRXXALM-KXXGJQBSSA-N 0 0 477.606 2.748 20 0 JFADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCC(=O)NC2CCCCC2)cc1C ZINC001289790378 1061415550 /nfs/dbraw/zinc/41/55/50/1061415550.db2.gz COWNVWULTKHMQL-FQEVSTJZSA-N 0 0 482.629 2.980 20 0 JFADRN 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CC(=O)NC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CC=CCC2)CCO1 ZINC001286942236 1061593315 /nfs/dbraw/zinc/59/33/15/1061593315.db2.gz SRXBXYGOACQNPL-RDJZCZTQSA-N 0 0 463.380 2.733 20 0 JFADRN CCCCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ncnn2C(C)(C)C)C1 ZINC001294108251 1061593451 /nfs/dbraw/zinc/59/34/51/1061593451.db2.gz VGNZTURLEFBYOS-LJQANCHMSA-N 0 0 496.664 2.986 20 0 JFADRN Cc1cccc(C)c1OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCC1 ZINC001289906492 1061593593 /nfs/dbraw/zinc/59/35/93/1061593593.db2.gz SYTIUIVNHHTSRO-FQEVSTJZSA-N 0 0 477.631 2.543 20 0 JFADRN Cc1nccn1CCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001289906774 1061594580 /nfs/dbraw/zinc/59/45/80/1061594580.db2.gz WKPCWRMZQATDTE-ROUUACIJSA-N 0 0 459.620 2.892 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(-c3c[nH]c4ccccc43)n2C[C@@H](C)NC(=O)OC(C)(C)C)CCO1 ZINC001286942521 1061594910 /nfs/dbraw/zinc/59/49/10/1061594910.db2.gz KDBYKRMFTOSQDJ-SJLPKXTDSA-N 0 0 497.600 2.681 20 0 JFADRN 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CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001294125753 1061608733 /nfs/dbraw/zinc/60/87/33/1061608733.db2.gz BBYUWABRUBSOSV-UHFFFAOYSA-N 0 0 491.036 2.778 20 0 JFADRN Cc1cc(N2CCC(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccnc3)CC2)nc(C)n1 ZINC001294125942 1061608745 /nfs/dbraw/zinc/60/87/45/1061608745.db2.gz GBNTWIWXGYSYHW-HSZRJFAPSA-N 0 0 458.566 2.615 20 0 JFADRN CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001294127261 1061609943 /nfs/dbraw/zinc/60/99/43/1061609943.db2.gz MPYLKVYCLYDEBE-SJLPKXTDSA-N 0 0 456.630 2.585 20 0 JFADRN Cc1cc(Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)n(C)n1 ZINC001289917672 1061610459 /nfs/dbraw/zinc/61/04/59/1061610459.db2.gz UFTHRKTWDZVCNA-UHFFFAOYSA-N 0 0 465.583 2.779 20 0 JFADRN Cc1nc(S(=O)(=O)NCCC(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)cn1C ZINC001294127318 1061610798 /nfs/dbraw/zinc/61/07/98/1061610798.db2.gz MXJSMWLMRAQQAI-UHFFFAOYSA-N 0 0 455.512 2.746 20 0 JFADRN 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CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC001294135740 1061617455 /nfs/dbraw/zinc/61/74/55/1061617455.db2.gz BUDWKOYLKXXEKD-FGZHOGPDSA-N 0 0 490.674 2.906 20 0 JFADRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC001294135669 1061617551 /nfs/dbraw/zinc/61/75/51/1061617551.db2.gz FXFQRNSAHVBPKQ-UGSOOPFHSA-N 0 0 452.429 2.929 20 0 JFADRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(Cl)c2c(c1)OCCO2 ZINC001289924191 1061617674 /nfs/dbraw/zinc/61/76/74/1061617674.db2.gz FHCPUQZSPIOGAR-UHFFFAOYSA-N 0 0 452.916 2.693 20 0 JFADRN CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC001294136093 1061618499 /nfs/dbraw/zinc/61/84/99/1061618499.db2.gz COSSLWTYEIBKFF-LJQANCHMSA-N 0 0 459.616 2.899 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCCNC(=O)C3CCC3)n2Cc2ccc(N(C)C)nc2)n1 ZINC001289928926 1061618442 /nfs/dbraw/zinc/61/84/42/1061618442.db2.gz LCMXMFDHLGXLQG-UHFFFAOYSA-N 0 0 462.602 2.900 20 0 JFADRN CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001294136280 1061618547 /nfs/dbraw/zinc/61/85/47/1061618547.db2.gz FCLHFDUXBVBZSQ-NEWSRXKRSA-N 0 0 483.660 2.829 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCC[C@@H]2CCCCO2)CCO1 ZINC001286945094 1061619314 /nfs/dbraw/zinc/61/93/14/1061619314.db2.gz FVXHWUKJSSNXHA-VQTJNVASSA-N 0 0 475.565 2.687 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OCC(F)(F)F)cc2)CCO1 ZINC001286945159 1061620406 /nfs/dbraw/zinc/62/04/06/1061620406.db2.gz VSIYYJYIEFUOLK-UXHICEINSA-N 0 0 497.518 2.850 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001289931044 1061620582 /nfs/dbraw/zinc/62/05/82/1061620582.db2.gz FXZSNOKWHCGHGL-GOSISDBHSA-N 0 0 492.646 2.919 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)Oc2ccccc2F)CCO1 ZINC001286945313 1061622628 /nfs/dbraw/zinc/62/26/28/1061622628.db2.gz LJDXFVOJXBRMPJ-KXBFYZLASA-N 0 0 488.589 2.582 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccc(OC(F)F)c(F)c2)n1 ZINC001289931592 1061623304 /nfs/dbraw/zinc/62/33/04/1061623304.db2.gz NWUVPSITJPQUEH-UHFFFAOYSA-N 0 0 469.489 2.918 20 0 JFADRN CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N(C)C2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC001294138495 1061623723 /nfs/dbraw/zinc/62/37/23/1061623723.db2.gz PXFFTCXUNXXQPZ-UHFFFAOYSA-N 0 0 457.568 2.984 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[S@](=O)C(C)(C)C)CCO1 ZINC001286945579 1061625901 /nfs/dbraw/zinc/62/59/01/1061625901.db2.gz HNTDHOVMVSIXTR-FPYOTAMTSA-N 0 0 493.699 2.767 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2Cc2nccn2C(F)F)n1 ZINC001289932926 1061626670 /nfs/dbraw/zinc/62/66/70/1061626670.db2.gz XIJDDOOZEFSAKR-CALCHBBNSA-N 0 0 460.533 2.834 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(C)CC2)CCO1 ZINC001286945814 1061628020 /nfs/dbraw/zinc/62/80/20/1061628020.db2.gz YBCIUYGXMMYUSH-MOPGFXCFSA-N 0 0 476.622 2.534 20 0 JFADRN Cc1cccc(-c2nnc(N(CCc3ccc(F)cc3)C3CC3)n2CCS(=O)(=O)N(C)C)n1 ZINC001289937943 1061628032 /nfs/dbraw/zinc/62/80/32/1061628032.db2.gz HVZRPSYEEGXYJN-UHFFFAOYSA-N 0 0 472.590 2.891 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCSC2(C)C)CCO1 ZINC001286946096 1061630986 /nfs/dbraw/zinc/63/09/86/1061630986.db2.gz OPXZPVKIXHUSCZ-FPOVZHCZSA-N 0 0 473.643 2.773 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C(F)(F)F)c2)CCO1 ZINC001286946193 1061632004 /nfs/dbraw/zinc/63/20/04/1061632004.db2.gz JDOPXTKNKYNOKA-ZWKOTPCHSA-N 0 0 453.465 2.538 20 0 JFADRN Cc1cccc(-c2nnc(N3C[C@@H](C)OC4(CCOCC4)C3)n2CCN(C)CC(F)(F)F)n1 ZINC001289940491 1061632050 /nfs/dbraw/zinc/63/20/50/1061632050.db2.gz LQJNPJIKPSNYGL-QGZVFWFLSA-N 0 0 468.524 2.917 20 0 JFADRN NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001294146153 1061632308 /nfs/dbraw/zinc/63/23/08/1061632308.db2.gz KQFSWZGHEPYPAN-VBQJREDUSA-N 0 0 454.340 2.601 20 0 JFADRN Cc1cccc(-c2nnc(N3C[C@@H](C)O[C@@H](c4ccsc4)C3)n2CCCNS(C)(=O)=O)n1 ZINC001289941656 1061633023 /nfs/dbraw/zinc/63/30/23/1061633023.db2.gz QRCUFAHMDOQWGW-VQIMIIECSA-N 0 0 476.628 2.616 20 0 JFADRN Cc1cccc(-c2nnc(N3C[C@H](C)O[C@@H](c4ccsc4)C3)n2CCCNS(C)(=O)=O)n1 ZINC001289941654 1061633032 /nfs/dbraw/zinc/63/30/32/1061633032.db2.gz QRCUFAHMDOQWGW-QFBILLFUSA-N 0 0 476.628 2.616 20 0 JFADRN CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001294148257 1061634453 /nfs/dbraw/zinc/63/44/53/1061634453.db2.gz NHCNBLXIWJNBJE-UHFFFAOYSA-N 0 0 470.618 2.837 20 0 JFADRN Cc1cccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CC(=O)NC(C)C)n1 ZINC001289944365 1061635873 /nfs/dbraw/zinc/63/58/73/1061635873.db2.gz ZMVXQKKKFHZBQO-YJBOKZPZSA-N 0 0 457.579 2.523 20 0 JFADRN CC(=O)NCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC001286946571 1061636251 /nfs/dbraw/zinc/63/62/51/1061636251.db2.gz QHYIXAQVVNTNOB-AZUAARDMSA-N 0 0 496.591 2.979 20 0 JFADRN CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)N2CCS[C@@H](C(C)C)C2)c1 ZINC001294154562 1061637472 /nfs/dbraw/zinc/63/74/72/1061637472.db2.gz BPBHJESDXAHBBM-HXUWFJFHSA-N 0 0 457.662 2.989 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(C)(F)F)c2)CCO1 ZINC001286946819 1061638818 /nfs/dbraw/zinc/63/88/18/1061638818.db2.gz KUYXOCZNQMJLTK-OAQYLSRUSA-N 0 0 470.524 2.765 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)N(C)c2ccccc2)CCO1 ZINC001286946950 1061639895 /nfs/dbraw/zinc/63/98/95/1061639895.db2.gz RUBPPDSGIGTPTI-JTSKRJEESA-N 0 0 483.642 2.500 20 0 JFADRN Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CCc2ccncc2)n1 ZINC001289948312 1061640334 /nfs/dbraw/zinc/64/03/34/1061640334.db2.gz WMKWUIBRYNJTKX-QGZVFWFLSA-N 0 0 459.476 2.791 20 0 JFADRN Cc1cccc(-c2nnc(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)n2CCC(=O)N(C)C)n1 ZINC001289948165 1061640372 /nfs/dbraw/zinc/64/03/72/1061640372.db2.gz TUXZVVDRRIKJQS-UHFFFAOYSA-N 0 0 493.587 2.799 20 0 JFADRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)C(F)(F)F ZINC001289949287 1061641228 /nfs/dbraw/zinc/64/12/28/1061641228.db2.gz KLMSSYQKRXDWSF-QGZVFWFLSA-N 0 0 450.479 2.706 20 0 JFADRN Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CCCOC[C@@H]2CCCO2)n1 ZINC001289948462 1061641274 /nfs/dbraw/zinc/64/12/74/1061641274.db2.gz XXUUNWCIAFYHKS-ROUUACIJSA-N 0 0 496.534 2.739 20 0 JFADRN CCCCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@]3(CCO[C@H]3C)C2)c(C)n1 ZINC001294158312 1061643388 /nfs/dbraw/zinc/64/33/88/1061643388.db2.gz WZDLPZPVRJMBPC-CYFREDJKSA-N 0 0 473.622 2.544 20 0 JFADRN Cc1cccc(-c2nnc(N3CC[C@@H](CC(C)C)C3)n2CCS(=O)(=O)N2CCSCC2)n1 ZINC001289950309 1061643729 /nfs/dbraw/zinc/64/37/29/1061643729.db2.gz BOEFHPZHJSDJII-IBGZPJMESA-N 0 0 478.688 2.900 20 0 JFADRN C[C@H]1C[C@@H](NC(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)C(=O)N1c1cnn(C)c1 ZINC001294159406 1061644480 /nfs/dbraw/zinc/64/44/80/1061644480.db2.gz VWHBVZMLWWAOGP-XJKSGUPXSA-N 0 0 459.572 2.699 20 0 JFADRN CC(C)(C)OC(=O)N1CCC(C(=O)NCc2cccc(OCC(N)=O)c2)(C(F)(F)F)CC1 ZINC001294160184 1061644522 /nfs/dbraw/zinc/64/45/22/1061644522.db2.gz GUXPSCXWXIOHDF-UHFFFAOYSA-N 0 0 459.465 2.747 20 0 JFADRN Cc1cccc(-c2nnc(N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)n2C[C@@](C)(O)CCC(C)C)n1 ZINC001289950828 1061644924 /nfs/dbraw/zinc/64/49/24/1061644924.db2.gz PMSWUEDFNUAZOP-LOSJGSFVSA-N 0 0 483.617 2.650 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCSc2ccccc2)CCO1 ZINC001286947418 1061645451 /nfs/dbraw/zinc/64/54/51/1061645451.db2.gz UOZCSOSWTCFMBX-NRFANRHFSA-N 0 0 466.611 2.788 20 0 JFADRN Cc1cccc(-c2nnc(N3CC[C@@H](CC(C)C)C3)n2CCNS(=O)(=O)Cc2ccon2)n1 ZINC001289951152 1061645864 /nfs/dbraw/zinc/64/58/64/1061645864.db2.gz QTYUGUGWRCTGDP-SFHVURJKSA-N 0 0 473.603 2.629 20 0 JFADRN CCCCCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H]2CCCO2)c(C)n1 ZINC001294162019 1061646568 /nfs/dbraw/zinc/64/65/68/1061646568.db2.gz CYZNWEUHPDMEMN-UYAOXDASSA-N 0 0 464.636 2.539 20 0 JFADRN Cc1cccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)n1 ZINC001289951553 1061647167 /nfs/dbraw/zinc/64/71/67/1061647167.db2.gz VUXQQGQFICDKAX-GYCJOSAFSA-N 0 0 471.606 2.853 20 0 JFADRN CCCCCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(C)(C)OC[C@@H]2C)c(C)n1 ZINC001294162401 1061648585 /nfs/dbraw/zinc/64/85/85/1061648585.db2.gz JPHATQZBAOFURT-HKUYNNGSSA-N 0 0 478.663 2.927 20 0 JFADRN CCCCCn1cc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](CNC(C)=O)C2)c(C)n1 ZINC001294162418 1061648643 /nfs/dbraw/zinc/64/86/43/1061648643.db2.gz JUTOSMPMCLUMTP-SFTDATJTSA-N 0 0 457.623 2.878 20 0 JFADRN CCCCCn1cc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](CNC(C)=O)C2)c(C)n1 ZINC001294162416 1061648663 /nfs/dbraw/zinc/64/86/63/1061648663.db2.gz JUTOSMPMCLUMTP-NHCUHLMSSA-N 0 0 457.623 2.878 20 0 JFADRN CCCCCn1cc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)c(C)n1 ZINC001294162680 1061649632 /nfs/dbraw/zinc/64/96/32/1061649632.db2.gz QWXZWQYHNCUWHL-AZUAARDMSA-N 0 0 464.636 2.539 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCO[C@H]2C(C)C)CCO1 ZINC001286947663 1061649740 /nfs/dbraw/zinc/64/97/40/1061649740.db2.gz RGMIHKNZZISTBD-REHUZNOOSA-N 0 0 489.592 2.789 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCO[C@@H]2C(C)C)CCO1 ZINC001286947668 1061649777 /nfs/dbraw/zinc/64/97/77/1061649777.db2.gz RGMIHKNZZISTBD-YOSAUDMPSA-N 0 0 489.592 2.789 20 0 JFADRN Cc1cccc(-c2nnc(N3CCC(N4CCNC4=O)CC3)n2CCN(C)C(=O)OC(C)(C)C)n1 ZINC001289954728 1061650549 /nfs/dbraw/zinc/65/05/49/1061650549.db2.gz OFCLZQYBEBHRDI-UHFFFAOYSA-N 0 0 484.605 2.509 20 0 JFADRN CCCCCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccn(C)n2)CC1 ZINC001294163587 1061650592 /nfs/dbraw/zinc/65/05/92/1061650592.db2.gz AWXNGSUKJJAPOW-UHFFFAOYSA-N 0 0 450.591 2.569 20 0 JFADRN Cc1cccc(-c2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2CCc2ccccc2F)n1 ZINC001289954750 1061650796 /nfs/dbraw/zinc/65/07/96/1061650796.db2.gz OUYNZEPQZRMCHZ-UHFFFAOYSA-N 0 0 472.590 2.796 20 0 JFADRN Cc1cccc(-c2nnc(N3CCC(CO)(Cc4ccccc4)CC3)n2CCS(C)(=O)=O)n1 ZINC001289955110 1061652049 /nfs/dbraw/zinc/65/20/49/1061652049.db2.gz RDLWIMBYIKLSLD-UHFFFAOYSA-N 0 0 469.611 2.515 20 0 JFADRN CCCCCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)N(C)C)CC1 ZINC001294164083 1061652822 /nfs/dbraw/zinc/65/28/22/1061652822.db2.gz IHOARNCBGYUXMO-UHFFFAOYSA-N 0 0 479.629 2.961 20 0 JFADRN Cc1cccc(-c2nnc(N3CC[C@H](N4CCCC4=O)C3)n2CCCNC(=O)OC(C)(C)C)n1 ZINC001289956153 1061653933 /nfs/dbraw/zinc/65/39/33/1061653933.db2.gz YBMOEJXTJXKIJN-SFHVURJKSA-N 0 0 469.590 2.764 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)C(F)(F)F)CCO1 ZINC001286948170 1061654176 /nfs/dbraw/zinc/65/41/76/1061654176.db2.gz ZVNGCAJPKUVPHX-HNNXBMFYSA-N 0 0 460.526 2.564 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)c2cccc(C)c2)CCO1 ZINC001286948123 1061654289 /nfs/dbraw/zinc/65/42/89/1061654289.db2.gz ZFHGMEGCXAUYOM-RXVVDRJESA-N 0 0 496.637 2.723 20 0 JFADRN 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ZINC001294165786 1061660179 /nfs/dbraw/zinc/66/01/79/1061660179.db2.gz WEFDGQYWJKLULQ-HXUWFJFHSA-N 0 0 476.647 2.572 20 0 JFADRN Cc1nn(C)c(C)c1CNC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br ZINC001294166131 1061662195 /nfs/dbraw/zinc/66/21/95/1061662195.db2.gz GDBGWBDSPWRLMZ-UHFFFAOYSA-N 0 0 457.394 2.664 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccccc2Cl)N(C)C)CCO1 ZINC001286948787 1061663849 /nfs/dbraw/zinc/66/38/49/1061663849.db2.gz WVAYOCCAWAAHGF-NFBKMPQASA-N 0 0 498.031 2.562 20 0 JFADRN Cc1cccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2Cc2ncnn2C(C)(C)C)n1 ZINC001289959361 1061664146 /nfs/dbraw/zinc/66/41/46/1061664146.db2.gz LKAVEZJHQHHCQQ-UHFFFAOYSA-N 0 0 465.606 2.784 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(CC(C)C)n2Cc2ccc(COCC(F)(F)F)cc2)CCO1 ZINC001286948849 1061664927 /nfs/dbraw/zinc/66/49/27/1061664927.db2.gz YFCIGEKAVNCOFI-FQEVSTJZSA-N 0 0 483.535 2.945 20 0 JFADRN CCCCCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c(C)noc2C)CC1 ZINC001294167606 1061665461 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CCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1OC ZINC001294197053 1061705461 /nfs/dbraw/zinc/70/54/61/1061705461.db2.gz UDQOJUGUUULCSE-SFHVURJKSA-N 0 0 472.011 2.558 20 0 JFADRN Cc1cccc(-c2nnc(N3CCN(CC(=O)NC4CC4)CC3)n2CC(C)(C)C(F)(F)F)n1 ZINC001289982922 1061705359 /nfs/dbraw/zinc/70/53/59/1061705359.db2.gz HJKZVMKAPYJZQB-UHFFFAOYSA-N 0 0 465.524 2.638 20 0 JFADRN Cc1cccc(-c2nnc(N3CCN(c4ncc(F)cn4)CC3)n2CCN(C)C(=O)OC(C)(C)C)n1 ZINC001289983539 1061706022 /nfs/dbraw/zinc/70/60/22/1061706022.db2.gz OYPVPDLMIFCRHN-UHFFFAOYSA-N 0 0 497.579 2.771 20 0 JFADRN CC(=O)NCCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001286954684 1061706181 /nfs/dbraw/zinc/70/61/81/1061706181.db2.gz NBAQLLWCTPTDMQ-HXUWFJFHSA-N 0 0 481.601 2.911 20 0 JFADRN CCOC(=O)c1sc2ccccc2c1CN1CCN(C(=O)c2cccnc2C(N)=O)CC1 ZINC001294199227 1061706327 /nfs/dbraw/zinc/70/63/27/1061706327.db2.gz ASJVSIXREDZHLV-UHFFFAOYSA-N 0 0 452.536 2.530 20 0 JFADRN Cc1cccc(-c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CCC(=O)NC(C)(C)C)n1 ZINC001289983568 1061706404 /nfs/dbraw/zinc/70/64/04/1061706404.db2.gz PXQVZOJTOOZXKW-UHFFFAOYSA-N 0 0 485.530 2.976 20 0 JFADRN CC(=O)NCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001286954696 1061706715 /nfs/dbraw/zinc/70/67/15/1061706715.db2.gz GZXRKSFADOPRGX-KRWDZBQOSA-N 0 0 477.993 2.811 20 0 JFADRN Cc1cccc(-c2nnc(N3CCN(CC(=O)NC4CCCCC4)CC3)n2C[C@](C)(O)C(C)C)n1 ZINC001289983575 1061706655 /nfs/dbraw/zinc/70/66/55/1061706655.db2.gz QNSKXLUVHUSKSJ-SANMLTNESA-N 0 0 483.661 2.626 20 0 JFADRN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CCCN(C(=O)c3cc(C)cc(C)c3)C1)CC2 ZINC001294200152 1061706943 /nfs/dbraw/zinc/70/69/43/1061706943.db2.gz ZPCHQHKGWLINCM-LJQANCHMSA-N 0 0 455.580 2.653 20 0 JFADRN CC(=O)NCCCn1c(N2CCO[C@@H](c3ccc(F)cc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001286954870 1061707222 /nfs/dbraw/zinc/70/72/22/1061707222.db2.gz KMBGPRGEFICYOD-ZJSXRUAMSA-N 0 0 475.565 2.562 20 0 JFADRN Cc1cccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CCSc2ccccc2)n1 ZINC001289984028 1061707500 /nfs/dbraw/zinc/70/75/00/1061707500.db2.gz XLKBTPJQTDWLOS-UHFFFAOYSA-N 0 0 465.627 2.651 20 0 JFADRN CCO[C@H](C)c1nc(CN2CCN(C(=O)[C@]3(c4ccccc4)CCC(=O)NC3)CC2)cs1 ZINC001294201732 1061707503 /nfs/dbraw/zinc/70/75/03/1061707503.db2.gz NVADBAYBPQEEGK-HOYKHHGWSA-N 0 0 456.612 2.733 20 0 JFADRN Cc1noc(C)c1[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001289984916 1061708553 /nfs/dbraw/zinc/70/85/53/1061708553.db2.gz DAVBRQNYCAWUQZ-ZBFHGGJFSA-N 0 0 473.603 2.527 20 0 JFADRN CC(=O)NCCCn1c(COc2ccc(Br)cc2)nnc1N1CCOC(C)(C)C1 ZINC001286955316 1061708866 /nfs/dbraw/zinc/70/88/66/1061708866.db2.gz WGLOKQCWGWVLKQ-UHFFFAOYSA-N 0 0 466.380 2.761 20 0 JFADRN Cc1cccc(-c2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)n1 ZINC001289985140 1061709213 /nfs/dbraw/zinc/70/92/13/1061709213.db2.gz GVTHIRQTKJHUIL-MRXNPFEDSA-N 0 0 473.494 2.920 20 0 JFADRN CC(=O)NCCCn1c(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)nnc1C(C)(C)C 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KALFPVIQQBJBFY-UHFFFAOYSA-N 0 0 488.596 2.735 20 0 JFADRN CC(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 ZINC001286956571 1061714736 /nfs/dbraw/zinc/71/47/36/1061714736.db2.gz PSUZQBBYMKQIOD-INIZCTEOSA-N 0 0 459.645 2.796 20 0 JFADRN CC(=O)NCCCn1c(CCc2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001286956500 1061714909 /nfs/dbraw/zinc/71/49/09/1061714909.db2.gz NPGIWGHTQCXYPT-KRWDZBQOSA-N 0 0 452.525 2.662 20 0 JFADRN CC(=O)NCCCn1c(Cc2ccsc2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001286956720 1061715441 /nfs/dbraw/zinc/71/54/41/1061715441.db2.gz VEIBDSPFINKZDZ-FQEVSTJZSA-N 0 0 485.589 2.996 20 0 JFADRN CC(=O)NCCN(Cc1ccsc1)c1nnc(C(=O)NC(C)C)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001286956756 1061715499 /nfs/dbraw/zinc/71/54/99/1061715499.db2.gz ATWBKKZIGPHJNG-IAGOWNOFSA-N 0 0 476.647 2.824 20 0 JFADRN CCOCCn1cc(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCCC3)c2)cn1 ZINC001289990976 1061715737 /nfs/dbraw/zinc/71/57/37/1061715737.db2.gz SWKMDRNWRFDLJY-UHFFFAOYSA-N 0 0 450.561 2.745 20 0 JFADRN O=C(CNC(=O)c1ccc(Br)cc1)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC001294210823 1061715789 /nfs/dbraw/zinc/71/57/89/1061715789.db2.gz AELGLRGSSDIVSY-UHFFFAOYSA-N 0 0 458.312 2.720 20 0 JFADRN Cc1c(C(=O)NCCCN2C(=O)COc3ccccc32)cc(CNC(=O)OC(C)(C)C)n1C ZINC001294211709 1061717305 /nfs/dbraw/zinc/71/73/05/1061717305.db2.gz IBLLGXJXAHMHKQ-UHFFFAOYSA-N 0 0 456.543 2.904 20 0 JFADRN CC(=O)NCCN(Cc1ccsc1)c1nnc(C(=O)N2CCCC2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001286957136 1061717892 /nfs/dbraw/zinc/71/78/92/1061717892.db2.gz JTKWNJSJCVPVMH-AZUAARDMSA-N 0 0 488.658 2.924 20 0 JFADRN Cc1cccc(-c2nnc(N3CCO[C@@H](COC(C)C)C3)n2Cc2ccc(NC(N)=O)cc2)n1 ZINC001289992693 1061718179 /nfs/dbraw/zinc/71/81/79/1061718179.db2.gz SBCFLBFRTAZMQS-HXUWFJFHSA-N 0 0 465.558 2.818 20 0 JFADRN Cc1cccc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@@H](N2CCOCC2)C(F)(F)F)n1 ZINC001289993259 1061718847 /nfs/dbraw/zinc/71/88/47/1061718847.db2.gz FSEAWYXBKMHGMM-DOTOQJQBSA-N 0 0 456.538 2.853 20 0 JFADRN CC(=O)NCCN(Cc1ccc(C)s1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(O)cc1 ZINC001286957265 1061719268 /nfs/dbraw/zinc/71/92/68/1061719268.db2.gz NVIIFDXHRAXNSJ-NRFANRHFSA-N 0 0 482.610 2.690 20 0 JFADRN Cc1cccc(-c2nnc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2CCOCC(F)(F)C(F)F)n1 ZINC001289994075 1061719691 /nfs/dbraw/zinc/71/96/91/1061719691.db2.gz RCIYTVOJFWESHY-KGLIPLIRSA-N 0 0 472.443 2.500 20 0 JFADRN CCO[C@H](C)c1noc(CN2CCN(C(=O)CN[C@@H](c3ccccc3)C(F)(F)F)CC2)n1 ZINC001294213143 1061720472 /nfs/dbraw/zinc/72/04/72/1061720472.db2.gz JJUOYZMPKZWFSX-BEFAXECRSA-N 0 0 455.481 2.705 20 0 JFADRN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3ccnc(Cl)c3Br)cn2)C[C@@H](C)O1 ZINC001294213181 1061720839 /nfs/dbraw/zinc/72/08/39/1061720839.db2.gz WANQDDQTLFPJIN-GHMZBOCLSA-N 0 0 456.728 2.582 20 0 JFADRN CCO[C@@H](C)c1noc(CN2CCN(C(=O)[C@H](OC3CCOCC3)c3ccccc3)CC2)n1 ZINC001294213442 1061720917 /nfs/dbraw/zinc/72/09/17/1061720917.db2.gz KCOKVIRCFQZEAL-PGRDOPGGSA-N 0 0 458.559 2.748 20 0 JFADRN Cc1cccc([C@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)c2ccco2)c1 ZINC001289997216 1061721197 /nfs/dbraw/zinc/72/11/97/1061721197.db2.gz CSYHQDKFGIGFMV-IEBWSBKVSA-N 0 0 486.598 2.561 20 0 JFADRN CCc1cccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c1O ZINC001289999007 1061722492 /nfs/dbraw/zinc/72/24/92/1061722492.db2.gz CPNPGXLHGYAWTR-UHFFFAOYSA-N 0 0 453.358 2.864 20 0 JFADRN Cc1cccc([C@@H]2CCN(c3nnc([C@H]4CN(S(C)(=O)=O)CCO4)n3CCCOC(F)F)C2)c1 ZINC001289999830 1061722882 /nfs/dbraw/zinc/72/28/82/1061722882.db2.gz ANWUJXFOWBCDCS-RTBURBONSA-N 0 0 499.584 2.543 20 0 JFADRN CCO[C@H](C)c1noc(CN2CCN(C(=O)[C@@]3(C)CCCN3C(=O)OC(C)(C)C)CC2)n1 ZINC001294214564 1061723245 /nfs/dbraw/zinc/72/32/45/1061723245.db2.gz XFEQAFJPCARNAM-OPAMFIHVSA-N 0 0 451.568 2.601 20 0 JFADRN CC(=O)NCCN(Cc1ccsc1)c1nnc(Cc2c(F)cccc2F)n1Cc1nncn1C ZINC001286958185 1061724455 /nfs/dbraw/zinc/72/44/55/1061724455.db2.gz KFWZARLTXRMFMO-UHFFFAOYSA-N 0 0 486.552 2.528 20 0 JFADRN 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ZINC001290002917 1061729021 /nfs/dbraw/zinc/72/90/21/1061729021.db2.gz KOKXOBSGDWPFBM-UHFFFAOYSA-N 0 0 482.654 2.995 20 0 JFADRN Cc1cccc(CC2(O)CCN(c3nnc([C@@H]4CCCCO4)n3CCC(=O)N(C)C)CC2)c1 ZINC001290002838 1061729129 /nfs/dbraw/zinc/72/91/29/1061729129.db2.gz JUGXBKIOGZTMSA-NRFANRHFSA-N 0 0 455.603 2.880 20 0 JFADRN Cc1nc(Cc2nnc(N3CCC[C@@H]3c3cccc(C)c3)n2CCNS(C)(=O)=O)cs1 ZINC001290003086 1061729188 /nfs/dbraw/zinc/72/91/88/1061729188.db2.gz WVRDYKCTPQNIJY-LJQANCHMSA-N 0 0 460.629 2.833 20 0 JFADRN Cc1cccc(CC2(O)CCN(c3nnc(Cc4cccnc4)n3CC(=O)NCC(F)F)CC2)c1 ZINC001290003476 1061729566 /nfs/dbraw/zinc/72/95/66/1061729566.db2.gz QDUISKALNNKYLS-UHFFFAOYSA-N 0 0 484.551 2.528 20 0 JFADRN CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccc(C)o2)n1C[C@]1(C)COCCO1 ZINC001286959520 1061729620 /nfs/dbraw/zinc/72/96/20/1061729620.db2.gz XQNFBDAQNWZUPT-JOCHJYFZSA-N 0 0 459.572 2.856 20 0 JFADRN CC(=O)NCCN(Cc1ccsc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCS1(=O)=O ZINC001286959738 1061730081 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Cc1cccc(CCn2c(-c3ccccc3Cl)nnc2N(C)CC(=O)N2CCOCC2)n1 ZINC001290016627 1061739610 /nfs/dbraw/zinc/73/96/10/1061739610.db2.gz IXWFOOWRKIYQRW-UHFFFAOYSA-N 0 0 454.962 2.840 20 0 JFADRN Cc1cc(C)n(C[C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCc3cccc(C)c3)CCO2)n1 ZINC001290016971 1061740854 /nfs/dbraw/zinc/74/08/54/1061740854.db2.gz OZFJETFQFVKMCC-JOCHJYFZSA-N 0 0 465.602 2.686 20 0 JFADRN Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1 ZINC001290017179 1061741219 /nfs/dbraw/zinc/74/12/19/1061741219.db2.gz RACKNICTJGZAQW-ABSDTBQOSA-N 0 0 490.655 2.862 20 0 JFADRN Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](OC(C)(C)C)C2)n1 ZINC001290017169 1061741279 /nfs/dbraw/zinc/74/12/79/1061741279.db2.gz QWKNIXBZXIBOQV-PKOBYXMFSA-N 0 0 464.636 2.618 20 0 JFADRN Cc1cccc(CCn2c(-c3cc(Br)cn3C)nnc2N(C)CCCS(C)(=O)=O)n1 ZINC001290018227 1061742590 /nfs/dbraw/zinc/74/25/90/1061742590.db2.gz WUQWYYAVXPWCRB-UHFFFAOYSA-N 0 0 495.447 2.863 20 0 JFADRN Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3c(F)ccc(F)c3C2)n1 ZINC001290018166 1061742673 /nfs/dbraw/zinc/74/26/73/1061742673.db2.gz WFEZWTSBRNGAHF-HNNXBMFYSA-N 0 0 476.553 2.675 20 0 JFADRN Cc1cccc(CCn2c(CC(C)C)nnc2N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1 ZINC001290023559 1061744526 /nfs/dbraw/zinc/74/45/26/1061744526.db2.gz UALLFHRJJABJTB-NRFANRHFSA-N 0 0 453.635 2.556 20 0 JFADRN Cc1cccc(CCn2c(CC(C)C)nnc2N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1 ZINC001290023560 1061744573 /nfs/dbraw/zinc/74/45/73/1061744573.db2.gz UALLFHRJJABJTB-OAQYLSRUSA-N 0 0 453.635 2.556 20 0 JFADRN Cc1cccc(CCn2c([C@H]3CCCO3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1 ZINC001290024151 1061745106 /nfs/dbraw/zinc/74/51/06/1061745106.db2.gz OTFLKYFTPPCYRW-NHCUHLMSSA-N 0 0 461.632 2.789 20 0 JFADRN Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)c1 ZINC001290027748 1061746092 /nfs/dbraw/zinc/74/60/92/1061746092.db2.gz HFKGSMWVMJXKOU-GGAORHGYSA-N 0 0 495.672 2.590 20 0 JFADRN 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CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CC(Cc3ccc(Cl)cc3)C2)C1 ZINC001294254904 1061760249 /nfs/dbraw/zinc/76/02/49/1061760249.db2.gz RAOQBVFSXYDCEM-SFHVURJKSA-N 0 0 456.992 2.765 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(C)COC1 ZINC001286973309 1061760273 /nfs/dbraw/zinc/76/02/73/1061760273.db2.gz PKMRQTWBZFRJFT-ZIAGYGMSSA-N 0 0 458.531 2.841 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@H]2CCCOC2)c1 ZINC001290044741 1061760997 /nfs/dbraw/zinc/76/09/97/1061760997.db2.gz ODVOSPKTGPNQHC-GUDVDZBRSA-N 0 0 450.605 2.850 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1c[nH]c2ccc(F)cc12 ZINC001286973425 1061761425 /nfs/dbraw/zinc/76/14/25/1061761425.db2.gz QZIJPOYLRUISRS-HOTGVXAUSA-N 0 0 490.605 2.635 20 0 JFADRN CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001294257782 1061761356 /nfs/dbraw/zinc/76/13/56/1061761356.db2.gz PRLFZWRZXCSMCV-QGZVFWFLSA-N 0 0 450.609 2.689 20 0 JFADRN 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Cc1cc(C=O)c(O)c(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1 ZINC001290046396 1061764679 /nfs/dbraw/zinc/76/46/79/1061764679.db2.gz PVWHYVSFRFQYCM-UHFFFAOYSA-N 0 0 457.335 2.967 20 0 JFADRN C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(F)(F)F)CC1 ZINC001286973730 1061764714 /nfs/dbraw/zinc/76/47/14/1061764714.db2.gz VZQSTABASJZSFP-AWEZNQCLSA-N 0 0 470.927 2.874 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)cn2C)n1[C@@H]1C[C@H]1CF ZINC001286973927 1061765120 /nfs/dbraw/zinc/76/51/20/1061765120.db2.gz YJVOYWQMYVFXNR-ZJQBRPOHSA-N 0 0 462.389 2.834 20 0 JFADRN C[C@H](C(=O)NC1CCCC1)N1CCN(c2nnc(CC(C)(C)C)n2CCC(=O)NC(C)(C)C)CC1 ZINC001286974023 1061765635 /nfs/dbraw/zinc/76/56/35/1061765635.db2.gz ZETQTAPNBCTLBD-LJQANCHMSA-N 0 0 489.709 2.741 20 0 JFADRN C[C@@H](C(=O)NC1CCCC1)N1CCN(c2nnc(CC(C)(C)C)n2CCC(=O)NC(C)(C)C)CC1 ZINC001286974022 1061765689 /nfs/dbraw/zinc/76/56/89/1061765689.db2.gz ZETQTAPNBCTLBD-IBGZPJMESA-N 0 0 489.709 2.741 20 0 JFADRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1cc(S(N)(=O)=O)cc(C)c1C ZINC001294266788 1061766563 /nfs/dbraw/zinc/76/65/63/1061766563.db2.gz KGIVQMPMFPSLOR-UHFFFAOYSA-N 0 0 453.948 2.680 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(Cc2ccsc2)n1CC(=O)Nc1ccc(F)cc1)S(C)(=O)=O ZINC001286974229 1061766780 /nfs/dbraw/zinc/76/67/80/1061766780.db2.gz CIYPCPTWYJFRMS-LSDHHAIUSA-N 0 0 479.603 2.966 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccnc(OC2CCCC2)c1 ZINC001286974159 1061766845 /nfs/dbraw/zinc/76/68/45/1061766845.db2.gz BJBAQGYDWNJZHK-LMMKCTJWSA-N 0 0 477.631 2.805 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1C[C@H](c1cccs1)N(C)C ZINC001286974133 1061766955 /nfs/dbraw/zinc/76/69/55/1061766955.db2.gz AZLBYKWYGKXSNT-ZIFCJYIRSA-N 0 0 476.672 2.886 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccnc(OC2CCCC2)c1 ZINC001286974158 1061766997 /nfs/dbraw/zinc/76/69/97/1061766997.db2.gz BJBAQGYDWNJZHK-AOIWGVFYSA-N 0 0 477.631 2.805 20 0 JFADRN Cc1noc(C)c1CN(C)c1nnc(COc2cccc(C)c2)n1CCC(=O)N1CCOCC1 ZINC001290047771 1061767023 /nfs/dbraw/zinc/76/70/23/1061767023.db2.gz IGAXMZBGPHCWDK-UHFFFAOYSA-N 0 0 468.558 2.656 20 0 JFADRN CCCCn1c(-c2nn(CCC)c(=O)c3ccccc32)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001294271302 1061767154 /nfs/dbraw/zinc/76/71/54/1061767154.db2.gz GQAPCGICYVCYHF-KRWDZBQOSA-N 0 0 472.615 2.879 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(Cc2cccnc2)n1CCOc1cccc(F)c1)S(C)(=O)=O ZINC001286974254 1061767468 /nfs/dbraw/zinc/76/74/68/1061767468.db2.gz CNAPKTWTBPSNCP-DLBZAZTESA-N 0 0 461.563 2.740 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CCc1nccc(C(F)(F)F)n1 ZINC001286974307 1061767996 /nfs/dbraw/zinc/76/79/96/1061767996.db2.gz DCMOIGAAHABWEI-GJZGRUSLSA-N 0 0 497.547 2.573 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(CC2CC2)n1Cc1cc2c(cc1OC(F)F)OCO2)S(C)(=O)=O ZINC001286974288 1061768113 /nfs/dbraw/zinc/76/81/13/1061768113.db2.gz CYJZWJGESGNHRX-QWHCGFSZSA-N 0 0 486.541 2.867 20 0 JFADRN CCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@@H](NC(=O)CCC)C1 ZINC001294273408 1061768176 /nfs/dbraw/zinc/76/81/76/1061768176.db2.gz XPDBFKSGVPGNGA-QGZVFWFLSA-N 0 0 451.575 2.877 20 0 JFADRN CCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@H](NC(=O)CCC)C1 ZINC001294273404 1061768279 /nfs/dbraw/zinc/76/82/79/1061768279.db2.gz XPDBFKSGVPGNGA-KRWDZBQOSA-N 0 0 451.575 2.877 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2C[C@H]2CCOC[C@H]2C)c1 ZINC001290048270 1061768317 /nfs/dbraw/zinc/76/83/17/1061768317.db2.gz XGHKJVLSYVKUBT-WOJBJXKFSA-N 0 0 491.658 2.698 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@@]2(C)COCCO2)c1 ZINC001290048838 1061768923 /nfs/dbraw/zinc/76/89/23/1061768923.db2.gz ZKZDSDODFJEVFD-QFIPXVFZSA-N 0 0 460.966 2.994 20 0 JFADRN O=C(CCC(=O)N1CCN(c2ccccc2)CC1)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001294276463 1061769493 /nfs/dbraw/zinc/76/94/93/1061769493.db2.gz SHULWLOILQSURQ-OAQYLSRUSA-N 0 0 454.958 2.691 20 0 JFADRN CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC001294277701 1061769565 /nfs/dbraw/zinc/76/95/65/1061769565.db2.gz BLBWKVZKXKQMKN-MRXNPFEDSA-N 0 0 454.622 2.596 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)CC3CC(F)C3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 ZINC001290052034 1061769776 /nfs/dbraw/zinc/76/97/76/1061769776.db2.gz BVNCFCSIEHANRY-CTWPCTMYSA-N 0 0 465.595 2.774 20 0 JFADRN Cc1ccccc1CN1CCN(C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)CC1 ZINC001290052706 1061770111 /nfs/dbraw/zinc/77/01/11/1061770111.db2.gz VZZPYYDLVVUUMA-UHFFFAOYSA-N 0 0 454.596 2.500 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCOC(F)(F)F ZINC001286974736 1061770325 /nfs/dbraw/zinc/77/03/25/1061770325.db2.gz JVVXTGHDHIBNTE-JKIFEVAISA-N 0 0 492.520 2.975 20 0 JFADRN CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 ZINC001294279097 1061770508 /nfs/dbraw/zinc/77/05/08/1061770508.db2.gz BFFXJELCWXLNOU-FQEVSTJZSA-N 0 0 463.604 2.889 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N1CCCCC1 ZINC001286974845 1061770841 /nfs/dbraw/zinc/77/08/41/1061770841.db2.gz BGAGMJGBLDQKOV-CTAFRAEOSA-N 0 0 497.706 2.857 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1OCCC1(C)C ZINC001286974874 1061771746 /nfs/dbraw/zinc/77/17/46/1061771746.db2.gz AJCXUCZXPCDRDV-GQIGUUNPSA-N 0 0 478.615 2.789 20 0 JFADRN CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001294280798 1061772150 /nfs/dbraw/zinc/77/21/50/1061772150.db2.gz NHPBHNIUEGXIPC-XHSDSOJGSA-N 0 0 451.524 2.501 20 0 JFADRN CCCCn1c(CC(C)(C)C)nnc1N1C[C@H]2[C@H](C1)S(=O)(=O)C[C@H]2NC(=O)OC(C)(C)C ZINC001294281053 1061772205 /nfs/dbraw/zinc/77/22/05/1061772205.db2.gz QBZHVGRNJQCUFE-ZACQAIPSSA-N 0 0 469.652 2.793 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CCOc1ncccc1F ZINC001286974958 1061772253 /nfs/dbraw/zinc/77/22/53/1061772253.db2.gz KKXJHZDKBSQZJU-GJZGRUSLSA-N 0 0 467.592 2.801 20 0 JFADRN CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001294281563 1061772823 /nfs/dbraw/zinc/77/28/23/1061772823.db2.gz OOUOBPRYLVYTMM-SFTDATJTSA-N 0 0 453.635 2.691 20 0 JFADRN CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccc(F)c1 ZINC001294281966 1061773369 /nfs/dbraw/zinc/77/33/69/1061773369.db2.gz VGCDHIZLVNRDDR-RBUKOAKNSA-N 0 0 451.568 2.892 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccn(C)n1 ZINC001286975139 1061773803 /nfs/dbraw/zinc/77/38/03/1061773803.db2.gz LDPFXWGRWBYSLH-HUUCEWRRSA-N 0 0 450.996 2.562 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCOC2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001286975148 1061773861 /nfs/dbraw/zinc/77/38/61/1061773861.db2.gz LDTVPDQOVBDAHG-NHAYFPRASA-N 0 0 484.066 2.996 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccccn2)n1Cc1cnn(Cc2ccccc2)c1 ZINC001286975259 1061774287 /nfs/dbraw/zinc/77/42/87/1061774287.db2.gz LERIACYCTMZBBR-UXHICEINSA-N 0 0 493.637 2.815 20 0 JFADRN Nc1nc(C(=O)N2CCC(Cc3cc(Cl)ccc3Cl)CC2)nc(N2CCOCC2)n1 ZINC001294284870 1061774252 /nfs/dbraw/zinc/77/42/52/1061774252.db2.gz PXJOHCQTFIMTOX-UHFFFAOYSA-N 0 0 451.358 2.692 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccccc1Cn1cccn1)S(C)(=O)=O ZINC001286975170 1061774741 /nfs/dbraw/zinc/77/47/41/1061774741.db2.gz BUVBLVJLKJWAMD-WAOWUJCRSA-N 0 0 472.615 2.681 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCOC1 ZINC001286975183 1061774795 /nfs/dbraw/zinc/77/47/95/1061774795.db2.gz CBPXYBXIMCCFOX-QYZOEREBSA-N 0 0 450.605 2.584 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(C)(F)F)c1 ZINC001286975189 1061774905 /nfs/dbraw/zinc/77/49/05/1061774905.db2.gz CFASJOJEWJOFTO-CVEARBPZSA-N 0 0 483.585 2.818 20 0 JFADRN CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001294286596 1061774838 /nfs/dbraw/zinc/77/48/38/1061774838.db2.gz GVZVUXUCCJFRAC-UHFFFAOYSA-N 0 0 472.537 2.965 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(C)(F)F)c1 ZINC001286975191 1061775318 /nfs/dbraw/zinc/77/53/18/1061775318.db2.gz CFASJOJEWJOFTO-HZPDHXFCSA-N 0 0 483.585 2.818 20 0 JFADRN O=C(c1cccc(NCc2ccccn2)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001290057970 1061777219 /nfs/dbraw/zinc/77/72/19/1061777219.db2.gz FVHCPLHEZMTUKV-UHFFFAOYSA-N 0 0 454.527 2.980 20 0 JFADRN O=C(COc1ccccc1NC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)N1CCOCC1 ZINC001294291923 1061777451 /nfs/dbraw/zinc/77/74/51/1061777451.db2.gz DSJBQDNMJVQBKF-SFHVURJKSA-N 0 0 457.914 2.569 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[C@@H]1CCOC1 ZINC001286975653 1061777485 /nfs/dbraw/zinc/77/74/85/1061777485.db2.gz FXTGSRWVRGYBTQ-CEXWTWQISA-N 0 0 459.616 2.966 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2COCCO2)CC1 ZINC001286975454 1061777515 /nfs/dbraw/zinc/77/75/15/1061777515.db2.gz FUHQWQHSJASSQZ-AWEZNQCLSA-N 0 0 498.447 2.879 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cnn(C)c1 ZINC001286975723 1061778031 /nfs/dbraw/zinc/77/80/31/1061778031.db2.gz MLOGDEOAKGEDAF-GJZGRUSLSA-N 0 0 450.996 2.562 20 0 JFADRN COc1cccc([C@@H](O)C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1 ZINC001290058235 1061778362 /nfs/dbraw/zinc/77/83/62/1061778362.db2.gz KFUWAAOZJZSQPU-GOSISDBHSA-N 0 0 459.351 2.569 20 0 JFADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)CCC(=O)c3ccc4c(c3)CCC(=O)N4)C2)c1 ZINC001294293612 1061778565 /nfs/dbraw/zinc/77/85/65/1061778565.db2.gz WYGZEFSJDJLANV-SFHVURJKSA-N 0 0 451.523 2.947 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1Cc1cccc(N2CCCC2=O)c1 ZINC001286975879 1061779051 /nfs/dbraw/zinc/77/90/51/1061779051.db2.gz DBYXLQYNEGRFOV-QZTJIDSGSA-N 0 0 482.610 2.773 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(Cc2ccc(F)cc2)CC1)S(C)(=O)=O ZINC001286975967 1061780153 /nfs/dbraw/zinc/78/01/53/1061780153.db2.gz HQEJDPWJUMJPRN-ZWKOTPCHSA-N 0 0 491.633 2.820 20 0 JFADRN CCCCn1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CC(F)(F)F)CC2)c(C)n1 ZINC001294295312 1061780594 /nfs/dbraw/zinc/78/05/94/1061780594.db2.gz IGGOOSCMFMFUKB-UHFFFAOYSA-N 0 0 482.555 2.552 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC001290060437 1061780853 /nfs/dbraw/zinc/78/08/53/1061780853.db2.gz UXXDASOZBFKPQK-ZWKOTPCHSA-N 0 0 472.590 2.733 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1cc2ccccc2o1)S(C)(=O)=O ZINC001286976116 1061781026 /nfs/dbraw/zinc/78/10/26/1061781026.db2.gz HYLUVWOOBXMEOV-DLBZAZTESA-N 0 0 473.599 2.647 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCOCC2)CC1 ZINC001286976235 1061782049 /nfs/dbraw/zinc/78/20/49/1061782049.db2.gz CFIFSIWONALYHB-UHFFFAOYSA-N 0 0 489.064 2.939 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CC(=O)N(C)C)c1 ZINC001290062227 1061782379 /nfs/dbraw/zinc/78/23/79/1061782379.db2.gz BLNDIZAVKNQLEP-SFHVURJKSA-N 0 0 472.590 2.699 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnccn2)n1Cc1c(F)cc(F)c(F)c1F ZINC001286976309 1061782699 /nfs/dbraw/zinc/78/26/99/1061782699.db2.gz DAOBIVJWYZUXGY-MNOVXSKESA-N 0 0 472.468 2.598 20 0 JFADRN CCCCn1cc(Cn2c(C)nnc2N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)c(C)n1 ZINC001294296356 1061782703 /nfs/dbraw/zinc/78/27/03/1061782703.db2.gz UMDCPESVYVEBBM-AUSIDOKSSA-N 0 0 470.666 2.757 20 0 JFADRN CCCCn1cc(Cn2c(C)nnc2N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)c(C)n1 ZINC001294296362 1061782813 /nfs/dbraw/zinc/78/28/13/1061782813.db2.gz UMDCPESVYVEBBM-XXBNENTESA-N 0 0 470.666 2.757 20 0 JFADRN CCCCn1cc(Cn2c(-c3ccccc3)nnc2N2CCO[C@H](CNC(C)=O)C2)c(C)n1 ZINC001294296294 1061782833 /nfs/dbraw/zinc/78/28/33/1061782833.db2.gz SNUBNAAONJZUFX-JOCHJYFZSA-N 0 0 451.575 2.640 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)NCc1ccco1 ZINC001286976496 1061784363 /nfs/dbraw/zinc/78/43/63/1061784363.db2.gz OXTJOBWHHXPLAK-HZPDHXFCSA-N 0 0 494.017 2.690 20 0 JFADRN CCCCn1cc(Cn2c(-c3ccccc3OC)nnc2N2CC(=O)N(C)[C@H](C)C2)c(C)n1 ZINC001294296771 1061784528 /nfs/dbraw/zinc/78/45/28/1061784528.db2.gz XARUAEPTAZYSHS-QGZVFWFLSA-N 0 0 451.575 2.974 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(Cn4cccn4)CC3)n2CC(=O)NC(C)C)c1 ZINC001290062599 1061784985 /nfs/dbraw/zinc/78/49/85/1061784985.db2.gz AKABKSFQSDSCDB-UHFFFAOYSA-N 0 0 451.575 2.803 20 0 JFADRN CCCCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)S[C@@H](C)C2)c(C)n1 ZINC001294297145 1061785068 /nfs/dbraw/zinc/78/50/68/1061785068.db2.gz VPQJJABCOHHQPX-ZOBUZTSGSA-N 0 0 469.681 2.572 20 0 JFADRN CCCCn1c(N2CCN(c3nc(C)cc(OCC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001294297493 1061785548 /nfs/dbraw/zinc/78/55/48/1061785548.db2.gz UILPAIMOVVPSBC-HSZRJFAPSA-N 0 0 459.595 2.554 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCSCC1 ZINC001286976715 1061786156 /nfs/dbraw/zinc/78/61/56/1061786156.db2.gz KAISAENKWGPWPZ-NCXUSEDFSA-N 0 0 487.736 2.503 20 0 JFADRN CCCCn1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cnn(C)c2C)c(C)n1 ZINC001294297559 1061786218 /nfs/dbraw/zinc/78/62/18/1061786218.db2.gz YMJPXIUPDWHKEM-UHFFFAOYSA-N 0 0 476.589 2.957 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(c4ccnn4C)CC3)n2CC(=O)NC(C)C)c1 ZINC001290063016 1061786803 /nfs/dbraw/zinc/78/68/03/1061786803.db2.gz JBURONMRIRIYSA-UHFFFAOYSA-N 0 0 451.575 2.808 20 0 JFADRN CCCCn1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(C)n1 ZINC001294298461 1061787209 /nfs/dbraw/zinc/78/72/09/1061787209.db2.gz LRUCFWYKQKCKRS-MOPGFXCFSA-N 0 0 486.621 2.686 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC001286976785 1061787312 /nfs/dbraw/zinc/78/73/12/1061787312.db2.gz DORNFFWYXYQDCR-ZULIPRJHSA-N 0 0 495.669 2.540 20 0 JFADRN CCCCn1cc(Cn2c(-c3cnccn3)nnc2N2CCC(C(=O)NCCC)CC2)c(C)n1 ZINC001294299407 1061787707 /nfs/dbraw/zinc/78/77/07/1061787707.db2.gz PVFPKZPZEOIUPY-UHFFFAOYSA-N 0 0 465.606 2.831 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(C)CN(C)C2=O)c1 ZINC001290063398 1061787877 /nfs/dbraw/zinc/78/78/77/1061787877.db2.gz WDQFOBOALFSRJT-CJAUYULYSA-N 0 0 484.601 2.747 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(C)CN(C)C2=O)c1 ZINC001290063396 1061787989 /nfs/dbraw/zinc/78/79/89/1061787989.db2.gz WDQFOBOALFSRJT-AVRWGWEMSA-N 0 0 484.601 2.747 20 0 JFADRN CCCCn1cc(Cn2c([C@@H]3COc4ccccc4O3)nnc2N(C)CCS(C)(=O)=O)c(C)n1 ZINC001294299840 1061788329 /nfs/dbraw/zinc/78/83/29/1061788329.db2.gz UPMFOPSYHCNBRV-NRFANRHFSA-N 0 0 488.614 2.625 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@H](C)c2nccs2)c1 ZINC001290063722 1061788519 /nfs/dbraw/zinc/78/85/19/1061788519.db2.gz ZXCVWBIYQXJFTA-KRWDZBQOSA-N 0 0 490.655 2.944 20 0 JFADRN CCCCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C)[C@H]2CC)c(C)n1 ZINC001294300143 1061788772 /nfs/dbraw/zinc/78/87/72/1061788772.db2.gz XAPYSCPHRJLNCL-UIFIKXQLSA-N 0 0 493.678 2.589 20 0 JFADRN Cc1nnc(Cn2c(COc3cccc(C)c3)nnc2N2CCC(CCC(N)=O)CC2)s1 ZINC001290064497 1061788740 /nfs/dbraw/zinc/78/87/40/1061788740.db2.gz SOAUEVBOJINQEB-UHFFFAOYSA-N 0 0 455.588 2.856 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1Cc1cccc(N2CCCC2=O)c1 ZINC001286977031 1061788798 /nfs/dbraw/zinc/78/87/98/1061788798.db2.gz KSTJBWLKEKZERR-ABSDTBQOSA-N 0 0 475.615 2.563 20 0 JFADRN CCCCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C)[C@@H]2CC)c(C)n1 ZINC001294300142 1061788881 /nfs/dbraw/zinc/78/88/81/1061788881.db2.gz XAPYSCPHRJLNCL-QMMLZNLJSA-N 0 0 493.678 2.589 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CCOCC1)S(C)(=O)=O ZINC001286977551 1061791050 /nfs/dbraw/zinc/79/10/50/1061791050.db2.gz NNKWUXIAFCOTMK-QFHJOOASSA-N 0 0 456.653 2.881 20 0 JFADRN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC001294304152 1061791221 /nfs/dbraw/zinc/79/12/21/1061791221.db2.gz NIDKCTJPHZANCB-ZRBXUZRCSA-N 0 0 455.374 2.631 20 0 JFADRN CCCCn1cc(Cn2c(CN3CCCC3=O)nnc2N(C)CC2COC(C)(C)OC2)c(C)n1 ZINC001294304255 1061791723 /nfs/dbraw/zinc/79/17/23/1061791723.db2.gz NELJOWDPIFDGMZ-UHFFFAOYSA-N 0 0 473.622 2.589 20 0 JFADRN CCCCn1cc(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)c(C)n1 ZINC001294304503 1061791741 /nfs/dbraw/zinc/79/17/41/1061791741.db2.gz OPEPHKVSFLNYSW-OAQYLSRUSA-N 0 0 474.606 2.985 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@@H](C(F)F)C3)n2CCCNS(C)(=O)=O)c1 ZINC001290067134 1061791831 /nfs/dbraw/zinc/79/18/31/1061791831.db2.gz WCULYVKHQIEQSI-MRXNPFEDSA-N 0 0 457.547 2.586 20 0 JFADRN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cccc(Nc2cnccn2)c1 ZINC001290067577 1061792590 /nfs/dbraw/zinc/79/25/90/1061792590.db2.gz LRANIJGFDJNIAQ-UHFFFAOYSA-N 0 0 457.487 2.633 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC1(C(N)=O)CCCC1 ZINC001286977673 1061792539 /nfs/dbraw/zinc/79/25/39/1061792539.db2.gz ICHOFJBIRPSZSS-CABCVRRESA-N 0 0 468.023 2.902 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOC2CCCCCC2)CC1 ZINC001286977757 1061793249 /nfs/dbraw/zinc/79/32/49/1061793249.db2.gz OKDOORGPROBBIO-IBGZPJMESA-N 0 0 495.690 2.614 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1=CCCOC1 ZINC001286977734 1061793296 /nfs/dbraw/zinc/79/32/96/1061793296.db2.gz GLSLMINNKZASGG-ROUUACIJSA-N 0 0 470.599 2.735 20 0 JFADRN Cc1cc(Cn2c(COc3cccc(C)c3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)on1 ZINC001290069247 1061793686 /nfs/dbraw/zinc/79/36/86/1061793686.db2.gz CCRNPWFHYOFCNS-HXUWFJFHSA-N 0 0 459.572 2.914 20 0 JFADRN Cc1nc(CN2CCCN(c3nnc(COc4cccc(C)c4)n3CCC(C)(C)O)CC2)no1 ZINC001290069308 1061793847 /nfs/dbraw/zinc/79/38/47/1061793847.db2.gz FDSMMXAOIWHMEG-UHFFFAOYSA-N 0 0 469.590 2.730 20 0 JFADRN CCCCn1cc(Cn2c(N3CCC[C@H](C(=O)OC)C3)nnc2[C@@]2(OCC)CCOC2)c(C)n1 ZINC001294307121 1061794851 /nfs/dbraw/zinc/79/48/51/1061794851.db2.gz LLMRSTMYTBDSKX-YADARESESA-N 0 0 474.606 2.673 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1COCCO1 ZINC001286977916 1061794863 /nfs/dbraw/zinc/79/48/63/1061794863.db2.gz ORDFYHVSSHNKES-HLLBOEOZSA-N 0 0 489.063 2.897 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(c4cccnn4)CC3)n2C[C@](C)(O)C(C)C)c1 ZINC001290070261 1061795301 /nfs/dbraw/zinc/79/53/01/1061795301.db2.gz AEQRZJIMLPXVCA-DEOSSOPVSA-N 0 0 451.575 2.689 20 0 JFADRN Cc1noc([C@@H](C)N2CCN(c3nnc(COc4cccc(C)c4)n3CCCC(=O)N(C)C)CC2)n1 ZINC001290070464 1061795903 /nfs/dbraw/zinc/79/59/03/1061795903.db2.gz DCJJTMUPVWAPCI-LJQANCHMSA-N 0 0 496.616 2.609 20 0 JFADRN CCCCn1cc(Cn2c(N3CCN(C(=O)OCC)CC3)nnc2[C@]2(OCC)CCOC2)c(C)n1 ZINC001294308296 1061795968 /nfs/dbraw/zinc/79/59/68/1061795968.db2.gz PUEMFTQRXCGDCQ-DEOSSOPVSA-N 0 0 489.621 2.562 20 0 JFADRN Cc1cc([C@](C)(O)Cn2c(COc3cccc(C)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)c(C)o1 ZINC001290070814 1061796280 /nfs/dbraw/zinc/79/62/80/1061796280.db2.gz GWIONSMKDJGZRE-AVRWGWEMSA-N 0 0 467.570 2.950 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CCN(C)Cc1ccc(F)cc1)S(C)(=O)=O ZINC001286978245 1061797169 /nfs/dbraw/zinc/79/71/69/1061797169.db2.gz PPVRMOLYCPNLFE-SQGPQFPESA-N 0 0 467.611 2.659 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@]2(O)CCOC2)c1 ZINC001290071492 1061798078 /nfs/dbraw/zinc/79/80/78/1061798078.db2.gz NFCLEIAHVMCCGB-UQBPGWFLSA-N 0 0 487.601 2.763 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001290071612 1061798527 /nfs/dbraw/zinc/79/85/27/1061798527.db2.gz QCLKZCMCCLBCKC-UHFFFAOYSA-N 0 0 478.597 2.526 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CC=CCO1 ZINC001286978545 1061799435 /nfs/dbraw/zinc/79/94/35/1061799435.db2.gz HLLOULSWAFMMNP-OPYAIIAOSA-N 0 0 470.599 2.734 20 0 JFADRN CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC001290071962 1061799726 /nfs/dbraw/zinc/79/97/26/1061799726.db2.gz XQUQKXIUYKVCPU-JOCHJYFZSA-N 0 0 453.942 2.964 20 0 JFADRN CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC001290072135 1061800379 /nfs/dbraw/zinc/80/03/79/1061800379.db2.gz BNWGBODKLSHTIZ-UHFFFAOYSA-N 0 0 455.559 2.662 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CCOCC(F)(F)C(F)F)c1 ZINC001290072536 1061801071 /nfs/dbraw/zinc/80/10/71/1061801071.db2.gz BMLZGOCWJJJIDE-HNNXBMFYSA-N 0 0 487.454 2.723 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1CCn1cnc2ccccc21 ZINC001286978902 1061802197 /nfs/dbraw/zinc/80/21/97/1061802197.db2.gz XBIFKYPPQRCFMC-ROUUACIJSA-N 0 0 467.599 2.572 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CCCN1CCCCCC1=O ZINC001286978922 1061802292 /nfs/dbraw/zinc/80/22/92/1061802292.db2.gz XGJKPVKHGRSXCQ-ROUUACIJSA-N 0 0 481.688 2.981 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(F)F)c2)CC1 ZINC001286979015 1061803467 /nfs/dbraw/zinc/80/34/67/1061803467.db2.gz ZJESADFNVNQDNY-QGZVFWFLSA-N 0 0 460.529 2.910 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCOC(C)(C)C3)n2CCS(=O)(=O)C(C)(C)C)c1 ZINC001290076888 1061805302 /nfs/dbraw/zinc/80/53/02/1061805302.db2.gz CWZWSNGOZCOHQY-UHFFFAOYSA-N 0 0 450.605 2.994 20 0 JFADRN 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Cc1cccc(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2CCS(=O)(=O)N(C)C)c1 ZINC001290077608 1061806800 /nfs/dbraw/zinc/80/68/00/1061806800.db2.gz HSHRGZKKQSAYHS-IBGZPJMESA-N 0 0 467.661 2.635 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCOC[C@@H]3C)n2CC[C@H](C(F)F)N2CCOCC2)c1 ZINC001290078265 1061808384 /nfs/dbraw/zinc/80/83/84/1061808384.db2.gz SZVFTGDHVGSMBY-AZUAARDMSA-N 0 0 465.545 2.747 20 0 JFADRN Nc1cc(I)ccc1C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC001290079340 1061809482 /nfs/dbraw/zinc/80/94/82/1061809482.db2.gz UYHMHIGONXBEKK-UHFFFAOYSA-N 0 0 451.308 2.710 20 0 JFADRN CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCNC(=O)c2cccs2)C1 ZINC001286979810 1061809760 /nfs/dbraw/zinc/80/97/60/1061809760.db2.gz BVVOSKJPQFYUQC-QGZVFWFLSA-N 0 0 481.626 2.963 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001286980193 1061811637 /nfs/dbraw/zinc/81/16/37/1061811637.db2.gz YPXXIKBDZJGCMA-IYWMVGAKSA-N 0 0 464.632 2.709 20 0 JFADRN 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WPEJDGCHUQAUQB-AVRDEDQJSA-N 0 0 451.479 2.906 20 0 JFADRN CCCN(CCC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@H]1C ZINC001294564521 1062081562 /nfs/dbraw/zinc/08/15/62/1062081562.db2.gz LWQOREFQVHLPBB-WOJBJXKFSA-N 0 0 480.654 2.934 20 0 JFADRN CCCN(CCC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001294566304 1062082529 /nfs/dbraw/zinc/08/25/29/1062082529.db2.gz VLKXKMYCVQIPEK-FXAWDEMLSA-N 0 0 463.604 2.699 20 0 JFADRN CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(-c3c[nH]c4ccccc43)n2CCS(C)(=O)=O)C1 ZINC001287057906 1062083318 /nfs/dbraw/zinc/08/33/18/1062083318.db2.gz SMQBOAYSKAPEKM-INIZCTEOSA-N 0 0 488.614 2.965 20 0 JFADRN Cc1nc([C@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(C[S@](C)=O)cc3)CCO2)no1 ZINC001290381434 1062083385 /nfs/dbraw/zinc/08/33/85/1062083385.db2.gz LBEKNSXIWAZTRC-WHUARKNTSA-N 0 0 458.588 2.673 20 0 JFADRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)N2CCOCC2)C1 ZINC001287057923 1062083475 /nfs/dbraw/zinc/08/34/75/1062083475.db2.gz AVUYKJLEDFOZRX-GOSISDBHSA-N 0 0 490.992 2.561 20 0 JFADRN CCCN(CCC)S(=O)(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CC[C@H](F)C2)CC1 ZINC001294571383 1062084021 /nfs/dbraw/zinc/08/40/21/1062084021.db2.gz CJFNYYQHKJTVHG-UXHICEINSA-N 0 0 495.669 2.911 20 0 JFADRN CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCCC2(C)C)C1 ZINC001287058085 1062084137 /nfs/dbraw/zinc/08/41/37/1062084137.db2.gz VIBCXCKYBKNPER-AVRWGWEMSA-N 0 0 490.649 2.949 20 0 JFADRN CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CC[C@H]2COCCO2)C1 ZINC001287058517 1062085619 /nfs/dbraw/zinc/08/56/19/1062085619.db2.gz GVMGIRUIESKUOL-PMACEKPBSA-N 0 0 472.590 2.563 20 0 JFADRN Cc1nc([C@@H]2CN(c3nnc([C@@H]4CCCCO4)n3CC(F)(F)Br)CCO2)no1 ZINC001290383062 1062085712 /nfs/dbraw/zinc/08/57/12/1062085712.db2.gz MOQWHQLJXPJOFT-RYUDHWBXSA-N 0 0 463.283 2.777 20 0 JFADRN Cc1nc(-c2ccc(Cn3c(Cc4ccccn4)nnc3N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc2)n[nH]1 ZINC001290383393 1062086073 /nfs/dbraw/zinc/08/60/73/1062086073.db2.gz NWGRHRIHOCGGJY-SJORKVTESA-N 0 0 494.625 2.664 20 0 JFADRN Cc1nc(-c2ccc(Cn3c(C4CCC4)nnc3N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc2)n[nH]1 ZINC001290383116 1062086173 /nfs/dbraw/zinc/08/61/73/1062086173.db2.gz NJKCIZNTRXBEEW-GJZGRUSLSA-N 0 0 457.604 2.945 20 0 JFADRN CCCN(CCC)S(=O)(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001294572421 1062086081 /nfs/dbraw/zinc/08/60/81/1062086081.db2.gz IDESPTCFYDEEGA-VAMGGRTRSA-N 0 0 486.658 2.757 20 0 JFADRN CCCN(CCC)S(=O)(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CC[C@@H](F)C2)CC1 ZINC001294572423 1062086102 /nfs/dbraw/zinc/08/61/02/1062086102.db2.gz IDESPTCFYDEEGA-XUVXKRRUSA-N 0 0 486.658 2.757 20 0 JFADRN Cc1nc([C@@H]2CN(c3nnc(-c4cc(Br)cn4C)n3CC(C)C)CCO2)no1 ZINC001290383735 1062086533 /nfs/dbraw/zinc/08/65/33/1062086533.db2.gz QZGDVRXVCHXUMQ-HNNXBMFYSA-N 0 0 450.341 2.971 20 0 JFADRN Cc1nc([C@@H]2CN(c3nnc(-c4ccc(Cl)nc4)n3CCCOCC(F)F)CCO2)no1 ZINC001290384025 1062086827 /nfs/dbraw/zinc/08/68/27/1062086827.db2.gz ULCMAHKAKFBZNL-AWEZNQCLSA-N 0 0 469.880 2.935 20 0 JFADRN CCCN(CCC)S(=O)(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001294573464 1062086956 /nfs/dbraw/zinc/08/69/56/1062086956.db2.gz MVQCJYVCKHMYHS-AZUAARDMSA-N 0 0 463.652 2.979 20 0 JFADRN Cc1nc([C@H]2CN(c3nnc(-c4ccc(Cl)nc4)n3CCCOCC(F)F)CCO2)no1 ZINC001290384026 1062086846 /nfs/dbraw/zinc/08/68/46/1062086846.db2.gz ULCMAHKAKFBZNL-CQSZACIVSA-N 0 0 469.880 2.935 20 0 JFADRN Cc1nc([C@@H]2CN(c3nnc(-c4ccc(Cl)nc4)n3CC[S@@](=O)C(C)(C)C)CCO2)no1 ZINC001290384350 1062086863 /nfs/dbraw/zinc/08/68/63/1062086863.db2.gz WZVOBQQJSGZYKJ-BBFFTDKLSA-N 0 0 479.994 2.810 20 0 JFADRN Cc1nc(-c2ccc(Cn3c(C4CCCC4)nnc3N(C)[C@@H](C)CS(C)(=O)=O)cc2)n[nH]1 ZINC001290384586 1062086942 /nfs/dbraw/zinc/08/69/42/1062086942.db2.gz XCPLERWMHPRLOD-HNNXBMFYSA-N 0 0 457.604 2.947 20 0 JFADRN Cc1nc([C@H]2CN(c3nnc(-c4ccc(Cl)cc4)n3CCNC(=O)C(C)C)CCO2)no1 ZINC001290384631 1062087652 /nfs/dbraw/zinc/08/76/52/1062087652.db2.gz YAYJYHMIAJZINS-QGZVFWFLSA-N 0 0 459.938 2.640 20 0 JFADRN CC(C)(C)OC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOCC(F)F)CC1 ZINC001287058880 1062087805 /nfs/dbraw/zinc/08/78/05/1062087805.db2.gz NXBQVVMARXAPEL-UHFFFAOYSA-N 0 0 486.564 2.679 20 0 JFADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cc2F)C1 ZINC001287059001 1062087852 /nfs/dbraw/zinc/08/78/52/1062087852.db2.gz BCXJNSNAWOOHJB-WBVHZDCISA-N 0 0 497.568 2.610 20 0 JFADRN Cc1nc(Cc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@H](C)c2c(C)noc2C)cs1 ZINC001290385374 1062089426 /nfs/dbraw/zinc/08/94/26/1062089426.db2.gz JEXQUIREFBPOIU-STQMWFEESA-N 0 0 466.633 2.912 20 0 JFADRN CCCN(CCn1c(-c2cccnc2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC001294578335 1062089717 /nfs/dbraw/zinc/08/97/17/1062089717.db2.gz COHCNPKELMBHCF-KRWDZBQOSA-N 0 0 457.579 2.654 20 0 JFADRN CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(CC3CCCC3)n2CCNC(=O)c2ccn[nH]2)C1 ZINC001287059777 1062090231 /nfs/dbraw/zinc/09/02/31/1062090231.db2.gz YKYFMQUPBWVJKM-SFHVURJKSA-N 0 0 486.621 2.657 20 0 JFADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CCNC(=O)c2ccn[nH]2)C1 ZINC001287059775 1062090334 /nfs/dbraw/zinc/09/03/34/1062090334.db2.gz YKYFMQUPBWVJKM-GOSISDBHSA-N 0 0 486.621 2.657 20 0 JFADRN Cc1nc(Cc2nnc(N(C)[C@H]3CCCN(c4cccnn4)C3)n2CCCNC(=O)C(C)C)cs1 ZINC001290385983 1062090325 /nfs/dbraw/zinc/09/03/25/1062090325.db2.gz PDMMNJSOOVKYPF-FQEVSTJZSA-N 0 0 497.673 2.691 20 0 JFADRN CCCN(CCn1c(C)nnc1N1CCN(C(=O)N(CC)CC)CC1)C(=O)OC(C)(C)C ZINC001294579622 1062090617 /nfs/dbraw/zinc/09/06/17/1062090617.db2.gz SBAFTBJODURIFY-UHFFFAOYSA-N 0 0 451.616 2.817 20 0 JFADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001287059829 1062090625 /nfs/dbraw/zinc/09/06/25/1062090625.db2.gz JPYFPTDDHDESOV-SFHVURJKSA-N 0 0 492.646 2.581 20 0 JFADRN Cc1nc(Cc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@H](C)N2CCc3ccccc32)cs1 ZINC001290386940 1062090760 /nfs/dbraw/zinc/09/07/60/1062090760.db2.gz YHHDPURAYIQCER-DLBZAZTESA-N 0 0 488.683 2.954 20 0 JFADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(CC3CC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 ZINC001287060112 1062091446 /nfs/dbraw/zinc/09/14/46/1062091446.db2.gz NIHYVNUNLJJOQS-QUCCMNQESA-N 0 0 486.592 2.817 20 0 JFADRN Cc1nc(Cc2nnc(N(C)CC(=O)Nc3cccc(C)c3C)n2C[C@H]2COCCO2)cs1 ZINC001290388249 1062091583 /nfs/dbraw/zinc/09/15/83/1062091583.db2.gz GCEGQYKCJHHCQQ-IBGZPJMESA-N 0 0 470.599 2.741 20 0 JFADRN Cc1nc(Cc2nnc(N(C)CC(=O)NC(C)C)n2CCc2ccc3c[nH]nc3c2)cs1 ZINC001290388264 1062091858 /nfs/dbraw/zinc/09/18/58/1062091858.db2.gz GJAQUWZKIXPJPY-UHFFFAOYSA-N 0 0 452.588 2.714 20 0 JFADRN Cc1nc(Cc2nnc(N(C)CC(=O)NC(C)C)n2Cc2ccccc2C2OCCO2)cs1 ZINC001290388347 1062091883 /nfs/dbraw/zinc/09/18/83/1062091883.db2.gz JGLGCTHZXXFGKK-UHFFFAOYSA-N 0 0 470.599 2.688 20 0 JFADRN CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2nccs2)C1 ZINC001287060314 1062092270 /nfs/dbraw/zinc/09/22/70/1062092270.db2.gz AEBTZOACJSFEMS-CVEARBPZSA-N 0 0 475.619 2.670 20 0 JFADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(N)=O)c2)C1 ZINC001287060327 1062092628 /nfs/dbraw/zinc/09/26/28/1062092628.db2.gz PSRZTSYEGHGYSH-FQEVSTJZSA-N 0 0 477.569 2.515 20 0 JFADRN CCCN(CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(C)=O)C1)C(=O)OC(C)(C)C ZINC001294582840 1062093002 /nfs/dbraw/zinc/09/30/02/1062093002.db2.gz DGLNBBRDYPYHPH-IBGZPJMESA-N 0 0 486.621 2.735 20 0 JFADRN CCCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@@H]1C)C(=O)OC(C)(C)C ZINC001294583168 1062093361 /nfs/dbraw/zinc/09/33/61/1062093361.db2.gz GVBSIIQTZOSNNI-ROUUACIJSA-N 0 0 499.678 2.831 20 0 JFADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCc2cccc(C(N)=O)c2)C1 ZINC001287060473 1062093761 /nfs/dbraw/zinc/09/37/61/1062093761.db2.gz QPNRAYQGRIETMM-NRFANRHFSA-N 0 0 491.596 2.709 20 0 JFADRN Cc1nc(Cc2nnc(N(C)Cc3cnn(C)c3C)n2CC[C@@H](C(F)F)N2CCOCC2)cs1 ZINC001290391227 1062093810 /nfs/dbraw/zinc/09/38/10/1062093810.db2.gz RDHZZISGWWXJKS-IBGZPJMESA-N 0 0 494.616 2.668 20 0 JFADRN CC(C)(C)OC(=O)NCC(F)(F)Cn1c(C2CCC2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001287060507 1062093861 /nfs/dbraw/zinc/09/38/61/1062093861.db2.gz JHXVXRDNLBYCSA-UHFFFAOYSA-N 0 0 477.578 2.719 20 0 JFADRN CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)[C@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccccc3)C[C@H]21 ZINC001287060497 1062093934 /nfs/dbraw/zinc/09/39/34/1062093934.db2.gz JDHUYQUTQVLJMD-OTWHNJEPSA-N 0 0 489.642 2.750 20 0 JFADRN CCCN(CCn1c([C@@H]2CCOC2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21)C(=O)OC(C)(C)C ZINC001294583773 1062094277 /nfs/dbraw/zinc/09/42/77/1062094277.db2.gz JOXOJXSEJNNORG-CEXWTWQISA-N 0 0 476.622 2.677 20 0 JFADRN CC(C)(C)OC(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001287060747 1062094637 /nfs/dbraw/zinc/09/46/37/1062094637.db2.gz SLPAMAKJDBXGJJ-GOEBONIOSA-N 0 0 457.522 2.700 20 0 JFADRN COc1ccc([C@H](CNC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)N2CCOCC2)cc1 ZINC001290392644 1062095115 /nfs/dbraw/zinc/09/51/15/1062095115.db2.gz GIGXXSNNUAOBMN-REWPJTCUSA-N 0 0 458.603 2.549 20 0 JFADRN 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JUFALLIPDYNMPN-CQSZACIVSA-N 0 0 466.468 2.797 20 0 JFADRN Cc1nnc([C@@H]2CN(c3nnc(CC(C)C)n3CCc3nccc(C(F)(F)F)n3)CCO2)o1 ZINC001290673137 1062582996 /nfs/dbraw/zinc/58/29/96/1062582996.db2.gz JUFALLIPDYNMPN-AWEZNQCLSA-N 0 0 466.468 2.797 20 0 JFADRN CC(C)c1nc([C@@H]2CN(c3nnc([C@H]4CCCCO4)n3CCOCC(F)F)CCO2)no1 ZINC001287169074 1062583293 /nfs/dbraw/zinc/58/32/93/1062583293.db2.gz JQYIDEWKEIDGQO-CABCVRRESA-N 0 0 456.494 2.886 20 0 JFADRN CCCNC(=O)CCn1c(N2CC[C@@](O)(c3ccc(C)cc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294873622 1062583371 /nfs/dbraw/zinc/58/33/71/1062583371.db2.gz YGHMLLWMXSVICC-IZZNHLLZSA-N 0 0 485.629 2.641 20 0 JFADRN CC(C)c1nc([C@@H]2CCCN(c3nnc(-c4cnn(C)c4)n3CCOCC(F)F)C2)no1 ZINC001287169424 1062583618 /nfs/dbraw/zinc/58/36/18/1062583618.db2.gz UJIUTVKUPNXZEU-CQSZACIVSA-N 0 0 450.494 2.851 20 0 JFADRN CCCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(Cc1c(F)cccc1F)C1CC1 ZINC001294873883 1062583771 /nfs/dbraw/zinc/58/37/71/1062583771.db2.gz LXJMMILHATZIGX-UHFFFAOYSA-N 0 0 469.496 2.899 20 0 JFADRN CCCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001294873856 1062583852 /nfs/dbraw/zinc/58/38/52/1062583852.db2.gz LDQVAXMCXUPCGO-HSZRJFAPSA-N 0 0 477.009 2.783 20 0 JFADRN Cc1nnc([C@@H]2CN(c3nnc(CC4CCCC4)n3CCNC(=O)OC(C)(C)C)CCO2)o1 ZINC001290674275 1062584308 /nfs/dbraw/zinc/58/43/08/1062584308.db2.gz OCXANKHUJHGJNM-KRWDZBQOSA-N 0 0 461.567 2.805 20 0 JFADRN CCCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001294874684 1062584473 /nfs/dbraw/zinc/58/44/73/1062584473.db2.gz SCYXHHVTVXBJHQ-HXUWFJFHSA-N 0 0 468.602 2.805 20 0 JFADRN C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC001290675167 1062584738 /nfs/dbraw/zinc/58/47/38/1062584738.db2.gz WBLIZAPPQIMNNA-NRFANRHFSA-N 0 0 457.412 2.991 20 0 JFADRN Cc1nc2n(n1)CCN(c1nnc(COc3ccc(Cl)cc3Cl)n1CCC(=O)NC(C)C)C2 ZINC001290674464 1062584913 /nfs/dbraw/zinc/58/49/13/1062584913.db2.gz OVILOIQHUYNOGY-UHFFFAOYSA-N 0 0 493.399 2.999 20 0 JFADRN Cc1nnc([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(C[S@](C)=O)cc3)CCO2)o1 ZINC001290675967 1062585818 /nfs/dbraw/zinc/58/58/18/1062585818.db2.gz WGQJMAKSJVRRTF-CVCYQNGTSA-N 0 0 458.588 2.772 20 0 JFADRN Cc1nnc([C@@H]2CN(c3nnc(C(C)C)n3CCCS(=O)(=O)c3ccccc3)CCO2)o1 ZINC001290675946 1062585901 /nfs/dbraw/zinc/58/59/01/1062585901.db2.gz WFBYGSJPLHRUER-SFHVURJKSA-N 0 0 460.560 2.535 20 0 JFADRN Cc1nnc(CCCn2c(C(C)C)nnc2N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)s1 ZINC001290678189 1062586954 /nfs/dbraw/zinc/58/69/54/1062586954.db2.gz AUMGCAVKVXKANM-GOSISDBHSA-N 0 0 474.679 2.717 20 0 JFADRN CCCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001294875957 1062586958 /nfs/dbraw/zinc/58/69/58/1062586958.db2.gz KACKHNABLJRGNW-IAGOWNOFSA-N 0 0 456.526 2.516 20 0 JFADRN CC(C)c1csc(Cn2c([C@H]3CCCCO3)nnc2N2CCCN(S(C)(=O)=O)CC2)n1 ZINC001287170796 1062587098 /nfs/dbraw/zinc/58/70/98/1062587098.db2.gz WHHNAMJTHBXYCN-QGZVFWFLSA-N 0 0 468.649 2.620 20 0 JFADRN Cc1nnc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)c2cccs2)s1 ZINC001290678493 1062587857 /nfs/dbraw/zinc/58/78/57/1062587857.db2.gz FPMMOJCYPHRQRM-QWHCGFSZSA-N 0 0 469.662 2.940 20 0 JFADRN CC(C)c1nc([C@H]2CN(c3nnc([C@H]4CCOC4)n3CCCN(C)CC(F)(F)F)CCO2)no1 ZINC001287171094 1062588095 /nfs/dbraw/zinc/58/80/95/1062588095.db2.gz WQSSDRHDQYQTTB-JKSUJKDBSA-N 0 0 487.527 2.751 20 0 JFADRN CC(C)c1ncc(CN(C)c2nnc(-c3cccn3C)n2CCN2CCOCC2(C)C)cn1 ZINC001287171367 1062588528 /nfs/dbraw/zinc/58/85/28/1062588528.db2.gz QNEIOMCANUQNET-UHFFFAOYSA-N 0 0 452.607 2.944 20 0 JFADRN Cc1nnc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCc3sccc3C2)s1 ZINC001290679200 1062589623 /nfs/dbraw/zinc/58/96/23/1062589623.db2.gz SQUQMUZKEWQZHH-ZDUSSCGKSA-N 0 0 481.673 2.695 20 0 JFADRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F ZINC001294877775 1062589657 /nfs/dbraw/zinc/58/96/57/1062589657.db2.gz RVDMAJYHBXDPCU-APWZRJJASA-N 0 0 454.420 2.887 20 0 JFADRN CC(C)c1nc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC(=O)N(C)C)CC2)cs1 ZINC001287172064 1062590146 /nfs/dbraw/zinc/59/01/46/1062590146.db2.gz XTKPOYNELSFOBJ-SFHVURJKSA-N 0 0 473.647 2.747 20 0 JFADRN CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CNC(=O)NC1CCCCC1 ZINC001294878226 1062590188 /nfs/dbraw/zinc/59/01/88/1062590188.db2.gz JHULYHWTQIDREI-UHFFFAOYSA-N 0 0 453.609 2.719 20 0 JFADRN CCCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001294878499 1062590688 /nfs/dbraw/zinc/59/06/88/1062590688.db2.gz XRLIRNFHUZBQDB-FPOVZHCZSA-N 0 0 452.603 2.841 20 0 JFADRN CC(C)c1ncc(CN(C)c2nnc(Cc3cccnc3)n2CCNC(=O)c2ccco2)cn1 ZINC001287172081 1062590896 /nfs/dbraw/zinc/59/08/96/1062590896.db2.gz CKESVZZEFCNZBK-UHFFFAOYSA-N 0 0 460.542 2.837 20 0 JFADRN CCCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C(=O)NC)CC1 ZINC001294879021 1062591092 /nfs/dbraw/zinc/59/10/92/1062591092.db2.gz YGIAQFVXWZNDAN-OAHLLOKOSA-N 0 0 462.982 2.560 20 0 JFADRN CCCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001294879442 1062591416 /nfs/dbraw/zinc/59/14/16/1062591416.db2.gz BDNJVXHXKQOSAX-UHFFFAOYSA-N 0 0 489.340 2.918 20 0 JFADRN Cc1nnc(CCCn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001290679789 1062591893 /nfs/dbraw/zinc/59/18/93/1062591893.db2.gz LIKTYWNIPQHNBL-OKILXGFUSA-N 0 0 461.617 2.676 20 0 JFADRN CCCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001294879816 1062592236 /nfs/dbraw/zinc/59/22/36/1062592236.db2.gz DSNAAWZJDKTTGV-SFHVURJKSA-N 0 0 452.559 2.959 20 0 JFADRN COC(=O)c1n[nH]c2ccc(NC(=O)CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc21 ZINC001290680378 1062592281 /nfs/dbraw/zinc/59/22/81/1062592281.db2.gz BWLPWROSQRSRCQ-UHFFFAOYSA-N 0 0 457.295 2.573 20 0 JFADRN Cc1nnc(CCCn2c(Cc3c(F)cccc3F)nnc2N(C)CCN2CCOCC2)s1 ZINC001290680178 1062592335 /nfs/dbraw/zinc/59/23/35/1062592335.db2.gz SHEOMXWRFSDUTD-UHFFFAOYSA-N 0 0 477.585 2.708 20 0 JFADRN CC(C)c1nnc([C@H]2CN(c3nnc([C@H]4CCCOC4)n3CCN(C)CC(F)(F)F)CCO2)o1 ZINC001287172811 1062593013 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CUTVSVVGTLWIBV-BJLXPSRBSA-N 0 0 451.662 2.884 20 0 JFADRN CC(C)c1ncc(CN(C)c2nnc(-c3cnn(C)c3)n2CC2(S(C)(=O)=O)CCCC2)cn1 ZINC001287173270 1062595888 /nfs/dbraw/zinc/59/58/88/1062595888.db2.gz KIBRHUHDCMCWNU-UHFFFAOYSA-N 0 0 472.619 2.586 20 0 JFADRN CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)[C@H](CC(=O)N(Cc1cccs1)C1CC1)CS2(=O)=O ZINC001290683504 1062595609 /nfs/dbraw/zinc/59/56/09/1062595609.db2.gz NLQJOVVDUXFPPK-OLMNPRSZSA-N 0 0 454.614 2.909 20 0 JFADRN COc1ncccc1CNC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F ZINC001290684538 1062595949 /nfs/dbraw/zinc/59/59/49/1062595949.db2.gz WJGSVIKFXVYRJO-CYBMUJFWSA-N 0 0 452.462 2.731 20 0 JFADRN Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)c1 ZINC001294882850 1062596046 /nfs/dbraw/zinc/59/60/46/1062596046.db2.gz LMABAFMVRWQKJO-HSZRJFAPSA-N 0 0 455.580 2.960 20 0 JFADRN Cc1nnc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCSC3(CCCCC3)C2)s1 ZINC001290685288 1062596464 /nfs/dbraw/zinc/59/64/64/1062596464.db2.gz HQURUIQUNZDFPH-AWEZNQCLSA-N 0 0 485.705 2.547 20 0 JFADRN Cc1nnc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)s1 ZINC001290685155 1062596531 /nfs/dbraw/zinc/59/65/31/1062596531.db2.gz CXXMAKKTTGNEEQ-MRXNPFEDSA-N 0 0 492.650 2.655 20 0 JFADRN Cc1nnc(CCn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)s1 ZINC001290685368 1062597234 /nfs/dbraw/zinc/59/72/34/1062597234.db2.gz ALBBRWIBWKWSOA-HNNXBMFYSA-N 0 0 496.062 2.767 20 0 JFADRN CC(C)c1ncc(CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(NC(N)=O)cc2)cn1 ZINC001287174132 1062597435 /nfs/dbraw/zinc/59/74/35/1062597435.db2.gz RGTSLGYOURHDAQ-UHFFFAOYSA-N 0 0 460.546 2.767 20 0 JFADRN CCCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001294883680 1062597532 /nfs/dbraw/zinc/59/75/32/1062597532.db2.gz MQZIEBXKKGMUGT-LJQANCHMSA-N 0 0 453.385 2.957 20 0 JFADRN CCCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](Oc2ccccn2)C1 ZINC001294883682 1062597686 /nfs/dbraw/zinc/59/76/86/1062597686.db2.gz MRCGAIPUWFHWMY-MRXNPFEDSA-N 0 0 488.390 2.625 20 0 JFADRN 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CCCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 ZINC001294884850 1062599259 /nfs/dbraw/zinc/59/92/59/1062599259.db2.gz WDQIHJASIIDQIW-QFIPXVFZSA-N 0 0 491.434 2.535 20 0 JFADRN CC(C)c1nnc(N(C)Cc2ccc(C(N)=O)cc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001287176251 1062600109 /nfs/dbraw/zinc/60/01/09/1062600109.db2.gz KYFRXIZLVUAWLK-GOSISDBHSA-N 0 0 468.524 2.790 20 0 JFADRN O=C(NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC001294885540 1062601248 /nfs/dbraw/zinc/60/12/48/1062601248.db2.gz WVDZRGJKOMXBGN-MAUKXSAKSA-N 0 0 457.470 2.814 20 0 JFADRN CC(C)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001287177811 1062601274 /nfs/dbraw/zinc/60/12/74/1062601274.db2.gz TVKUZFOWTXSDDC-GVDBMIGSSA-N 0 0 457.641 2.916 20 0 JFADRN CC(C)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001287177810 1062601339 /nfs/dbraw/zinc/60/13/39/1062601339.db2.gz TVKUZFOWTXSDDC-BRWVUGGUSA-N 0 0 457.641 2.916 20 0 JFADRN 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ZINC001290695137 1062620281 /nfs/dbraw/zinc/62/02/81/1062620281.db2.gz ATQPMEKGHJSSRR-UHFFFAOYSA-N 0 0 482.035 2.572 20 0 JFADRN NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC001290694809 1062620322 /nfs/dbraw/zinc/62/03/22/1062620322.db2.gz GSENHECEWQVNGC-OAHLLOKOSA-N 0 0 458.268 2.562 20 0 JFADRN CCCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](c2noc(C)n2)C1 ZINC001294891874 1062620697 /nfs/dbraw/zinc/62/06/97/1062620697.db2.gz STPVIBHIKOOHTA-INIZCTEOSA-N 0 0 490.362 2.503 20 0 JFADRN CC(C)c1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1CCCn1ccnn1 ZINC001287192849 1062621392 /nfs/dbraw/zinc/62/13/92/1062621392.db2.gz WFWJWNZDDZRLDU-UHFFFAOYSA-N 0 0 457.970 2.987 20 0 JFADRN CC(C)c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O ZINC001287193092 1062622490 /nfs/dbraw/zinc/62/24/90/1062622490.db2.gz YGWRZJKYVJRKEQ-RTWAWAEBSA-N 0 0 494.706 2.689 20 0 JFADRN Cc1nnc(Cn2c(-c3cccc4cccnc43)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)s1 ZINC001290696258 1062622502 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C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCNS(C)(=O)=O)C[C@H](C)S1 ZINC001291259942 1063553530 /nfs/dbraw/zinc/55/35/30/1063553530.db2.gz BEFOVYHMUGFWRB-GJZGRUSLSA-N 0 0 458.053 2.792 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCCS2(=O)=O)C[C@H](C)S1 ZINC001291260088 1063553988 /nfs/dbraw/zinc/55/39/88/1063553988.db2.gz DMGYKVOXBFYSRV-GASCZTMLSA-N 0 0 471.599 2.513 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCS(=O)(=O)C2)CCCO1 ZINC001291260293 1063554852 /nfs/dbraw/zinc/55/48/52/1063554852.db2.gz HDBABNDTYSSUQC-HOTGVXAUSA-N 0 0 454.543 2.587 20 0 JFADRN C[C@H]1OCC[C@@]12CN(c1nnc(Cc3ccc(Cl)cc3)n1CC(=O)NCC(F)F)C[C@@H](C)O2 ZINC001291261032 1063555302 /nfs/dbraw/zinc/55/53/02/1063555302.db2.gz TUUZNUVYCMATAZ-DOQJBMMISA-N 0 0 483.947 2.676 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2COCCO2)C[C@@H](C(F)(F)F)O1 ZINC001291261243 1063555698 /nfs/dbraw/zinc/55/56/98/1063555698.db2.gz XJFWCTMPGAITFH-AHIWAGSCSA-N 0 0 462.419 2.719 20 0 JFADRN C[C@@H]1OCC[C@@]12CN(c1nnc(Cc3ccc(Cl)cc3)n1CC(=O)NCC(F)F)C[C@@H](C)O2 ZINC001291261035 1063555714 /nfs/dbraw/zinc/55/57/14/1063555714.db2.gz TUUZNUVYCMATAZ-ZCCHDVMBSA-N 0 0 483.947 2.676 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2COCCO2)C[C@H](C(F)(F)F)O1 ZINC001291261248 1063556113 /nfs/dbraw/zinc/55/61/13/1063556113.db2.gz XJFWCTMPGAITFH-OGHNNQOOSA-N 0 0 462.419 2.719 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@]2(C)COCCO2)CCN1CC(F)(F)F ZINC001291261617 1063557292 /nfs/dbraw/zinc/55/72/92/1063557292.db2.gz FNIKZDNBDNDMJZ-HRAATJIYSA-N 0 0 471.499 2.886 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2Cc2cccnc2OCC(F)F)CC(=O)N1C ZINC001291261891 1063557581 /nfs/dbraw/zinc/55/75/81/1063557581.db2.gz JJVXYVGXTBSZBC-OAHLLOKOSA-N 0 0 474.487 2.762 20 0 JFADRN C[C@@H]1OCC[C@@]1(O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001291261940 1063557597 /nfs/dbraw/zinc/55/75/97/1063557597.db2.gz KCGDKLZTGGXBEV-HXFPYSNGSA-N 0 0 458.456 2.704 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC(=O)NCC2CC2)CCN1CC(F)(F)F ZINC001291261722 1063557634 /nfs/dbraw/zinc/55/76/34/1063557634.db2.gz GSUCOUVZXKGDOD-OAHLLOKOSA-N 0 0 468.499 2.607 20 0 JFADRN C[C@H]1OCC[C@@]1(O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001291261941 1063558167 /nfs/dbraw/zinc/55/81/67/1063558167.db2.gz KCGDKLZTGGXBEV-MJPMAJQWSA-N 0 0 458.456 2.704 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC(C)(C)C1 ZINC001291262102 1063558610 /nfs/dbraw/zinc/55/86/10/1063558610.db2.gz MVWNAFWVQSRJSM-QGZVFWFLSA-N 0 0 464.607 2.820 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCS(C)(=O)=O)C[C@H](C(F)(F)F)O1 ZINC001291262279 1063559325 /nfs/dbraw/zinc/55/93/25/1063559325.db2.gz PSRTZMZUNFQFHA-IUODEOHRSA-N 0 0 466.913 2.723 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCS(C)(=O)=O)C[C@H](C(F)(F)F)O1 ZINC001291262280 1063559388 /nfs/dbraw/zinc/55/93/88/1063559388.db2.gz PSRTZMZUNFQFHA-SWLSCSKDSA-N 0 0 466.913 2.723 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC(C)(C)O1 ZINC001291262993 1063561271 /nfs/dbraw/zinc/56/12/71/1063561271.db2.gz CULJFOAEHVZIIC-FUHWJXTLSA-N 0 0 468.524 2.531 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC(C)(C)O1 ZINC001291262994 1063561335 /nfs/dbraw/zinc/56/13/35/1063561335.db2.gz CULJFOAEHVZIIC-SJLPKXTDSA-N 0 0 468.524 2.531 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC(C)(C)O1 ZINC001291262995 1063561371 /nfs/dbraw/zinc/56/13/71/1063561371.db2.gz CULJFOAEHVZIIC-WMZOPIPTSA-N 0 0 468.524 2.531 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC2([S@](C)=O)CC2)CCN1C(=O)OC(C)(C)C ZINC001291263162 1063561430 /nfs/dbraw/zinc/56/14/30/1063561430.db2.gz GIZURXPVQBBVFW-GTOJURISSA-N 0 0 474.631 2.621 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2ccco2)CCN1CC(F)(F)F ZINC001291263539 1063561834 /nfs/dbraw/zinc/56/18/34/1063561834.db2.gz MNKPHISTFKVQKZ-IERDGZPVSA-N 0 0 464.492 2.837 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC(C)(C)O1 ZINC001291263684 1063561893 /nfs/dbraw/zinc/56/18/93/1063561893.db2.gz OQKFSTCVKVBCHP-SFHVURJKSA-N 0 0 469.611 2.861 20 0 JFADRN CC(=O)c1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cc1 ZINC001295524490 1063562643 /nfs/dbraw/zinc/56/26/43/1063562643.db2.gz WFMONGDKHIBLGT-UHFFFAOYSA-N 0 0 456.564 2.851 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccc(NC(N)=O)cc2)C[C@@H](C(F)(F)F)O1 ZINC001291264450 1063563371 /nfs/dbraw/zinc/56/33/71/1063563371.db2.gz CIHDYYZIXIYURW-KSSFIOAISA-N 0 0 475.475 2.959 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCc2ccccc2OC(F)F)CC(=O)N1C ZINC001291264462 1063563444 /nfs/dbraw/zinc/56/34/44/1063563444.db2.gz CMAGBOJJWDRMPT-MRXNPFEDSA-N 0 0 456.497 2.775 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCN2CCOC(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001291264561 1063563795 /nfs/dbraw/zinc/56/37/95/1063563795.db2.gz FHDUHRHVGUWJPK-FUHWJXTLSA-N 0 0 468.524 2.531 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CC2([S@](C)=O)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291264633 1063563998 /nfs/dbraw/zinc/56/39/98/1063563998.db2.gz GMABJYKUJCAPNK-LURPTGHASA-N 0 0 474.631 2.524 20 0 JFADRN CC(=O)c1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 ZINC001295526789 1063564668 /nfs/dbraw/zinc/56/46/68/1063564668.db2.gz VLOSUIYMJMFLFN-UHFFFAOYSA-N 0 0 450.507 2.927 20 0 JFADRN C[C@@H]1OCC[C@]12CN(c1nnc(Cc3ccccn3)n1CCCOC(F)(F)F)C[C@@H](C)O2 ZINC001291264767 1063564696 /nfs/dbraw/zinc/56/46/96/1063564696.db2.gz IDNUZXAOTWLXBA-GUXCAODWSA-N 0 0 455.481 2.963 20 0 JFADRN C[C@H]1OCC[C@@]12CN(c1nnc(Cc3ccccn3)n1CC[S@](=O)C(C)(C)C)C[C@@H](C)O2 ZINC001291264831 1063565442 /nfs/dbraw/zinc/56/54/42/1063565442.db2.gz JMDQRXDSFQHHGL-YRXWPOIUSA-N 0 0 461.632 2.584 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCc2cccc(C(N)=O)c2)C[C@H](C(F)(F)F)O1 ZINC001291265209 1063565795 /nfs/dbraw/zinc/56/57/95/1063565795.db2.gz QDVAOEHVCQZUIV-DNVCBOLYSA-N 0 0 474.487 2.762 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCc2cccc(C(N)=O)c2)C[C@H](C(F)(F)F)O1 ZINC001291265210 1063565833 /nfs/dbraw/zinc/56/58/33/1063565833.db2.gz QDVAOEHVCQZUIV-HNAYVOBHSA-N 0 0 474.487 2.762 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCSC(F)(F)F)C[C@@H]1N1CCOCC1 ZINC001291265355 1063566335 /nfs/dbraw/zinc/56/63/35/1063566335.db2.gz SFRMUWYAJQUUGJ-WBVHZDCISA-N 0 0 456.538 2.674 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCC(=O)NC(C)(C)C)C[C@H](C(F)(F)F)O1 ZINC001291265433 1063566784 /nfs/dbraw/zinc/56/67/84/1063566784.db2.gz UOICAVXWSHZQJH-GDBMZVCRSA-N 0 0 454.497 2.725 20 0 JFADRN COc1ccccc1NC(=O)COc1ccc(C(=O)N[C@@H](CO)CC(F)(F)F)cc1OC ZINC001295529866 1063567279 /nfs/dbraw/zinc/56/72/79/1063567279.db2.gz JSDZROBUKAZSTF-CQSZACIVSA-N 0 0 456.417 2.764 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCOC(F)(F)F)C[C@@]2(CCCOC2)O1 ZINC001291265981 1063567572 /nfs/dbraw/zinc/56/75/72/1063567572.db2.gz FOEYWEIWVDIPQZ-OXJNMPFZSA-N 0 0 455.481 2.965 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCOc2ccc(F)c(Cl)c2)CC(=O)N1C ZINC001291265941 1063567581 /nfs/dbraw/zinc/56/75/81/1063567581.db2.gz DYOJWKHAOGRKCA-HNNXBMFYSA-N 0 0 458.925 2.802 20 0 JFADRN CSC[C@H](C(=O)NCCSCc1ccnc(Cl)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001295531092 1063567677 /nfs/dbraw/zinc/56/76/77/1063567677.db2.gz VTSWKYLRCLEGTE-OWCLPIDISA-N 0 0 456.033 2.991 20 0 JFADRN COC[C@]1(C(=O)NCCSCc2ccnc(Cl)c2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001295531011 1063567854 /nfs/dbraw/zinc/56/78/54/1063567854.db2.gz UKNSISNIOLRHRE-FQEVSTJZSA-N 0 0 459.996 2.737 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCc2ccc(S(C)(=O)=O)cc2)CC(C)(C)O1 ZINC001291266265 1063568168 /nfs/dbraw/zinc/56/81/68/1063568168.db2.gz JYXXKUPZURSDCJ-GOSISDBHSA-N 0 0 469.611 2.914 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCS(C)(=O)=O)C[C@@H](c2ccsc2)O1 ZINC001291266230 1063568204 /nfs/dbraw/zinc/56/82/04/1063568204.db2.gz JPANWHVQTOYUJR-APWZRJJASA-N 0 0 461.613 2.727 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCc2ccc(S(C)(=O)=O)cc2)CC(C)(C)O1 ZINC001291266266 1063568650 /nfs/dbraw/zinc/56/86/50/1063568650.db2.gz JYXXKUPZURSDCJ-SFHVURJKSA-N 0 0 469.611 2.914 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC(C)(C)O1 ZINC001291266622 1063569096 /nfs/dbraw/zinc/56/90/96/1063569096.db2.gz POCISLDSCDKAHG-MJGOQNOKSA-N 0 0 464.561 2.624 20 0 JFADRN C[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1)NC(=O)OC(C)(C)C ZINC001291266663 1063569476 /nfs/dbraw/zinc/56/94/76/1063569476.db2.gz QPFNTRVPOXRFTH-LLBQEJIASA-N 0 0 486.617 2.950 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCCN(C)C(=O)OC(C)(C)C)CCO1 ZINC001291267511 1063570494 /nfs/dbraw/zinc/57/04/94/1063570494.db2.gz GRHPCDZZPGHAKT-GOSISDBHSA-N 0 0 469.590 2.999 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCN2CCOC(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001291267388 1063570532 /nfs/dbraw/zinc/57/05/32/1063570532.db2.gz DXVPVJHRHVOXKC-FQEVSTJZSA-N 0 0 499.660 2.820 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccncc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC(C)(C)O1 ZINC001291267903 1063570971 /nfs/dbraw/zinc/57/09/71/1063570971.db2.gz MTXZDOXCJQCXJF-HKUYNNGSSA-N 0 0 482.551 2.921 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCCN(C)C(=O)OC(C)(C)C)CCO1 ZINC001291267512 1063571058 /nfs/dbraw/zinc/57/10/58/1063571058.db2.gz GRHPCDZZPGHAKT-SFHVURJKSA-N 0 0 469.590 2.999 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ncnn2C(C)(C)C)C[C@H](C(F)(F)F)O1 ZINC001291267966 1063571606 /nfs/dbraw/zinc/57/16/06/1063571606.db2.gz NIEINDFIUTVJHP-GOEBONIOSA-N 0 0 464.496 2.815 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ncnn2C(C)(C)C)C[C@H](C(F)(F)F)O1 ZINC001291267965 1063571654 /nfs/dbraw/zinc/57/16/54/1063571654.db2.gz NIEINDFIUTVJHP-GDBMZVCRSA-N 0 0 464.496 2.815 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC(=O)NCc2ccco2)C[C@@H](C(F)(F)F)O1 ZINC001291268548 1063573943 /nfs/dbraw/zinc/57/39/43/1063573943.db2.gz YTAAKEUURMLYLO-CJNGLKHVSA-N 0 0 469.489 2.996 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccsc3)n2CC2(S(C)(=O)=O)CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291269030 1063574378 /nfs/dbraw/zinc/57/43/78/1063574378.db2.gz IPUYZHQWDXZTLI-DOTOQJQBSA-N 0 0 495.671 2.857 20 0 JFADRN C[C@H]1CN(c2nnc(CC3CC3)n2CC(C)(C)N2CCOCC2)CCN1C(=O)OC(C)(C)C ZINC001291269586 1063574831 /nfs/dbraw/zinc/57/48/31/1063574831.db2.gz RUTPYCJIHLITFD-SFHVURJKSA-N 0 0 462.639 2.787 20 0 JFADRN C[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291271762 1063576746 /nfs/dbraw/zinc/57/67/46/1063576746.db2.gz GOUJCWFJQWMBHJ-BHIYHBOVSA-N 0 0 481.663 2.795 20 0 JFADRN C[C@H]1CN(c2nnc(CC3CCCC3)n2CCOCCS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC001291271869 1063576833 /nfs/dbraw/zinc/57/68/33/1063576833.db2.gz IIQHTEOKDSOUTK-SFHVURJKSA-N 0 0 499.678 2.518 20 0 JFADRN C[C@H]1CN(c2nnc(CC3CCCC3)n2CCCCCS(C)(=O)=O)C[C@]2(CCOC2)O1 ZINC001291272872 1063577096 /nfs/dbraw/zinc/57/70/96/1063577096.db2.gz ZBBMKJDSMOCWQT-AVRDEDQJSA-N 0 0 454.637 2.610 20 0 JFADRN C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2Cc2ncn(C)n2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291273273 1063578053 /nfs/dbraw/zinc/57/80/53/1063578053.db2.gz GEGJKRXAVSHQMA-QUCCMNQESA-N 0 0 480.617 2.980 20 0 JFADRN C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCS(=O)(=O)N2CCSCC2)C[C@H]1C ZINC001291273320 1063578608 /nfs/dbraw/zinc/57/86/08/1063578608.db2.gz GZXMGLIMHASJGL-RTBURBONSA-N 0 0 463.673 2.534 20 0 JFADRN C[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H]2COCCO2)CCN1CC(F)(F)F ZINC001291273712 1063578874 /nfs/dbraw/zinc/57/88/74/1063578874.db2.gz NOKITGRWXRFFHL-HKUYNNGSSA-N 0 0 453.509 2.552 20 0 JFADRN C[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H](C(F)(F)F)O1 ZINC001291274205 1063579348 /nfs/dbraw/zinc/57/93/48/1063579348.db2.gz VVNXHXXVRAHSDC-QXCFHYIPSA-N 0 0 454.493 2.759 20 0 JFADRN C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@H](C(F)(F)F)O1 ZINC001291274630 1063580008 /nfs/dbraw/zinc/58/00/08/1063580008.db2.gz DNTCTJQNWPMRHQ-BPQIPLTHSA-N 0 0 481.519 2.970 20 0 JFADRN CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)NCC(=O)OCc1ccc(Cl)cc1 ZINC001295545676 1063580895 /nfs/dbraw/zinc/58/08/95/1063580895.db2.gz QBJGGJKWOYJNPB-SFHVURJKSA-N 0 0 452.935 2.916 20 0 JFADRN C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC2(NC(=O)OC(C)(C)C)COC2)C[C@@H](C)O1 ZINC001291274946 1063581293 /nfs/dbraw/zinc/58/12/93/1063581293.db2.gz KHKAREDTIGKNRM-RTBURBONSA-N 0 0 487.601 2.807 20 0 JFADRN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCc3cc(OC)ccc3C2)c1 ZINC001295549850 1063582278 /nfs/dbraw/zinc/58/22/78/1063582278.db2.gz QVVUECWHDURTEQ-MRXNPFEDSA-N 0 0 452.960 2.561 20 0 JFADRN C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)C(F)(F)F)C[C@@]2(CCCOC2)O1 ZINC001291275471 1063583360 /nfs/dbraw/zinc/58/33/60/1063583360.db2.gz RVUNLXZGLMYDSR-MGPUTAFESA-N 0 0 459.513 2.763 20 0 JFADRN C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCCS(C)(=O)=O)C[C@@]2(CCCOC2)O1 ZINC001291275694 1063583894 /nfs/dbraw/zinc/58/38/94/1063583894.db2.gz XCJVGTPGMOSODH-HYBUGGRVSA-N 0 0 476.643 2.662 20 0 JFADRN Cc1ccc(N(C)[C@@H]2CCCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)C2)cc1 ZINC001295551558 1063584644 /nfs/dbraw/zinc/58/46/44/1063584644.db2.gz KNGXWUMLGNYICQ-AOHZBQACSA-N 0 0 453.558 2.766 20 0 JFADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@H](C)O1 ZINC001291276030 1063584780 /nfs/dbraw/zinc/58/47/80/1063584780.db2.gz FAIPVQBAJFZHEL-IYBDPMFKSA-N 0 0 482.507 2.593 20 0 JFADRN C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@H](C)O1 ZINC001291276028 1063584900 /nfs/dbraw/zinc/58/49/00/1063584900.db2.gz FAIPVQBAJFZHEL-HOTGVXAUSA-N 0 0 482.507 2.593 20 0 JFADRN C[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001291276385 1063586084 /nfs/dbraw/zinc/58/60/84/1063586084.db2.gz LBEASYSBTMYARQ-GJZGRUSLSA-N 0 0 452.481 2.877 20 0 JFADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC(=O)Nc2ccccc2)C[C@@H](C(F)(F)F)O1 ZINC001291276589 1063587136 /nfs/dbraw/zinc/58/71/36/1063587136.db2.gz OJLMJXDHTJABEE-WBVHZDCISA-N 0 0 480.491 2.585 20 0 JFADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2ccccc2Cl)CCS1 ZINC001291276794 1063588107 /nfs/dbraw/zinc/58/81/07/1063588107.db2.gz RXXVRMUSLXHGHK-VFNWGFHPSA-N 0 0 450.008 2.903 20 0 JFADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCN(C)C(=O)OC(C)(C)C)C[C@@H](C2CC2)O1 ZINC001291277034 1063589647 /nfs/dbraw/zinc/58/96/47/1063589647.db2.gz WOGSOGBYGNIQTH-MJGOQNOKSA-N 0 0 476.622 2.661 20 0 JFADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCOC[C@H]2CCCO2)CCS1 ZINC001291277512 1063591065 /nfs/dbraw/zinc/59/10/65/1063591065.db2.gz FGZNKGJWOJVEJN-IAGOWNOFSA-N 0 0 465.645 2.797 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC(=O)N1C ZINC001291277507 1063591131 /nfs/dbraw/zinc/59/11/31/1063591131.db2.gz FGGTZEPMTOAPHV-SOLBZPMBSA-N 0 0 492.418 2.838 20 0 JFADRN C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCS(C)(=O)=O)CC(C)(C)C1 ZINC001291277677 1063592416 /nfs/dbraw/zinc/59/24/16/1063592416.db2.gz HUXQLCILGVTPNC-OAHLLOKOSA-N 0 0 453.634 2.577 20 0 JFADRN C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)CC(C)(C)C1)N1CCOCC1 ZINC001291277793 1063592887 /nfs/dbraw/zinc/59/28/87/1063592887.db2.gz KDIQIRXXHZQXMR-MSOLQXFVSA-N 0 0 460.648 2.863 20 0 JFADRN CN(C)c1ccnc(NC(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)c1 ZINC001295560449 1063593916 /nfs/dbraw/zinc/59/39/16/1063593916.db2.gz RQHOWGYXBMCIGP-UHFFFAOYSA-N 0 0 454.508 2.607 20 0 JFADRN C[C@@H]1OCC[C@@]12CN(c1nnc(CNC(=O)c3cccs3)n1CCCOCC(F)F)C[C@@H](C)O2 ZINC001291278013 1063594149 /nfs/dbraw/zinc/59/41/49/1063594149.db2.gz OIQRBDZEHSQCDV-ZMPRRUGASA-N 0 0 499.584 2.714 20 0 JFADRN C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)c2ccccc2F)CCS1 ZINC001291278300 1063594996 /nfs/dbraw/zinc/59/49/96/1063594996.db2.gz SOWBXPLVKGLIRJ-HNNXBMFYSA-N 0 0 488.614 2.780 20 0 JFADRN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC001295562162 1063595394 /nfs/dbraw/zinc/59/53/94/1063595394.db2.gz FGACVNSDSLVWHS-RTWAWAEBSA-N 0 0 454.596 2.549 20 0 JFADRN C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)c2cccs2)CC(C)(C)O1 ZINC001291278424 1063595575 /nfs/dbraw/zinc/59/55/75/1063595575.db2.gz VPQPDXGMAASQDZ-HNNXBMFYSA-N 0 0 488.639 2.765 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@]2(O)CCOC2)C[C@H]1C ZINC001291278372 1063595622 /nfs/dbraw/zinc/59/56/22/1063595622.db2.gz UYLSUBWSHVDDME-QEEYODRMSA-N 0 0 451.365 2.863 20 0 JFADRN C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2nnc(C(C)(C)C)s2)CCO1 ZINC001291278639 1063596914 /nfs/dbraw/zinc/59/69/14/1063596914.db2.gz ZLVSTLJFVRVZLD-ZDUSSCGKSA-N 0 0 461.617 2.692 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCOCCS(C)(=O)=O)CCCO1 ZINC001291279383 1063598819 /nfs/dbraw/zinc/59/88/19/1063598819.db2.gz NKTKQWWLPZCTBA-IBGZPJMESA-N 0 0 494.658 2.831 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCNS(C)(=O)=O)C[C@H](C2CC2)O1 ZINC001291280009 1063601014 /nfs/dbraw/zinc/60/10/14/1063601014.db2.gz YTELNDYDEUHUCV-LAUBAEHRSA-N 0 0 491.658 2.708 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCNC(=O)c2ccn[nH]2)CCO1 ZINC001291279962 1063601077 /nfs/dbraw/zinc/60/10/77/1063601077.db2.gz XUKNCNOCNXFEGQ-KRWDZBQOSA-N 0 0 467.574 2.533 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC2(CS(C)(=O)=O)CC2)CCCO1 ZINC001291279975 1063601107 /nfs/dbraw/zinc/60/11/07/1063601107.db2.gz XZIOJEYSUSMBLI-MRXNPFEDSA-N 0 0 469.007 2.951 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2COCCO2)CCN1CC(F)(F)F ZINC001291280458 1063603264 /nfs/dbraw/zinc/60/32/64/1063603264.db2.gz GQFOYRQNXPUPFJ-YJBOKZPZSA-N 0 0 489.926 2.999 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCC(=O)N(C)C)C[C@]2(CCCOC2)O1 ZINC001291280683 1063604748 /nfs/dbraw/zinc/60/47/48/1063604748.db2.gz KKUBDPUPNJPBCE-SBUREZEXSA-N 0 0 477.993 2.763 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCC2CC2)C[C@H](C(F)(F)F)O1 ZINC001291281204 1063606975 /nfs/dbraw/zinc/60/69/75/1063606975.db2.gz SDYTYJGTXUFBTB-SUMWQHHRSA-N 0 0 471.455 2.678 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCNC(=O)c2ccn[nH]2)C[C@@H](C)O1 ZINC001291281225 1063607013 /nfs/dbraw/zinc/60/70/13/1063607013.db2.gz STVYUQPYBRWEMJ-ZIAGYGMSSA-N 0 0 494.383 2.931 20 0 JFADRN Cc1noc(C(F)(F)F)c1C(=O)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC001295571118 1063607553 /nfs/dbraw/zinc/60/75/53/1063607553.db2.gz TVHHDNUZANXINO-QGZVFWFLSA-N 0 0 450.461 2.951 20 0 JFADRN CC(C)C(=O)NCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001291281892 1063610235 /nfs/dbraw/zinc/61/02/35/1063610235.db2.gz GDIXJGUENQUJHO-GGUMNFRJSA-N 0 0 475.565 2.541 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCCS2(=O)=O)C[C@H](C)O1 ZINC001291281903 1063610911 /nfs/dbraw/zinc/61/09/11/1063610911.db2.gz GHXCLRKYFCYTEC-IXDOHACOSA-N 0 0 452.552 2.577 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCn2cc(CO)nn2)C[C@H](C)S1 ZINC001291282079 1063610951 /nfs/dbraw/zinc/61/09/51/1063610951.db2.gz JXOUTOIIRHLHOP-IYBDPMFKSA-N 0 0 461.567 2.501 20 0 JFADRN CC(C)[C@@H](Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@H](C)C1)N1CCOCC1 ZINC001291282107 1063611725 /nfs/dbraw/zinc/61/17/25/1063611725.db2.gz KLDCCEZYDMLMII-SFHLNBCPSA-N 0 0 461.582 2.967 20 0 JFADRN C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001291282526 1063614054 /nfs/dbraw/zinc/61/40/54/1063614054.db2.gz QSQQNJVRRSYWAY-HZPDHXFCSA-N 0 0 476.553 2.576 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[S@@](=O)C(C)(C)C)C[C@H]1N1CCOCC1 ZINC001291282515 1063614095 /nfs/dbraw/zinc/61/40/95/1063614095.db2.gz QPEXHHGRRKXLII-ADTJAAABSA-N 0 0 493.649 2.700 20 0 JFADRN CCN(Cc1c(F)cccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2ccnc2C1 ZINC001295576077 1063614564 /nfs/dbraw/zinc/61/45/64/1063614564.db2.gz PFEDUWLBOJURMW-HZPDHXFCSA-N 0 0 493.584 2.652 20 0 JFADRN CCN(Cc1c(F)cccc1F)c1nnc(-c2ccc[nH]2)n1CCN1CCCS1(=O)=O ZINC001295576146 1063614592 /nfs/dbraw/zinc/61/45/92/1063614592.db2.gz QVTDCGDKYNPGJI-UHFFFAOYSA-N 0 0 450.515 2.613 20 0 JFADRN 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CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001291386889 1063933733 /nfs/dbraw/zinc/93/37/33/1063933733.db2.gz DJHIBLSOCGFEGD-CLOONOSVSA-N 0 0 472.634 2.778 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(Cc2cn3ccccc3n2)n1C[C@](C)(O)C1CCCCC1 ZINC001295886807 1063934176 /nfs/dbraw/zinc/93/41/76/1063934176.db2.gz VTPXIVCQTGSTLW-DEOSSOPVSA-N 0 0 488.658 2.719 20 0 JFADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCNS(C)(=O)=O ZINC001291386958 1063934263 /nfs/dbraw/zinc/93/42/63/1063934263.db2.gz FCXWMDBMKBYWBR-DJJJIMSYSA-N 0 0 461.991 2.520 20 0 JFADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCNS(C)(=O)=O ZINC001291386957 1063934314 /nfs/dbraw/zinc/93/43/14/1063934314.db2.gz FCXWMDBMKBYWBR-BFUOFWGJSA-N 0 0 461.991 2.520 20 0 JFADRN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCNS(C)(=O)=O ZINC001291386960 1063934590 /nfs/dbraw/zinc/93/45/90/1063934590.db2.gz FCXWMDBMKBYWBR-YJYMSZOUSA-N 0 0 461.991 2.520 20 0 JFADRN 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CCn1cccc(Cn2c(COc3cccc(C)c3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)c1=O ZINC001295951779 1064003666 /nfs/dbraw/zinc/00/36/66/1064003666.db2.gz XAQLTCRQDBQFJA-NRFANRHFSA-N 0 0 478.597 2.700 20 0 JFADRN CCn1cnnc1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001295952896 1064004778 /nfs/dbraw/zinc/00/47/78/1064004778.db2.gz AYOHFOCIHSZLJF-GJZGRUSLSA-N 0 0 482.010 2.601 20 0 JFADRN CCn1cnnc1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001295952887 1064004819 /nfs/dbraw/zinc/00/48/19/1064004819.db2.gz ARDHMQWQDKHSBW-HNNXBMFYSA-N 0 0 472.981 2.823 20 0 JFADRN CC[C@H](C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccsc2)CC1)OC ZINC001291423296 1064005086 /nfs/dbraw/zinc/00/50/86/1064005086.db2.gz KCAZDAHLXSLGIO-ICSRJNTNSA-N 0 0 488.658 2.876 20 0 JFADRN CCn1cnnc1Cn1c(-c2cccc(Cl)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001295953191 1064005079 /nfs/dbraw/zinc/00/50/79/1064005079.db2.gz DGIHEXASEFDJFW-QGZVFWFLSA-N 0 0 463.995 2.662 20 0 JFADRN CCn1cnnc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@@H](SC)C1 ZINC001295953600 1064005456 /nfs/dbraw/zinc/00/54/56/1064005456.db2.gz HJPPIXCCGIBOJM-QGZVFWFLSA-N 0 0 475.644 2.730 20 0 JFADRN CCn1cnnc1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCCS(C)(=O)=O ZINC001295953338 1064005467 /nfs/dbraw/zinc/00/54/67/1064005467.db2.gz FOECGMMMQKZGJP-OAHLLOKOSA-N 0 0 477.660 2.662 20 0 JFADRN CCn1cnnc1Cn1c([C@@H](C)OCCOC)nnc1N1Cc2cccc(Br)c2C1 ZINC001295953807 1064005525 /nfs/dbraw/zinc/00/55/25/1064005525.db2.gz ITPUDNRMJOIRGS-CQSZACIVSA-N 0 0 476.379 2.945 20 0 JFADRN CC[C@H](C)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cccnn2)CC1)OC ZINC001291423681 1064005827 /nfs/dbraw/zinc/00/58/27/1064005827.db2.gz ORLRLZJHIDCNOB-QFBILLFUSA-N 0 0 456.620 2.812 20 0 JFADRN CC[C@H](C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1)OC ZINC001291424013 1064006140 /nfs/dbraw/zinc/00/61/40/1064006140.db2.gz SEGAGRVEUSIORQ-QFBILLFUSA-N 0 0 475.663 2.862 20 0 JFADRN CCn1cnnc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 ZINC001295954270 1064006196 /nfs/dbraw/zinc/00/61/96/1064006196.db2.gz CLNIXKRLCJZJCA-KRWDZBQOSA-N 0 0 475.557 2.748 20 0 JFADRN CC[C@@H](C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1)OC ZINC001291424011 1064006239 /nfs/dbraw/zinc/00/62/39/1064006239.db2.gz SEGAGRVEUSIORQ-APWZRJJASA-N 0 0 475.663 2.862 20 0 JFADRN CC[C@H](C)[C@H](Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1)OC ZINC001291424283 1064006482 /nfs/dbraw/zinc/00/64/82/1064006482.db2.gz WCAXWTISWWEFGS-CUWPLCDZSA-N 0 0 457.575 2.774 20 0 JFADRN CC[C@H](C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)OC ZINC001291424338 1064006990 /nfs/dbraw/zinc/00/69/90/1064006990.db2.gz WNVBTKJYKGCZSD-OTWHNJEPSA-N 0 0 478.638 2.813 20 0 JFADRN CC[C@H](C)[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N(C)CC(=O)N1CCOCC1)OC ZINC001291424482 1064007291 /nfs/dbraw/zinc/00/72/91/1064007291.db2.gz YGARAKGDVMIDAW-UGKGYDQZSA-N 0 0 468.602 2.637 20 0 JFADRN CC[C@@H](C)[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N(C)CC(=O)N1CCOCC1)OC ZINC001291424479 1064007298 /nfs/dbraw/zinc/00/72/98/1064007298.db2.gz YGARAKGDVMIDAW-DENIHFKCSA-N 0 0 468.602 2.637 20 0 JFADRN CCn1cnnc1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H](C)C(=O)NC ZINC001295956623 1064007552 /nfs/dbraw/zinc/00/75/52/1064007552.db2.gz XWXFIOGNOLNKSQ-HNNXBMFYSA-N 0 0 456.620 2.754 20 0 JFADRN Cc1cc(C(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)c(C)n1-c1cnccn1 ZINC001295957319 1064007971 /nfs/dbraw/zinc/00/79/71/1064007971.db2.gz VHRQQCXNUGDWLD-UHFFFAOYSA-N 0 0 452.946 2.934 20 0 JFADRN CC[C@H](C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](n2cncn2)C1)OC ZINC001291425278 1064008091 /nfs/dbraw/zinc/00/80/91/1064008091.db2.gz ILKKWOFGEHPTDF-RCCFBDPRSA-N 0 0 472.619 2.764 20 0 JFADRN CC[C@H](C)[C@@H](Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C)OC ZINC001291426064 1064009255 /nfs/dbraw/zinc/00/92/55/1064009255.db2.gz UAKOOYKNJFMJLM-NPPFBWRTSA-N 0 0 459.591 2.984 20 0 JFADRN CC[C@@H](C)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccco2)CC1)OC ZINC001291427338 1064010189 /nfs/dbraw/zinc/01/01/89/1064010189.db2.gz JEBLZKXWCVWRLH-ZFMNYDKASA-N 0 0 475.590 2.619 20 0 JFADRN CC[C@H](C)c1nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n1CCNc1nccc(C(F)(F)F)n1 ZINC001291427524 1064010556 /nfs/dbraw/zinc/01/05/56/1064010556.db2.gz LHAZUJKPWQHHOH-IHRRRGAJSA-N 0 0 477.557 2.970 20 0 JFADRN CC[C@@H](C)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2F)CC1)OC ZINC001291428211 1064011311 /nfs/dbraw/zinc/01/13/11/1064011311.db2.gz UDURHICMWSQSAV-JYRKZWEQSA-N 0 0 476.597 2.924 20 0 JFADRN CC[C@@H](C)c1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CCC(=O)N1CCOCC1 ZINC001291428044 1064011329 /nfs/dbraw/zinc/01/13/29/1064011329.db2.gz REOKMHFRGVMCGX-QZTJIDSGSA-N 0 0 477.631 2.641 20 0 JFADRN CCn1cnnc1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001295962377 1064011566 /nfs/dbraw/zinc/01/15/66/1064011566.db2.gz DTWCFEAKZLAVJT-IBGZPJMESA-N 0 0 488.637 2.914 20 0 JFADRN Cc1cc(NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)ccc1C(=O)OC(C)(C)C ZINC001295962473 1064012006 /nfs/dbraw/zinc/01/20/06/1064012006.db2.gz GNZLOKRMUTYZAB-UHFFFAOYSA-N 0 0 453.543 2.808 20 0 JFADRN CC[C@@H](C)c1nnc(N(C)[C@H](C)CS(=O)(=O)CC)n1CCn1cc(Br)cn1 ZINC001291431100 1064012479 /nfs/dbraw/zinc/01/24/79/1064012479.db2.gz JVRIYIRPRQSLQH-ZIAGYGMSSA-N 0 0 461.430 2.710 20 0 JFADRN CC[C@@H](C)c1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CCCn1cc(CO)nn1 ZINC001291433752 1064013621 /nfs/dbraw/zinc/01/36/21/1064013621.db2.gz CBCRMIOKDQOMRO-LJQANCHMSA-N 0 0 480.617 2.707 20 0 JFADRN CCn1cnnc1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001295966840 1064014112 /nfs/dbraw/zinc/01/41/12/1064014112.db2.gz ISYKTGQCFVOXHW-SFHVURJKSA-N 0 0 481.605 2.665 20 0 JFADRN CCn1cnnc1Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001295967519 1064014631 /nfs/dbraw/zinc/01/46/31/1064014631.db2.gz QGMMZBHBDNGYNR-GOSISDBHSA-N 0 0 482.589 2.663 20 0 JFADRN CC[C@H](C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001291434206 1064014838 /nfs/dbraw/zinc/01/48/38/1064014838.db2.gz KCMUGHSPRDVZIA-NMEJYPJZSA-N 0 0 481.688 2.579 20 0 JFADRN CC[C@@H](C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1Cc1ccccc1-n1ccnc1 ZINC001291434745 1064015470 /nfs/dbraw/zinc/01/54/70/1064015470.db2.gz SLJLSZDKZRMBCD-GOSISDBHSA-N 0 0 471.631 2.886 20 0 JFADRN CC[C@@H](C)c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@@H]1CCN(c2ccccc2F)C1 ZINC001291435506 1064016271 /nfs/dbraw/zinc/01/62/71/1064016271.db2.gz FANKKVJTDKZGAA-RTBURBONSA-N 0 0 458.582 2.752 20 0 JFADRN CCn1cnnc1Cn1c(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295969442 1064016669 /nfs/dbraw/zinc/01/66/69/1064016669.db2.gz WMGGSFRKIFJZMZ-YRNRMSPPSA-N 0 0 453.538 2.706 20 0 JFADRN CCn1cnnc1Cn1c(COc2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001295969623 1064016978 /nfs/dbraw/zinc/01/69/78/1064016978.db2.gz ZEPSYTSZRKGETF-UHFFFAOYSA-N 0 0 469.443 2.550 20 0 JFADRN CCn1cnnc1Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001295969495 1064017026 /nfs/dbraw/zinc/01/70/26/1064017026.db2.gz YJULEKQGDILPBY-UHFFFAOYSA-N 0 0 498.657 2.933 20 0 JFADRN CCn1cnnc1Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001295969606 1064017057 /nfs/dbraw/zinc/01/70/57/1064017057.db2.gz YROBJOUONFLWBN-MRXNPFEDSA-N 0 0 451.453 2.593 20 0 JFADRN Cc1cc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc(C)c1Cl ZINC001295970492 1064017374 /nfs/dbraw/zinc/01/73/74/1064017374.db2.gz HICQBVRMDNAWCA-UHFFFAOYSA-N 0 0 454.932 2.701 20 0 JFADRN CCCS(=O)(=O)c1ccccc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC001295971020 1064017916 /nfs/dbraw/zinc/01/79/16/1064017916.db2.gz PTJNXGKGSVDAFN-UHFFFAOYSA-N 0 0 452.554 2.613 20 0 JFADRN CC[C@H](C)c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@H]1CCCN1c1cc(NC)ncn1 ZINC001291438451 1064017937 /nfs/dbraw/zinc/01/79/37/1064017937.db2.gz DIAZMWGMLKSNRV-QFBILLFUSA-N 0 0 452.611 2.971 20 0 JFADRN CC[C@@H](C)c1nnc(N(C)Cc2cc(OC)ccc2Br)n1CCNS(C)(=O)=O ZINC001291441401 1064018303 /nfs/dbraw/zinc/01/83/03/1064018303.db2.gz KVLFTVGBEMXAFC-CYBMUJFWSA-N 0 0 474.425 2.748 20 0 JFADRN CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC(CCO)CC1 ZINC001295972591 1064018358 /nfs/dbraw/zinc/01/83/58/1064018358.db2.gz NMCSCJXOIHMZPS-OAQYLSRUSA-N 0 0 450.626 2.861 20 0 JFADRN CC[C@@H](C)c1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CCS(=O)(=O)N1CCSCC1 ZINC001291444780 1064019478 /nfs/dbraw/zinc/01/94/78/1064019478.db2.gz YZYRCPZULYYBTP-QGZVFWFLSA-N 0 0 495.671 2.578 20 0 JFADRN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCCS2(=O)=O)C[C@H]1C ZINC001295975495 1064019862 /nfs/dbraw/zinc/01/98/62/1064019862.db2.gz DMXUNIVWVRJUBC-FGSXEWAUSA-N 0 0 491.658 2.849 20 0 JFADRN CC[C@H](C)c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001291452791 1064020573 /nfs/dbraw/zinc/02/05/73/1064020573.db2.gz XQJLFECVVKWEDG-FXAWDEMLSA-N 0 0 458.582 2.594 20 0 JFADRN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCCS2(=O)=O)C[C@@H]1C ZINC001295976149 1064021659 /nfs/dbraw/zinc/02/16/59/1064021659.db2.gz IKHXLEBZVYLWKG-ZOBUZTSGSA-N 0 0 499.479 2.922 20 0 JFADRN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCCS2(=O)=O)C[C@H]1C ZINC001295976147 1064021688 /nfs/dbraw/zinc/02/16/88/1064021688.db2.gz IKHXLEBZVYLWKG-VYDXJSESSA-N 0 0 499.479 2.922 20 0 JFADRN CC[C@H](C)c1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1Cc1cccn(CC)c1=O ZINC001291456503 1064022584 /nfs/dbraw/zinc/02/25/84/1064022584.db2.gz ROCJYEJLQTWUHT-KRWDZBQOSA-N 0 0 462.554 2.754 20 0 JFADRN CC[C@H](C)c1nnc(N(C)CCN2CCOCC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 ZINC001291457682 1064023840 /nfs/dbraw/zinc/02/38/40/1064023840.db2.gz QVFHHBNYTARQBD-SFHVURJKSA-N 0 0 452.607 2.806 20 0 JFADRN CC[C@@H](C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccnc(-n2cccn2)c1 ZINC001291457751 1064023963 /nfs/dbraw/zinc/02/39/63/1064023963.db2.gz SCIOCTWZSABYRU-AQNXPRMDSA-N 0 0 452.607 2.966 20 0 JFADRN CC[C@@H](C)c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1 ZINC001291461000 1064025691 /nfs/dbraw/zinc/02/56/91/1064025691.db2.gz FWQWJPRMQUKCLF-KGLIPLIRSA-N 0 0 460.526 2.857 20 0 JFADRN CC[C@H](C)c1nnc(N(Cc2cccs2)C[C@H]2CCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001291464935 1064027475 /nfs/dbraw/zinc/02/74/75/1064027475.db2.gz BRLYZHYNBHVOOB-FVJLSDCUSA-N 0 0 468.645 2.588 20 0 JFADRN O=C(Nc1cc(Br)ccc1O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC001295979628 1064027463 /nfs/dbraw/zinc/02/74/63/1064027463.db2.gz RDUIEHNGQLUYAG-UHFFFAOYSA-N 0 0 455.330 2.552 20 0 JFADRN CC[C@H](C)c1nnc(N(CCCOC)[C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCO2 ZINC001291467020 1064028320 /nfs/dbraw/zinc/02/83/20/1064028320.db2.gz PDEJDQBUSDIDKX-WMZOPIPTSA-N 0 0 464.588 2.599 20 0 JFADRN CC[C@@H](C)c1nnc(N(CCO)Cc2ccccc2)n1C[C@@]1(N2CCOCC2)CCSC1 ZINC001291467598 1064028596 /nfs/dbraw/zinc/02/85/96/1064028596.db2.gz ZSUIMTWOQRUGCK-YKSBVNFPSA-N 0 0 459.660 2.998 20 0 JFADRN CCn1cnnc1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001295980164 1064029123 /nfs/dbraw/zinc/02/91/23/1064029123.db2.gz QSVVAAPIKRBLMX-FGTMMUONSA-N 0 0 474.610 2.919 20 0 JFADRN CC[C@H](C)c1nnc(N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)n1Cc1nnc2n1CCCCC2 ZINC001291469299 1064029310 /nfs/dbraw/zinc/02/93/10/1064029310.db2.gz 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ZINC001292276541 1065052948 /nfs/dbraw/zinc/05/29/48/1065052948.db2.gz DECMVCGXZGQVAY-UHFFFAOYSA-N 0 0 458.592 2.541 20 0 JFADRN CCC(O)(CC)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001292277462 1065054021 /nfs/dbraw/zinc/05/40/21/1065054021.db2.gz TYPJIAQCASJPKF-UHFFFAOYSA-N 0 0 471.993 2.846 20 0 JFADRN CCC(O)(CC)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001292277396 1065054063 /nfs/dbraw/zinc/05/40/63/1065054063.db2.gz RMNAXQXPJBVVBH-UHFFFAOYSA-N 0 0 468.577 2.865 20 0 JFADRN CCC(O)(CC)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001292280854 1065055883 /nfs/dbraw/zinc/05/58/83/1065055883.db2.gz YUEYBEQUGANTSU-RDJZCZTQSA-N 0 0 490.008 2.684 20 0 JFADRN CCC(O)(CC)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC001292283863 1065057635 /nfs/dbraw/zinc/05/76/35/1065057635.db2.gz IBAHNWASKMSABY-LJQANCHMSA-N 0 0 492.617 2.970 20 0 JFADRN CCC(O)(CC)Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001292284026 1065057649 /nfs/dbraw/zinc/05/76/49/1065057649.db2.gz KSPODDVZNNCXEW-WMZOPIPTSA-N 0 0 450.605 2.934 20 0 JFADRN CCC(O)(CC)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001292284405 1065058305 /nfs/dbraw/zinc/05/83/05/1065058305.db2.gz QDHADDMINVOMLC-PXNSSMCTSA-N 0 0 478.615 2.745 20 0 JFADRN CCC(O)(CC)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001292284487 1065058526 /nfs/dbraw/zinc/05/85/26/1065058526.db2.gz RZDJGMULVNMFDP-ZWKOTPCHSA-N 0 0 481.638 2.999 20 0 JFADRN CCC(O)(CC)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001292284533 1065058551 /nfs/dbraw/zinc/05/85/51/1065058551.db2.gz OJNXBVPDXVOADD-HOYKHHGWSA-N 0 0 490.649 2.660 20 0 JFADRN CCC(O)(CC)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCCC(=O)NC ZINC001292284974 1065059190 /nfs/dbraw/zinc/05/91/90/1065059190.db2.gz RMUMWUVAEJTZQN-UHFFFAOYSA-N 0 0 480.654 2.906 20 0 JFADRN CCC(O)(CC)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001292285400 1065059561 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0 0 485.629 2.832 20 0 JFADRN CCC(O)(CC)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001292292784 1065064721 /nfs/dbraw/zinc/06/47/21/1065064721.db2.gz BOTYKJIJOQSZFV-UHFFFAOYSA-N 0 0 469.565 2.972 20 0 JFADRN CCC(O)(CC)Cn1c(COc2ccccc2OC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001292294083 1065065992 /nfs/dbraw/zinc/06/59/92/1065065992.db2.gz RDEKTJNRVVNTBC-SFHVURJKSA-N 0 0 480.631 2.820 20 0 JFADRN CC[C@@]1(C)CC[C@@H](Cn2c(C(C)C)nnc2N2CCN(CC(=O)Nc3cc(C)on3)CC2)O1 ZINC001292294752 1065066548 /nfs/dbraw/zinc/06/65/48/1065066548.db2.gz CGYMPEWDCZJVFE-MBSDFSHPSA-N 0 0 459.595 2.806 20 0 JFADRN CC[C@]1(C)CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](COC(C)C)C2)O1 ZINC001292294972 1065066930 /nfs/dbraw/zinc/06/69/30/1065066930.db2.gz DMXUOZHGRDYVSI-YDIMBITNSA-N 0 0 472.590 2.903 20 0 JFADRN CC[C@@]1(C)CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCNC(=O)CC2)O1 ZINC001292295549 1065067253 /nfs/dbraw/zinc/06/72/53/1065067253.db2.gz HJSDQSJNBQKYJH-CYFREDJKSA-N 0 0 454.575 2.821 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(OC[C@@H]3CCOC3)CC2)O1 ZINC001292295535 1065067321 /nfs/dbraw/zinc/06/73/21/1065067321.db2.gz GZQYAKVLRUNZDT-LJFZDNNRSA-N 0 0 463.623 2.786 20 0 JFADRN CC[C@]1(C)CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)O1 ZINC001292296350 1065067897 /nfs/dbraw/zinc/06/78/97/1065067897.db2.gz KNSSHQOBDKTAOJ-YGKZAACZSA-N 0 0 464.611 2.867 20 0 JFADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3sc(N4CCOCC4)nc3C)nnc2N(C)CCOC)O1 ZINC001292298749 1065069423 /nfs/dbraw/zinc/06/94/23/1065069423.db2.gz GSSYODQZEUIPNX-JTSKRJEESA-N 0 0 464.636 2.977 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](COC)C2)O1 ZINC001292301022 1065072063 /nfs/dbraw/zinc/07/20/63/1065072063.db2.gz USQQLTWZZDRDKS-YCRNBWNJSA-N 0 0 478.615 2.548 20 0 JFADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3cccnc3)nnc2N2CCC(NS(=O)(=O)CC)CC2)O1 ZINC001292301897 1065072369 /nfs/dbraw/zinc/07/23/69/1065072369.db2.gz DBQJSHXPZYQADY-KNQAVFIVSA-N 0 0 462.620 2.596 20 0 JFADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccccn3)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)O1 ZINC001292302601 1065073122 /nfs/dbraw/zinc/07/31/22/1065073122.db2.gz HVPBDFDTFURNPM-XXBNENTESA-N 0 0 476.647 2.938 20 0 JFADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccccc3OC)nnc2N2CCN(CCOC)C(=O)C2)O1 ZINC001292302904 1065073494 /nfs/dbraw/zinc/07/34/94/1065073494.db2.gz JCEIYLZUNHQXLK-HOYKHHGWSA-N 0 0 457.575 2.596 20 0 JFADRN Cn1cc(CCC(=O)N2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c2ccccc21 ZINC001292302976 1065073756 /nfs/dbraw/zinc/07/37/56/1065073756.db2.gz CAHGWOJXNNXPAC-IBGZPJMESA-N 0 0 456.587 2.990 20 0 JFADRN Cc1nnc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C3)cc2)o1 ZINC001292305407 1065075629 /nfs/dbraw/zinc/07/56/29/1065075629.db2.gz WUSRBJGESIUTAM-GOSISDBHSA-N 0 0 457.531 2.538 20 0 JFADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C(C)C)CC2)O1 ZINC001292305965 1065076276 /nfs/dbraw/zinc/07/62/76/1065076276.db2.gz USOMNKCBDFFMJF-ZRCGQRJVSA-N 0 0 483.679 2.831 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)CC(=O)NC(C)C)O1 ZINC001292306841 1065076929 /nfs/dbraw/zinc/07/69/29/1065076929.db2.gz ZGZRXKCNAHGOKE-SSOJOUAXSA-N 0 0 481.601 2.501 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(CCOc3ccccc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)O1 ZINC001292307781 1065077141 /nfs/dbraw/zinc/07/71/41/1065077141.db2.gz AIUOESPRTITNEC-WRALFONMSA-N 0 0 471.602 2.589 20 0 JFADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCC(NS(=O)(=O)CC)CC2)O1 ZINC001292308183 1065077257 /nfs/dbraw/zinc/07/72/57/1065077257.db2.gz BATDCBGHAKQYLQ-NFBKMPQASA-N 0 0 476.647 2.520 20 0 JFADRN CC[C@]1(C)CC[C@H](Cn2c(CCOc3ccccc3)nnc2N2CCO[C@H](CNC(C)=O)C2)O1 ZINC001292307779 1065077305 /nfs/dbraw/zinc/07/73/05/1065077305.db2.gz AIUOESPRTITNEC-TZBSWOFLSA-N 0 0 471.602 2.589 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](CNC(C)=O)C2)O1 ZINC001292310561 1065078227 /nfs/dbraw/zinc/07/82/27/1065078227.db2.gz OBRIYIQINGQKLW-HOOSLVGPSA-N 0 0 477.556 2.836 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CCN(C(=O)COC)CC2)O1 ZINC001292312423 1065079804 /nfs/dbraw/zinc/07/98/04/1065079804.db2.gz YQMGGRRWDWKASL-NBGIEHNGSA-N 0 0 471.602 2.520 20 0 JFADRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccccc3F)nnc2N2CCN(CC(=O)N(C)C)CC2)O1 ZINC001292313384 1065080653 /nfs/dbraw/zinc/08/06/53/1065080653.db2.gz NMFGAGXUAKFPHA-DFBJGRDBSA-N 0 0 488.608 2.554 20 0 JFADRN CC[C@]1(C)CC[C@H](Cn2c(N3CCC(C(=O)NC)CC3)nnc2[C@]2(OC(C)C)CCOC2)O1 ZINC001292313553 1065080964 /nfs/dbraw/zinc/08/09/64/1065080964.db2.gz PECJXUOYPMTXOE-FOVJLYNBSA-N 0 0 463.623 2.629 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccccc3OC)nnc2N2CC(=O)N(C)[C@H](C)C2)O1 ZINC001292314805 1065081957 /nfs/dbraw/zinc/08/19/57/1065081957.db2.gz VUENHAOMEWJKIN-NXMSCROESA-N 0 0 457.575 2.880 20 0 JFADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccccc3OC)nnc2N2CC(=O)N(C)[C@@H](C)C2)O1 ZINC001292314803 1065082033 /nfs/dbraw/zinc/08/20/33/1065082033.db2.gz VUENHAOMEWJKIN-HOOSLVGPSA-N 0 0 457.575 2.880 20 0 JFADRN CC[C@@]1(C)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001292318605 1065083508 /nfs/dbraw/zinc/08/35/08/1065083508.db2.gz MKLPYUFVDIYBJN-FCHUYYIVSA-N 0 0 454.637 2.770 20 0 JFADRN CC[C@@]1(C)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001292319263 1065083684 /nfs/dbraw/zinc/08/36/84/1065083684.db2.gz QTTLOOZGLUPBHP-LEWJYISDSA-N 0 0 470.542 2.723 20 0 JFADRN CC[C@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001292319483 1065083785 /nfs/dbraw/zinc/08/37/85/1065083785.db2.gz QJYYJYQJAOMAMA-CKJXQJPGSA-N 0 0 472.656 2.770 20 0 JFADRN CC[C@@]1(C)CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)CN2CCOCC2)C1 ZINC001292324276 1065085662 /nfs/dbraw/zinc/08/56/62/1065085662.db2.gz VXJIECNOHLJLDG-DVECYGJZSA-N 0 0 475.659 2.943 20 0 JFADRN CC[C@@]1(C)CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001292324730 1065086013 /nfs/dbraw/zinc/08/60/13/1065086013.db2.gz ZBNMQDAFDKDADV-DVECYGJZSA-N 0 0 488.658 2.737 20 0 JFADRN 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CVGVKBNLGHGTII-JSGCOSHPSA-N 0 0 481.648 2.952 20 0 JFADRN CCc1cnc(CN(C)c2nnc(C(=O)NC(C)C)n2CC(=O)Nc2ccc(F)cc2)s1 ZINC001292633458 1065370814 /nfs/dbraw/zinc/37/08/14/1065370814.db2.gz FWMDOKIQJPQANC-UHFFFAOYSA-N 0 0 459.551 2.849 20 0 JFADRN CCc1cnc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2c(C)noc2C)s1 ZINC001292633385 1065370823 /nfs/dbraw/zinc/37/08/23/1065370823.db2.gz CVGVKBNLGHGTII-TZMCWYRMSA-N 0 0 481.648 2.952 20 0 JFADRN CCc1cnc(CN(C)c2nnc(-c3cccc(Br)c3)n2Cc2nnn(C)n2)s1 ZINC001292633958 1065371701 /nfs/dbraw/zinc/37/17/01/1065371701.db2.gz KNBFLEPHORQQOZ-UHFFFAOYSA-N 0 0 474.392 2.935 20 0 JFADRN CCc1cnc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([S@](C)=O)CC2)s1 ZINC001292634415 1065372270 /nfs/dbraw/zinc/37/22/70/1065372270.db2.gz QNPDASKCABMUCW-BGOLNKOXSA-N 0 0 467.661 2.885 20 0 JFADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c1 ZINC001292634726 1065372940 /nfs/dbraw/zinc/37/29/40/1065372940.db2.gz FMNOCTPVPSGSKV-DEOSSOPVSA-N 0 0 452.511 2.947 20 0 JFADRN CCc1cnc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(F)ccc2F)s1 ZINC001292635887 1065373433 /nfs/dbraw/zinc/37/34/33/1065373433.db2.gz ZZGLRHPPFFETRC-GFCCVEGCSA-N 0 0 470.571 2.870 20 0 JFADRN CCc1cnc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCSC2)s1 ZINC001292635593 1065373464 /nfs/dbraw/zinc/37/34/64/1065373464.db2.gz XMYLADVRTFWTLV-UONOGXRCSA-N 0 0 458.679 2.687 20 0 JFADRN CCc1cnc(CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)coc2C)s1 ZINC001292642211 1065378137 /nfs/dbraw/zinc/37/81/37/1065378137.db2.gz SYTKIWJGTDATIY-SFHVURJKSA-N 0 0 494.643 2.524 20 0 JFADRN CCc1cnc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)[C@H](C)CC)s1 ZINC001292642518 1065378671 /nfs/dbraw/zinc/37/86/71/1065378671.db2.gz VTAPANLIELAWSN-BFYDXBDKSA-N 0 0 455.650 2.897 20 0 JFADRN CCc1cnc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CSCCS2)s1 ZINC001292642864 1065379287 /nfs/dbraw/zinc/37/92/87/1065379287.db2.gz ZAZORMGVPVVWCR-UKRRQHHQSA-N 0 0 473.715 2.684 20 0 JFADRN 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YOBFDJSNLKWGAL-UHFFFAOYSA-N 0 0 461.521 2.732 20 0 JFADRN CCc1nc(CCn2c(Cc3ccc(F)cc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)no1 ZINC001292712582 1065469817 /nfs/dbraw/zinc/46/98/17/1065469817.db2.gz QGMDHEPCXPLWAF-UHFFFAOYSA-N 0 0 484.580 2.826 20 0 JFADRN CCc1nc(CCn2c(CCOc3ccccc3)nnc2N2CC[C@](C)(C(N)=O)C2)cs1 ZINC001292717381 1065472494 /nfs/dbraw/zinc/47/24/94/1065472494.db2.gz GSGOWYJAOUMHQZ-QHCPKHFHSA-N 0 0 454.600 2.863 20 0 JFADRN CCc1nc(CCn2c(CCCc3ccccc3)nnc2N2CCS(=O)(=O)CC2)cs1 ZINC001292718402 1065474625 /nfs/dbraw/zinc/47/46/25/1065474625.db2.gz OKQQQRGKNCXZOK-UHFFFAOYSA-N 0 0 459.641 2.950 20 0 JFADRN CCc1nc(CCn2c(CCc3ccccc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cs1 ZINC001292718515 1065475540 /nfs/dbraw/zinc/47/55/40/1065475540.db2.gz QJALGMBGPATENC-SFHVURJKSA-N 0 0 488.683 2.795 20 0 JFADRN CCc1nc(CCn2c(COc3cc(C)cc(C)c3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)no1 ZINC001292718884 1065476284 /nfs/dbraw/zinc/47/62/84/1065476284.db2.gz RXUCMXSZXJLXJD-SFHVURJKSA-N 0 0 488.614 2.675 20 0 JFADRN CCc1nc(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC(CC(N)=O)CC2)no1 ZINC001292718920 1065476333 /nfs/dbraw/zinc/47/63/33/1065476333.db2.gz SYFYLZVKGFVFRW-UHFFFAOYSA-N 0 0 473.965 2.790 20 0 JFADRN O=C(c1ccc(Br)cc1-n1cnnn1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001292719307 1065477635 /nfs/dbraw/zinc/47/76/35/1065477635.db2.gz FHWSTWXVIBHEOE-KRWDZBQOSA-N 0 0 450.243 2.917 20 0 JFADRN CCc1nc(CCn2c(CCc3ccc(OC)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cs1 ZINC001292719239 1065477642 /nfs/dbraw/zinc/47/76/42/1065477642.db2.gz YEWDLWRGTKLDTA-LJQANCHMSA-N 0 0 489.667 2.957 20 0 JFADRN CCc1nc(CN(C)c2nnc(C(=O)NC(C)C)n2CCOc2ccc3c(c2)OCO3)cs1 ZINC001292720022 1065480102 /nfs/dbraw/zinc/48/01/02/1065480102.db2.gz AREVNLUTLMGLPT-UHFFFAOYSA-N 0 0 472.571 2.879 20 0 JFADRN CCc1nc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](C)O[C@H](COC)C2)no1 ZINC001292721488 1065483615 /nfs/dbraw/zinc/48/36/15/1065483615.db2.gz UQHVKXSEGKYRNB-MIALQEHNSA-N 0 0 462.595 2.625 20 0 JFADRN 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CCc1nnc(N(CCO)Cc2ccc(OC)cc2OC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001292889452 1065587260 /nfs/dbraw/zinc/58/72/60/1065587260.db2.gz QMUDYGUXQCZSNN-RDPSFJRHSA-N 0 0 460.575 2.585 20 0 JFADRN C[C@@H](CC(=O)N1CCC(C2N=NC(=S)N2C2CC2)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC001292890252 1065587588 /nfs/dbraw/zinc/58/75/88/1065587588.db2.gz VPXQZYZEJJOVBG-ZDUSSCGKSA-N 0 0 452.577 2.999 20 0 JFADRN CCc1nnc(N(CCOC)[C@@H]2CC[C@H](C)C2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O ZINC001292890892 1065587625 /nfs/dbraw/zinc/58/76/25/1065587625.db2.gz COOSCUUYRIAEJQ-MTQWCTHYSA-N 0 0 453.653 2.686 20 0 JFADRN CCc1nnc(N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)n1Cc1ccc(N2CCCCC2)nc1 ZINC001292891964 1065588404 /nfs/dbraw/zinc/58/84/04/1065588404.db2.gz BZAVORXYXSUHHH-CTNGQTDRSA-N 0 0 469.634 2.642 20 0 JFADRN CCc1nnc(N(CCO)Cc2ccccc2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C ZINC001292891576 1065588531 /nfs/dbraw/zinc/58/85/31/1065588531.db2.gz OAEOQPSTGKSBKT-ACRUOGEOSA-N 0 0 471.602 2.864 20 0 JFADRN 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CCc1nnc(N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)n1Cc1ccccc1OC(F)F ZINC001292894746 1065596417 /nfs/dbraw/zinc/59/64/17/1065596417.db2.gz WDXMPKLWPJSCNU-WBVHZDCISA-N 0 0 451.518 2.858 20 0 JFADRN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)n2)cc1 ZINC001292896651 1065596849 /nfs/dbraw/zinc/59/68/49/1065596849.db2.gz DIFTZFCAZKKUQV-SFHVURJKSA-N 0 0 456.499 2.566 20 0 JFADRN O=C(NCCS(=O)(=O)NCC1CCC1)c1ccc(Br)cc1Br ZINC001292899164 1065597264 /nfs/dbraw/zinc/59/72/64/1065597264.db2.gz KGYJPXFKCBQKOI-UHFFFAOYSA-N 0 0 454.184 2.661 20 0 JFADRN CCc1nnc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001292900021 1065598132 /nfs/dbraw/zinc/59/81/32/1065598132.db2.gz RJVOQFNCGKKVGI-AEFFLSMTSA-N 0 0 468.524 2.576 20 0 JFADRN CCc1nnc(N2C[C@H](N3CCOCC3)[C@@H](CC)C2)n1CCc1c(OC)cc(OC)cc1OC ZINC001292905435 1065598509 /nfs/dbraw/zinc/59/85/09/1065598509.db2.gz ASYSLMFDSPMLHD-RXVVDRJESA-N 0 0 473.618 2.656 20 0 JFADRN CCc1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1Cc1ccnc(OCC(F)(F)F)c1 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JFADRN CC[C@H]1C(=O)NCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC(=O)N(C)C ZINC001293216929 1065856857 /nfs/dbraw/zinc/85/68/57/1065856857.db2.gz LEQPMXVQCBBUMF-KRWDZBQOSA-N 0 0 467.599 2.570 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](COC)OC ZINC001293217155 1065857204 /nfs/dbraw/zinc/85/72/04/1065857204.db2.gz LWKFOVRITGSPOS-CZUORRHYSA-N 0 0 486.798 2.737 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Br)cc2Cl)n1CCCNC(C)=O ZINC001293217066 1065857210 /nfs/dbraw/zinc/85/72/10/1065857210.db2.gz LHRBOGGXKFVIPI-MRXNPFEDSA-N 0 0 483.798 2.602 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(OC)c2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001293217168 1065857885 /nfs/dbraw/zinc/85/78/85/1065857885.db2.gz FSUHLVMBGYEAIU-GOSISDBHSA-N 0 0 472.590 2.972 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(OC)c2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001293217170 1065857968 /nfs/dbraw/zinc/85/79/68/1065857968.db2.gz FSUHLVMBGYEAIU-SFHVURJKSA-N 0 0 472.590 2.972 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(CSC)c1 ZINC001293217361 1065858429 /nfs/dbraw/zinc/85/84/29/1065858429.db2.gz LRSYYLVXFOBAAQ-GBXCKJPGSA-N 0 0 473.643 2.945 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc([C@@H](C)OCCOC)n1CCc1c[nH]c2cccc(C)c12 ZINC001293217439 1065858976 /nfs/dbraw/zinc/85/89/76/1065858976.db2.gz MQPXIBBNJMLGET-XLIONFOSSA-N 0 0 454.575 2.749 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(Br)cn2C)n1Cc1ccccc1OC ZINC001293217578 1065859736 /nfs/dbraw/zinc/85/97/36/1065859736.db2.gz HBPRYWVYBDSIDF-MRXNPFEDSA-N 0 0 473.375 2.818 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)Oc1cccc(C)c1 ZINC001293217780 1065860267 /nfs/dbraw/zinc/86/02/67/1065860267.db2.gz MVQUQEJXBWXMBY-ZJCBTPCYSA-N 0 0 471.602 2.809 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCS1(=O)=O ZINC001293218388 1065862010 /nfs/dbraw/zinc/86/20/10/1065862010.db2.gz OEZVIQWMJHDVAS-ZYSHUDEJSA-N 0 0 496.033 2.754 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)N1CCOCC1 ZINC001293218963 1065864381 /nfs/dbraw/zinc/86/43/81/1065864381.db2.gz SQJHTKVDFICQBD-RXVVDRJESA-N 0 0 454.619 2.678 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(CCOC)CCC1 ZINC001293219455 1065866151 /nfs/dbraw/zinc/86/61/51/1065866151.db2.gz QDNVREAYSOAAKX-IBGZPJMESA-N 0 0 489.020 2.783 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC[S@@](=O)C(C)(C)C ZINC001293219779 1065867681 /nfs/dbraw/zinc/86/76/81/1065867681.db2.gz SCWSVBYZTKVVJP-BRVXLGJJSA-N 0 0 465.595 2.819 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)c1nc(C)cs1 ZINC001293220908 1065873242 /nfs/dbraw/zinc/87/32/42/1065873242.db2.gz URRCRGKGUNNUKQ-KSSFIOAISA-N 0 0 488.639 2.632 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC(F)(F)CO1 ZINC001293221045 1065873604 /nfs/dbraw/zinc/87/36/04/1065873604.db2.gz XHBXASNSTBKQOM-KBRIMQKVSA-N 0 0 453.465 2.696 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCOCC1CC1 ZINC001293221211 1065874574 /nfs/dbraw/zinc/87/45/74/1065874574.db2.gz WPYIWQWBHSWEKY-HXUWFJFHSA-N 0 0 454.575 2.679 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(F)ccc2Br)n1CCn1cc(C)cn1 ZINC001293221155 1065874633 /nfs/dbraw/zinc/87/46/33/1065874633.db2.gz XZKVKFHUSDKVGG-QGZVFWFLSA-N 0 0 476.354 2.767 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1nnc(C)s1 ZINC001293221384 1065875457 /nfs/dbraw/zinc/87/54/57/1065875457.db2.gz YUQHKRDQLYGDLK-CZUORRHYSA-N 0 0 459.551 2.675 20 0 JFADRN Cc1ccc([C@@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)c2ccc(F)cc2Cl)cc1 ZINC001293224130 1065877664 /nfs/dbraw/zinc/87/76/64/1065877664.db2.gz XNLIKHXHLBJWMT-HXUWFJFHSA-N 0 0 450.923 2.705 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCc1n[nH]c(C)n1 ZINC001293226537 1065878821 /nfs/dbraw/zinc/87/88/21/1065878821.db2.gz AUWKIYLHOHZAOM-FQEVSTJZSA-N 0 0 466.590 2.754 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC(F)(F)Br ZINC001293226838 1065879262 /nfs/dbraw/zinc/87/92/62/1065879262.db2.gz DBZUKIVXPONCLK-GFCCVEGCSA-N 0 0 474.306 2.665 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CCOC(C)C ZINC001293226775 1065879342 /nfs/dbraw/zinc/87/93/42/1065879342.db2.gz CSICWVPVWGFIME-MRXNPFEDSA-N 0 0 466.380 2.856 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc(-c2ccccc2Cl)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001293227101 1065879818 /nfs/dbraw/zinc/87/98/18/1065879818.db2.gz FAUYXOOBMHJZFP-ROUUACIJSA-N 0 0 482.963 2.669 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccccc2Cl)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001293227093 1065879833 /nfs/dbraw/zinc/87/98/33/1065879833.db2.gz FAUYXOOBMHJZFP-MSOLQXFVSA-N 0 0 482.963 2.669 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccccc2Br)n1Cc1ccc(OC)nc1 ZINC001293227589 1065880739 /nfs/dbraw/zinc/88/07/39/1065880739.db2.gz IIRJHIFVXSWRIN-QGZVFWFLSA-N 0 0 471.359 2.874 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCCCO2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001293229131 1065884497 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CCC[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)OC ZINC001293970924 1066472453 /nfs/dbraw/zinc/47/24/53/1066472453.db2.gz HBBFRADQOMYTFU-ZWKOTPCHSA-N 0 0 467.574 2.714 20 0 JFADRN CCC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)OCC)C1)OC ZINC001293971278 1066472993 /nfs/dbraw/zinc/47/29/93/1066472993.db2.gz JTPPQNUTKLUHTP-HOTGVXAUSA-N 0 0 462.551 2.536 20 0 JFADRN CCC[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC(=O)N1CCOCC1)OC ZINC001293971145 1066473002 /nfs/dbraw/zinc/47/30/02/1066473002.db2.gz INTNZKZWOVKPQT-LJQANCHMSA-N 0 0 468.558 2.710 20 0 JFADRN CCC[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)OC ZINC001293971446 1066473611 /nfs/dbraw/zinc/47/36/11/1066473611.db2.gz KWANLSQMIUXQDS-RBUKOAKNSA-N 0 0 495.628 2.700 20 0 JFADRN CCC[C@@H](Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCC[C@@H](CC(N)=O)C1)OC ZINC001293971339 1066473646 /nfs/dbraw/zinc/47/36/46/1066473646.db2.gz KFLNLRSZKXNLSO-ROUUACIJSA-N 0 0 481.601 2.582 20 0 JFADRN Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)cc1 ZINC001293975139 1066477005 /nfs/dbraw/zinc/47/70/05/1066477005.db2.gz KZQXFQMOXNTUDL-SFHVURJKSA-N 0 0 453.436 2.742 20 0 JFADRN C[C@@H](Oc1cccc(CO)c1)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC001293976075 1066477486 /nfs/dbraw/zinc/47/74/86/1066477486.db2.gz QIIDFNWBFBSRGB-MRXNPFEDSA-N 0 0 452.598 2.541 20 0 JFADRN CCC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C)c2C)CC1)OC ZINC001293976991 1066478446 /nfs/dbraw/zinc/47/84/46/1066478446.db2.gz NXCJIAXXRJNDNT-RTWAWAEBSA-N 0 0 475.659 2.939 20 0 JFADRN CCC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Br)o1)OC ZINC001293977410 1066479254 /nfs/dbraw/zinc/47/92/54/1066479254.db2.gz PFLMKRKOKJYOQQ-UONOGXRCSA-N 0 0 475.409 2.987 20 0 JFADRN CCC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1)OC ZINC001293978469 1066480443 /nfs/dbraw/zinc/48/04/43/1066480443.db2.gz SNLNSEWGRAREFB-PZJWPPBQSA-N 0 0 490.626 2.800 20 0 JFADRN CCC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1)OC ZINC001293978652 1066480487 /nfs/dbraw/zinc/48/04/87/1066480487.db2.gz DJOBZWNBOWGWBF-QGZVFWFLSA-N 0 0 499.566 2.783 20 0 JFADRN CCC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)OC ZINC001293980066 1066481979 /nfs/dbraw/zinc/48/19/79/1066481979.db2.gz KWVGTGLPOUEFLZ-QGZVFWFLSA-N 0 0 473.528 2.549 20 0 JFADRN CCC[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCOC1)OC ZINC001293980372 1066482657 /nfs/dbraw/zinc/48/26/57/1066482657.db2.gz QYKUZISTMZYJJZ-IPMKNSEASA-N 0 0 467.611 2.874 20 0 JFADRN CCC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1cccs1)OC ZINC001293980385 1066482847 /nfs/dbraw/zinc/48/28/47/1066482847.db2.gz RBDSXBYYWMWKFK-QWFCFKBJSA-N 0 0 497.687 2.699 20 0 JFADRN CCC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(C)o1)OC ZINC001293980442 1066482870 /nfs/dbraw/zinc/48/28/70/1066482870.db2.gz RWBCATSJGLFXSV-HBFSDRIKSA-N 0 0 481.619 2.669 20 0 JFADRN CCC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCCC1)OC ZINC001293980495 1066483549 /nfs/dbraw/zinc/48/35/49/1066483549.db2.gz SSXODPLABJUGPI-RBUKOAKNSA-N 0 0 457.641 2.585 20 0 JFADRN CCC[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1)OC ZINC001293980851 1066484510 /nfs/dbraw/zinc/48/45/10/1066484510.db2.gz AMCFPPHWEPFKSR-LJQANCHMSA-N 0 0 481.576 2.644 20 0 JFADRN CCC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1)OC ZINC001293981179 1066484551 /nfs/dbraw/zinc/48/45/51/1066484551.db2.gz FBWBHFGCEOACRX-JOCHJYFZSA-N 0 0 498.653 2.980 20 0 JFADRN CCC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)OC ZINC001293982024 1066486069 /nfs/dbraw/zinc/48/60/69/1066486069.db2.gz BEZRNBLDKKMOBS-REWPJTCUSA-N 0 0 462.616 2.996 20 0 JFADRN CCC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1)OC ZINC001293982441 1066487176 /nfs/dbraw/zinc/48/71/76/1066487176.db2.gz MNVXEMUZOHGATL-NHCUHLMSSA-N 0 0 455.607 2.661 20 0 JFADRN CCC[C@H](Cn1c(Cc2ccccc2F)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)OC ZINC001293983058 1066488413 /nfs/dbraw/zinc/48/84/13/1066488413.db2.gz QMYJOLUUYVKGTO-GCJKJVERSA-N 0 0 450.580 2.838 20 0 JFADRN CCC[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)OC ZINC001293984081 1066489307 /nfs/dbraw/zinc/48/93/07/1066489307.db2.gz KURDUAPSDAPGST-NRFANRHFSA-N 0 0 488.658 2.956 20 0 JFADRN CCC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1)OC ZINC001293984511 1066489322 /nfs/dbraw/zinc/48/93/22/1066489322.db2.gz LROPXTPPRCGFEQ-NRFANRHFSA-N 0 0 467.622 2.688 20 0 JFADRN CCC[C@@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)OC ZINC001293984587 1066490044 /nfs/dbraw/zinc/49/00/44/1066490044.db2.gz MNUVJQXAHSIKEM-AZUAARDMSA-N 0 0 450.605 2.912 20 0 JFADRN CCC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)OC ZINC001293987969 1066492645 /nfs/dbraw/zinc/49/26/45/1066492645.db2.gz XDOBNDQDYBTGDL-VXKWHMMOSA-N 0 0 471.602 2.808 20 0 JFADRN 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/nfs/dbraw/zinc/25/97/58/1061259758.db2.gz IYUMZPJKFLWFBM-BQFCYCMXSA-N 0 0 489.564 2.904 20 0 JFADRN Cc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c(C)c1 ZINC001289621269 1061260321 /nfs/dbraw/zinc/26/03/21/1061260321.db2.gz IYUMZPJKFLWFBM-SOLBZPMBSA-N 0 0 489.564 2.904 20 0 JFADRN CC(=O)N1CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC2(F)CCC2)CC1 ZINC001286869211 1061260891 /nfs/dbraw/zinc/26/08/91/1061260891.db2.gz SHRQOEFYKPBUGY-LJQANCHMSA-N 0 0 494.612 2.927 20 0 JFADRN Cc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](c3ccnn3C)C2)cc1 ZINC001289622440 1061261737 /nfs/dbraw/zinc/26/17/37/1061261737.db2.gz IMSYACIBFCVJAR-ICSRJNTNSA-N 0 0 471.631 2.557 20 0 JFADRN Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC001289623037 1061262522 /nfs/dbraw/zinc/26/25/22/1061262522.db2.gz ZSAGLGOFRQASCN-FCHUYYIVSA-N 0 0 461.632 2.828 20 0 JFADRN Cc1ccc(CCn2c(C(=O)NC(C)C)nnc2N(C)Cc2ncnn2CC(F)F)c(C)c1 ZINC001289623053 1061262588 /nfs/dbraw/zinc/26/25/88/1061262588.db2.gz ZWQDAUJUVQNRMY-UHFFFAOYSA-N 0 0 460.533 2.769 20 0 JFADRN Cc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C)[C@@H](C)C2)c(C)c1 ZINC001289625777 1061262825 /nfs/dbraw/zinc/26/28/25/1061262825.db2.gz CSHUKXQEGFSZAN-CBQOVEMMSA-N 0 0 475.659 2.953 20 0 JFADRN Cc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H]2CC=CCC2)cc1 ZINC001289625734 1061262845 /nfs/dbraw/zinc/26/28/45/1061262845.db2.gz BLLFGUOEEXTKRH-YADHBBJMSA-N 0 0 473.643 2.955 20 0 JFADRN Cc1occc1CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1 ZINC001289625856 1061262927 /nfs/dbraw/zinc/26/29/27/1061262927.db2.gz FQPJJIWHHXNESQ-NRFANRHFSA-N 0 0 473.599 2.700 20 0 JFADRN CC(=O)N1CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC2(C)C)CC1 ZINC001286869703 1061263180 /nfs/dbraw/zinc/26/31/80/1061263180.db2.gz ZHHKBRFJCCZKBQ-RTBURBONSA-N 0 0 476.622 2.691 20 0 JFADRN Cc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)c2ccco2)cc1 ZINC001289627946 1061264179 /nfs/dbraw/zinc/26/41/79/1061264179.db2.gz VUEXCSURCZWYFF-WIYYLYMNSA-N 0 0 473.599 2.953 20 0 JFADRN O=C(NCc1ccccc1SC(F)(F)F)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC001289627821 1061264280 /nfs/dbraw/zinc/26/42/80/1061264280.db2.gz NZGJMIUOPCYFAO-UHFFFAOYSA-N 0 0 450.460 2.842 20 0 JFADRN Cc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)c2ccco2)cc1 ZINC001289627939 1061264343 /nfs/dbraw/zinc/26/43/43/1061264343.db2.gz VUEXCSURCZWYFF-NQIIRXRSSA-N 0 0 473.599 2.953 20 0 JFADRN Cc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)c2ccco2)cc1 ZINC001289627943 1061264364 /nfs/dbraw/zinc/26/43/64/1061264364.db2.gz VUEXCSURCZWYFF-RXVVDRJESA-N 0 0 473.599 2.953 20 0 JFADRN Cc1ccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](C)(C(N)=O)C2)c(C)c1 ZINC001289629252 1061264714 /nfs/dbraw/zinc/26/47/14/1061264714.db2.gz KWNQAGNUOYKQOY-DEOSSOPVSA-N 0 0 466.611 2.831 20 0 JFADRN Cc1ccc(CCn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)c(C)c1 ZINC001289630561 1061264992 /nfs/dbraw/zinc/26/49/92/1061264992.db2.gz VGQJEYALGBSCBQ-UHFFFAOYSA-N 0 0 481.645 2.890 20 0 JFADRN CC(C)[C@@H](C(=O)N1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O)n1nnc(-c2ccccc2)n1 ZINC001289631433 1061265834 /nfs/dbraw/zinc/26/58/34/1061265834.db2.gz BCHSRBZJBPFUGC-JTDSTZFVSA-N 0 0 471.505 2.505 20 0 JFADRN CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN2CCOC[C@@H]2C)[C@H](C)C1 ZINC001286870315 1061266159 /nfs/dbraw/zinc/26/61/59/1061266159.db2.gz AIWXHDNQTSHCDT-URVUXULASA-N 0 0 484.645 2.813 20 0 JFADRN CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC001286870508 1061266437 /nfs/dbraw/zinc/26/64/37/1061266437.db2.gz IWOQWLLZNBAYJP-HNNXBMFYSA-N 0 0 462.957 2.606 20 0 JFADRN O=C(c1cccn2ncc(Br)c12)N1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC001289632101 1061266737 /nfs/dbraw/zinc/26/67/37/1061266737.db2.gz YTFOBXSEQTZABJ-IUODEOHRSA-N 0 0 466.279 2.679 20 0 JFADRN CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(=O)NCC(F)(F)F)[C@H](C)C1 ZINC001286870630 1061267188 /nfs/dbraw/zinc/26/71/88/1061267188.db2.gz CYJFKPZHMBLUTP-WBVHZDCISA-N 0 0 496.534 2.770 20 0 JFADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCCNS(C)(=O)=O)s1 ZINC001289634655 1061268568 /nfs/dbraw/zinc/26/85/68/1061268568.db2.gz DRUNHKBJZJJPOM-UHFFFAOYSA-N 0 0 487.449 2.981 20 0 JFADRN Cc1ccc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC(=O)N(C)C)o1 ZINC001289635904 1061269347 /nfs/dbraw/zinc/26/93/47/1061269347.db2.gz ULEOQMMERCLLFS-UHFFFAOYSA-N 0 0 459.572 2.755 20 0 JFADRN Cc1ccc(CN(C)c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(C)COC2)o1 ZINC001289635593 1061269485 /nfs/dbraw/zinc/26/94/85/1061269485.db2.gz PQSIJSABLXTZGG-UHFFFAOYSA-N 0 0 459.572 2.770 20 0 JFADRN CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2(O)CCOCC2)[C@@H](C)C1 ZINC001286870939 1061269740 /nfs/dbraw/zinc/26/97/40/1061269740.db2.gz FOLXUCQOGCXRRT-IRXDYDNUSA-N 0 0 477.993 2.670 20 0 JFADRN Cn1nc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)cc1C(F)(F)F ZINC001289639350 1061271128 /nfs/dbraw/zinc/27/11/28/1061271128.db2.gz KOETVMHVBFTYHR-NRFANRHFSA-N 0 0 459.428 2.676 20 0 JFADRN CCOC(=O)c1cccc2[nH]c(NC(=O)[C@@H](CSC)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)nc21 ZINC001289639346 1061271383 /nfs/dbraw/zinc/27/13/83/1061271383.db2.gz KNOICDTYILODLK-DVOMOZLQSA-N 0 0 458.540 2.585 20 0 JFADRN Cc1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2CCc2ccc(S(C)(=O)=O)cc2)o1 ZINC001289640731 1061271791 /nfs/dbraw/zinc/27/17/91/1061271791.db2.gz FPUFNGDDWJFRSA-UHFFFAOYSA-N 0 0 454.556 2.863 20 0 JFADRN Cc1ccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCCO2)s1 ZINC001289644996 1061272470 /nfs/dbraw/zinc/27/24/70/1061272470.db2.gz UTVYNOOWMWYASM-MSOLQXFVSA-N 0 0 468.645 2.772 20 0 JFADRN Cc1ccc(CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCO[C@H]2C(C)C)s1 ZINC001289647969 1061274056 /nfs/dbraw/zinc/27/40/56/1061274056.db2.gz XULTUHPTQULOAT-IHPCNDPISA-N 0 0 497.687 2.678 20 0 JFADRN Cc1ccc(CN(C)c2nnc(CC(C)(C)C)n2CCNS(=O)(=O)Cc2ccon2)s1 ZINC001289648062 1061274194 /nfs/dbraw/zinc/27/41/94/1061274194.db2.gz ZKTFMEIYUFQSJY-UHFFFAOYSA-N 0 0 466.633 2.981 20 0 JFADRN Cc1ccc(CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cscc2C)o1 ZINC001289647999 1061274232 /nfs/dbraw/zinc/27/42/32/1061274232.db2.gz YNWKQIKAWCKMRR-SFHVURJKSA-N 0 0 465.601 2.567 20 0 JFADRN CC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ncccc2N(C)C)CC1 ZINC001286871521 1061274282 /nfs/dbraw/zinc/27/42/82/1061274282.db2.gz JLGACGDCKLNABE-QGZVFWFLSA-N 0 0 467.549 2.735 20 0 JFADRN CC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCc2cnn(C)c2)[C@H](C)C1 ZINC001286871892 1061276129 /nfs/dbraw/zinc/27/61/29/1061276129.db2.gz MDPPLGTTWVZFSM-QZTJIDSGSA-N 0 0 469.565 2.981 20 0 JFADRN Cc1ccc(CN(C)c2nnc(COc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)o1 ZINC001289654058 1061276477 /nfs/dbraw/zinc/27/64/77/1061276477.db2.gz MKNFEZWDEOVBQE-KRWDZBQOSA-N 0 0 456.478 2.522 20 0 JFADRN Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)cn1 ZINC001289658096 1061279901 /nfs/dbraw/zinc/27/99/01/1061279901.db2.gz RQPNQBQPUQHLJV-UHFFFAOYSA-N 0 0 492.481 2.700 20 0 JFADRN Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)c(C)c1 ZINC001289657815 1061279947 /nfs/dbraw/zinc/27/99/47/1061279947.db2.gz ORLUFRPLVLJKNL-FQEVSTJZSA-N 0 0 482.610 2.994 20 0 JFADRN Cc1ccc(Cn2c(C(C)C)nnc2N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c(C)c1 ZINC001289658080 1061279970 /nfs/dbraw/zinc/27/99/70/1061279970.db2.gz QYALHINQEMTXOP-NRFANRHFSA-N 0 0 461.632 2.697 20 0 JFADRN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCCC[C@H]([C@H]4CCOC4)C3)cc2)C[C@@H](C)O1 ZINC001289660971 1061280311 /nfs/dbraw/zinc/28/03/11/1061280311.db2.gz URLBTTKNWKOEGY-QCFAMHMHSA-N 0 0 450.601 2.763 20 0 JFADRN Cc1cccc(C2=CCN(C(=O)Cn3cnc4c(c(Br)nn4C)c3=O)CC2)c1C ZINC001289660015 1061280446 /nfs/dbraw/zinc/28/04/46/1061280446.db2.gz QZTCOCWQOGAMNY-UHFFFAOYSA-N 0 0 456.344 2.825 20 0 JFADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(CC(C)C)C(C)C)c(N2CCOCC2)c1 ZINC001289661116 1061281402 /nfs/dbraw/zinc/28/14/02/1061281402.db2.gz CHDNKJQLUVUMNO-FQEVSTJZSA-N 0 0 492.690 2.952 20 0 JFADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](OCC3CC3)C2)c(C)c1 ZINC001289661910 1061281777 /nfs/dbraw/zinc/28/17/77/1061281777.db2.gz IIBQIJUUVFYGSO-GHTZIAJQSA-N 0 0 461.632 2.949 20 0 JFADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)cc1 ZINC001289663262 1061284889 /nfs/dbraw/zinc/28/48/89/1061284889.db2.gz TZTQKCBLSYWVHM-FOIQADDNSA-N 0 0 489.564 2.775 20 0 JFADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C3CCOCC3)C2)s1 ZINC001289663479 1061285635 /nfs/dbraw/zinc/28/56/35/1061285635.db2.gz WAPODJKPSQFMTN-WBVHZDCISA-N 0 0 453.634 2.559 20 0 JFADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](Cc3ccc(F)cc3)C2)cn1 ZINC001289663858 1061286613 /nfs/dbraw/zinc/28/66/13/1061286613.db2.gz ZOTBKWJOIWJMAT-MJGOQNOKSA-N 0 0 472.590 2.848 20 0 JFADRN Cc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCN(C)C(=O)[C@H]2C)c(=O)n1C ZINC001289663656 1061286627 /nfs/dbraw/zinc/28/66/27/1061286627.db2.gz XSPAOHHJCJFNPQ-SJORKVTESA-N 0 0 484.988 2.794 20 0 JFADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](Cc3ccc(F)cc3)C2)cn1 ZINC001289663856 1061286679 /nfs/dbraw/zinc/28/66/79/1061286679.db2.gz ZOTBKWJOIWJMAT-HKUYNNGSSA-N 0 0 472.590 2.848 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccccc3Br)n2C[C@@](C)(O)C2CC2)[C@@H](C)C1 ZINC001286873563 1061287240 /nfs/dbraw/zinc/28/72/40/1061287240.db2.gz BFZNSNGDSLMTAG-LHSJRXKWSA-N 0 0 462.392 2.926 20 0 JFADRN Cc1ccc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)CC2CCCC2)c(=O)n1C ZINC001289665722 1061287901 /nfs/dbraw/zinc/28/79/01/1061287901.db2.gz PZYBWUNXXUMHSX-UHFFFAOYSA-N 0 0 498.653 2.877 20 0 JFADRN Cc1ccc(Cn2c(-c3ccc(Br)cc3)nnc2N2CCOC[C@H]2C)c(=O)n1C ZINC001289666054 1061288185 /nfs/dbraw/zinc/28/81/85/1061288185.db2.gz YWKGIKADVBPNKA-OAHLLOKOSA-N 0 0 458.360 2.988 20 0 JFADRN Cc1ccc(Cn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)CCNC(=O)C(C)C)c(=O)n1C ZINC001289665780 1061288275 /nfs/dbraw/zinc/28/82/75/1061288275.db2.gz RXSGBNJGSIGHMK-UHFFFAOYSA-N 0 0 488.596 2.599 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)C(C)(C)C)CC12CCCCC2 ZINC001286874173 1061288891 /nfs/dbraw/zinc/28/88/91/1061288891.db2.gz MSIKNHQHMMZZEC-UHFFFAOYSA-N 0 0 488.658 2.925 20 0 JFADRN Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cn1 ZINC001289668752 1061289156 /nfs/dbraw/zinc/28/91/56/1061289156.db2.gz INJITDLPSXNRNN-SFHVURJKSA-N 0 0 490.033 2.853 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccccc3Br)n2CC[C@H]2COCCO2)[C@@H](C)C1 ZINC001286874470 1061289344 /nfs/dbraw/zinc/28/93/44/1061289344.db2.gz PZKSYVGLJBIDCW-RDJZCZTQSA-N 0 0 478.391 2.570 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001286874605 1061289571 /nfs/dbraw/zinc/28/95/71/1061289571.db2.gz SGTJUAIKWVAXKY-MJGOQNOKSA-N 0 0 469.590 2.797 20 0 JFADRN Cc1ccc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCS(C)(=O)=O)c(=O)n1C ZINC001289669051 1061289572 /nfs/dbraw/zinc/28/95/72/1061289572.db2.gz RXPPMKVFDCPEIW-UHFFFAOYSA-N 0 0 484.409 2.788 20 0 JFADRN Cc1ccc(Cn2c(-c3ccccn3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c(=O)n1C ZINC001289669474 1061290108 /nfs/dbraw/zinc/29/01/08/1061290108.db2.gz GKQXFWNDDGQTMB-OXJNMPFZSA-N 0 0 479.585 2.745 20 0 JFADRN Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)cn1 ZINC001289671489 1061290883 /nfs/dbraw/zinc/29/08/83/1061290883.db2.gz KDOVAHMDQUVZNS-UHFFFAOYSA-N 0 0 459.476 2.987 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccccc3Br)n2CC2([S@](C)=O)CC2)[C@H](C)C1 ZINC001286874899 1061291005 /nfs/dbraw/zinc/29/10/05/1061291005.db2.gz VHDGLCDMFBDXPD-ONSXPEOJSA-N 0 0 480.432 2.676 20 0 JFADRN Cc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)CC(=O)NC(C)C)c(N2CCOCC2)c1 ZINC001289673998 1061291675 /nfs/dbraw/zinc/29/16/75/1061291675.db2.gz BLNDCMKWVZTXEK-UHFFFAOYSA-N 0 0 477.613 2.803 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccccc3F)n2CCC(=O)N(C)C)CC12CCCCC2 ZINC001286875316 1061291874 /nfs/dbraw/zinc/29/18/74/1061291874.db2.gz WESFYEWGHKNHHL-UHFFFAOYSA-N 0 0 456.566 2.934 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCn2ccnn2)[C@@H](C)C1 ZINC001286875599 1061292117 /nfs/dbraw/zinc/29/21/17/1061292117.db2.gz DOFDWZXPNDZXCI-SFHVURJKSA-N 0 0 450.591 2.981 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC2(O)CCC2)CC1 ZINC001286875617 1061292182 /nfs/dbraw/zinc/29/21/82/1061292182.db2.gz DYDDPWCQWPZMFN-UHFFFAOYSA-N 0 0 468.783 2.945 20 0 JFADRN Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C)[C@@H](O)C2)c(OCC(F)(F)F)c1 ZINC001289676249 1061292755 /nfs/dbraw/zinc/29/27/55/1061292755.db2.gz CRKZSQALYYKWHY-PVAVHDDUSA-N 0 0 467.492 2.734 20 0 JFADRN Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001289676314 1061292892 /nfs/dbraw/zinc/29/28/92/1061292892.db2.gz FCWGAZQUCVDBKU-COXVUDFISA-N 0 0 460.604 2.997 20 0 JFADRN Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(Br)c2)c(=O)n1C ZINC001289677207 1061293872 /nfs/dbraw/zinc/29/38/72/1061293872.db2.gz PQOCENCSGPSYRV-GOSISDBHSA-N 0 0 485.386 2.684 20 0 JFADRN Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(Br)c2)c(=O)n1C ZINC001289677208 1061293948 /nfs/dbraw/zinc/29/39/48/1061293948.db2.gz PQOCENCSGPSYRV-SFHVURJKSA-N 0 0 485.386 2.684 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccc(Br)s3)n2CCCN2CCOCC2)[C@H](C)C1 ZINC001286876764 1061294445 /nfs/dbraw/zinc/29/44/45/1061294445.db2.gz MXYCILDMNFYAGB-OAHLLOKOSA-N 0 0 497.463 2.548 20 0 JFADRN Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)c(C)c1 ZINC001289679761 1061294766 /nfs/dbraw/zinc/29/47/66/1061294766.db2.gz BMUKKAOBVVHYEU-HXUWFJFHSA-N 0 0 473.643 2.540 20 0 JFADRN Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(F)c(Cl)c2)c(=O)n1C ZINC001289680844 1061295536 /nfs/dbraw/zinc/29/55/36/1061295536.db2.gz MMPNKTWOEHUYJC-QGZVFWFLSA-N 0 0 493.992 2.665 20 0 JFADRN Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCCCCC2)s1 ZINC001289680910 1061295924 /nfs/dbraw/zinc/29/59/24/1061295924.db2.gz OAPAFRDIRFVYQL-SFHVURJKSA-N 0 0 453.634 2.800 20 0 JFADRN Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@H](C(F)F)C2)c(F)c1 ZINC001289681026 1061296430 /nfs/dbraw/zinc/29/64/30/1061296430.db2.gz ODLOJMYURAUIEM-WMZOPIPTSA-N 0 0 487.548 2.588 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001286878197 1061297124 /nfs/dbraw/zinc/29/71/24/1061297124.db2.gz VFNASMIYMHGDJN-XLIONFOSSA-N 0 0 471.606 2.598 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(C)COCCO2)[C@@H](C)C1 ZINC001286878316 1061297604 /nfs/dbraw/zinc/29/76/04/1061297604.db2.gz YLFIECYCYRJAGU-YCRPNKLZSA-N 0 0 478.391 2.570 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CCC2CCN(CC(F)(F)F)CC2)CC1 ZINC001286878440 1061297996 /nfs/dbraw/zinc/29/79/96/1061297996.db2.gz WLXHELKQRIDWGX-UHFFFAOYSA-N 0 0 467.540 2.617 20 0 JFADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 ZINC001289682960 1061298310 /nfs/dbraw/zinc/29/83/10/1061298310.db2.gz BWFCAQFHIDHROQ-NRFANRHFSA-N 0 0 475.659 2.854 20 0 JFADRN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(C3=NCC(C)(C)S3)CC2)c(=O)n1C ZINC001289684669 1061298867 /nfs/dbraw/zinc/29/88/67/1061298867.db2.gz QYEHJFCPJKLIRP-UHFFFAOYSA-N 0 0 471.675 2.926 20 0 JFADRN Cc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC(CNS(C)(=O)=O)CC2)s1 ZINC001289687068 1061299213 /nfs/dbraw/zinc/29/92/13/1061299213.db2.gz BGEKWVVLGGYLKX-UHFFFAOYSA-N 0 0 480.685 2.818 20 0 JFADRN Cc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)CC(=O)NC(C)C)c(O[C@@H]2CCOC2)c1 ZINC001289687187 1061299366 /nfs/dbraw/zinc/29/93/66/1061299366.db2.gz FSTIATUOQALKSY-JOCHJYFZSA-N 0 0 478.597 2.749 20 0 JFADRN CC(=O)N1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)C(C)C)CC1 ZINC001286879581 1061300808 /nfs/dbraw/zinc/30/08/08/1061300808.db2.gz ICOJNSAYVOQQRN-LJQANCHMSA-N 0 0 478.638 2.937 20 0 JFADRN CC(=O)N1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)CCCC2)CC1 ZINC001286879548 1061300890 /nfs/dbraw/zinc/30/08/90/1061300890.db2.gz HJMSJYZSCBKFEV-LJQANCHMSA-N 0 0 476.622 2.835 20 0 JFADRN Cc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)s1 ZINC001289689899 1061301256 /nfs/dbraw/zinc/30/12/56/1061301256.db2.gz IJEKASDSBHTNLA-UHFFFAOYSA-N 0 0 472.640 2.522 20 0 JFADRN Cc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C(F)(F)F)C2)c(=O)n1C ZINC001289691650 1061302071 /nfs/dbraw/zinc/30/20/71/1061302071.db2.gz ZKGDDQFSEVKKIM-INIZCTEOSA-N 0 0 453.490 2.753 20 0 JFADRN CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC001286880202 1061302722 /nfs/dbraw/zinc/30/27/22/1061302722.db2.gz OGVMIOUXOAWFNE-SFHVURJKSA-N 0 0 467.492 2.830 20 0 JFADRN Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)s1 ZINC001289693688 1061304108 /nfs/dbraw/zinc/30/41/08/1061304108.db2.gz NKFVSAPAOFRADV-KRWDZBQOSA-N 0 0 458.632 2.950 20 0 JFADRN Cc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C(C)C)C2)c(=O)n1C ZINC001289694085 1061305656 /nfs/dbraw/zinc/30/56/56/1061305656.db2.gz DBBORHFGWCSAEB-NRFANRHFSA-N 0 0 455.534 2.913 20 0 JFADRN CC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccc(C)n(C)c2=O)CC12CCCCC2 ZINC001286881281 1061306185 /nfs/dbraw/zinc/30/61/85/1061306185.db2.gz AYDQIWHAJBVGHA-UHFFFAOYSA-N 0 0 454.619 2.903 20 0 JFADRN CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCCS2(=O)=O)CC12CCCCC2 ZINC001286881258 1061306239 /nfs/dbraw/zinc/30/62/39/1061306239.db2.gz AHQQPRRHTKZCRJ-HXUWFJFHSA-N 0 0 465.664 2.815 20 0 JFADRN CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCCCS2(=O)=O)CC12CCCCC2 ZINC001286881257 1061306274 /nfs/dbraw/zinc/30/62/74/1061306274.db2.gz AHQQPRRHTKZCRJ-FQEVSTJZSA-N 0 0 465.664 2.815 20 0 JFADRN CC(=O)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCC(=O)N(C)C)CC1 ZINC001286881662 1061306724 /nfs/dbraw/zinc/30/67/24/1061306724.db2.gz ALPFKCBLSIUAEM-UHFFFAOYSA-N 0 0 470.618 2.692 20 0 JFADRN Cc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N(C)C[C@H]2CCCOC2)c(=O)n1C ZINC001289694960 1061307667 /nfs/dbraw/zinc/30/76/67/1061307667.db2.gz PMXYOZIGHWZEKE-GOSISDBHSA-N 0 0 455.534 2.914 20 0 JFADRN C[C@@H](Cc1cccnc1)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC001289695249 1061308251 /nfs/dbraw/zinc/30/82/51/1061308251.db2.gz QVFUUPCVHFVEOM-AWEZNQCLSA-N 0 0 452.374 2.990 20 0 JFADRN CC(=O)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCS(C)(=O)=O)[C@H](C)C1 ZINC001286882140 1061308657 /nfs/dbraw/zinc/30/86/57/1061308657.db2.gz DVSGMJQDDORYMH-GOSISDBHSA-N 0 0 491.658 2.646 20 0 JFADRN CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2c(F)cccc2F)N(C)C)[C@H](C)C1 ZINC001286882114 1061308698 /nfs/dbraw/zinc/30/86/98/1061308698.db2.gz AGEMVJJJBZDGJW-VGOFRKELSA-N 0 0 483.567 2.902 20 0 JFADRN Cc1ccc(Cn2c(N(C)[C@H](C)CS(C)(=O)=O)nnc2[C@@]2(OC(C)C)CCOC2)c(F)c1 ZINC001289695417 1061308661 /nfs/dbraw/zinc/30/86/61/1061308661.db2.gz XIOXWPLIFMVMRS-VGOFRKELSA-N 0 0 468.595 2.684 20 0 JFADRN CC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC001286882041 1061308803 /nfs/dbraw/zinc/30/88/03/1061308803.db2.gz IOPACZRLWJKYBL-SFHVURJKSA-N 0 0 470.593 2.856 20 0 JFADRN Cc1ccc(Cn2c(N3CCN(CC(F)(F)F)CC3)nnc2[C@]2(OC(C)C)CCOC2)cn1 ZINC001289698293 1061308993 /nfs/dbraw/zinc/30/89/93/1061308993.db2.gz ITPCCQOLIKOQDV-NRFANRHFSA-N 0 0 468.524 2.755 20 0 JFADRN Cc1ccc(Cn2c(N3CCSC(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)c(=O)n1C ZINC001289698567 1061309612 /nfs/dbraw/zinc/30/96/12/1061309612.db2.gz NLPCCRXOXMGDIE-HSZRJFAPSA-N 0 0 461.632 2.706 20 0 JFADRN Cc1ccc(CSCCn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)CS(C)(=O)=O)cc1 ZINC001289700498 1061312360 /nfs/dbraw/zinc/31/23/60/1061312360.db2.gz HXNULONLIDDZCX-IEBWSBKVSA-N 0 0 452.646 2.893 20 0 JFADRN Cc1ccc(CSCCn2c([C@H]3CCCCO3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 ZINC001289700734 1061313510 /nfs/dbraw/zinc/31/35/10/1061313510.db2.gz JMFFRMBGPRXNSQ-HXUWFJFHSA-N 0 0 479.672 2.843 20 0 JFADRN Cc1ccc(CNC(=O)C2CCN(c3nnc(CC(C)(C)C)n3C[C@]3(O)CCOC3)CC2)cc1 ZINC001289701583 1061314412 /nfs/dbraw/zinc/31/44/12/1061314412.db2.gz UZIFJASRPKBOIX-AREMUKBSSA-N 0 0 469.630 2.859 20 0 JFADRN CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(C)n(C)c2=O)[C@H](C)C1 ZINC001286883739 1061315309 /nfs/dbraw/zinc/31/53/09/1061315309.db2.gz 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CC(=O)NC1CCC(N(C)c2nnc(CCOc3ccccc3)n2CCN2CCOC[C@H]2C)CC1 ZINC001286904147 1061408453 /nfs/dbraw/zinc/40/84/53/1061408453.db2.gz RMOFRBLOAKSVRL-RDABAPPSSA-N 0 0 484.645 2.504 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(CC(C)(C)C)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001286904468 1061410163 /nfs/dbraw/zinc/41/01/63/1061410163.db2.gz QXXVDPWBIGFNEW-UHFFFAOYSA-N 0 0 453.653 2.575 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(COc3cccc(C)c3)n2CC2([S@](C)=O)CC2)CC1 ZINC001286904582 1061410931 /nfs/dbraw/zinc/41/09/31/1061410931.db2.gz WEXHUPYWRQKNRE-SCBBBGDDSA-N 0 0 473.643 2.960 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001286904816 1061412128 /nfs/dbraw/zinc/41/21/28/1061412128.db2.gz SSPNIYDRYPUMGB-HSFDUWRESA-N 0 0 478.638 2.969 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CCN3CCOCC3)n2CCc2ccncc2)cc1C ZINC001289786630 1061412123 /nfs/dbraw/zinc/41/21/23/1061412123.db2.gz INAZEUBWQAKCBX-UHFFFAOYSA-N 0 0 450.587 2.880 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CCOC(C)(C)C)n2CC2(O)CCS(=O)(=O)CC2)cc1C ZINC001289786691 1061412144 /nfs/dbraw/zinc/41/21/44/1061412144.db2.gz JQOOJCYKDYZCTA-UHFFFAOYSA-N 0 0 494.658 2.665 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccc3c(n2)CCCC3)cc1 ZINC001289786262 1061412151 /nfs/dbraw/zinc/41/21/51/1061412151.db2.gz FIWGDTXPNBJJLZ-UHFFFAOYSA-N 0 0 469.611 2.968 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCCCC2)C1 ZINC001286904674 1061413432 /nfs/dbraw/zinc/41/34/32/1061413432.db2.gz IQVKTSMYMRPILL-OAQYLSRUSA-N 0 0 468.602 2.947 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CCN3CCOCC3)n2CCc2cccc(C)n2)cc1 ZINC001289787776 1061413548 /nfs/dbraw/zinc/41/35/48/1061413548.db2.gz PDYVVGADMZJXEQ-UHFFFAOYSA-N 0 0 450.587 2.880 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(CCc3ccccc3)n2C[C@@]2(C)COCCO2)CC1 ZINC001286904813 1061414241 /nfs/dbraw/zinc/41/42/41/1061414241.db2.gz ZWTVEEAVQXJQGX-OWWUNANSSA-N 0 0 455.603 2.752 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCNS(C)(=O)=O)CC1 ZINC001286905006 1061415291 /nfs/dbraw/zinc/41/52/91/1061415291.db2.gz YHQPZZJPVBJJBN-UHFFFAOYSA-N 0 0 490.674 2.675 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@]2(O)CCCC2(C)C)cc1 ZINC001289788823 1061415607 /nfs/dbraw/zinc/41/56/07/1061415607.db2.gz YDEOHDWRGFEAAI-QHCPKHFHSA-N 0 0 464.632 2.978 20 0 JFADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCCOC2CCOCC2)cc1C ZINC001289790568 1061415959 /nfs/dbraw/zinc/41/59/59/1061415959.db2.gz HIDOYQIRCVFELV-HXUWFJFHSA-N 0 0 471.602 2.727 20 0 JFADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@](C)(O)c2ccsc2)cc1 ZINC001289790622 1061416003 /nfs/dbraw/zinc/41/60/03/1061416003.db2.gz IOWMSXVNNRKTNZ-UZUQRXQVSA-N 0 0 455.584 2.802 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)CC1 ZINC001286905235 1061417401 /nfs/dbraw/zinc/41/74/01/1061417401.db2.gz YGJKYNOKFBBAQM-GTPINHCMSA-N 0 0 481.523 2.717 20 0 JFADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2Cc2ccc(C(N)=O)nc2)cc1 ZINC001289790985 1061417682 /nfs/dbraw/zinc/41/76/82/1061417682.db2.gz BQNXKZLABFFJJS-QGZVFWFLSA-N 0 0 450.543 2.711 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cc(F)cc(F)c2)C1 ZINC001286905403 1061418180 /nfs/dbraw/zinc/41/81/80/1061418180.db2.gz OYRTZTPJGBVMHX-LJQANCHMSA-N 0 0 469.496 2.551 20 0 JFADRN Cc1ccc(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC(=O)N2CCOCC2)cc1C ZINC001289791278 1061418286 /nfs/dbraw/zinc/41/82/86/1061418286.db2.gz MMKHPSJNNXFDHA-UHFFFAOYSA-N 0 0 471.602 2.727 20 0 JFADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCOc2ncccc2Cl)cc1 ZINC001289791276 1061418299 /nfs/dbraw/zinc/41/82/99/1061418299.db2.gz MJKGNYNEQOXERD-KRWDZBQOSA-N 0 0 470.961 2.960 20 0 JFADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2COCCO2)cc1 ZINC001289791689 1061420526 /nfs/dbraw/zinc/42/05/26/1061420526.db2.gz POVOGMBUYQMRSP-HMXCVIKNSA-N 0 0 487.601 2.930 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(COc3ccc(F)cc3)n2C[C@@]2(C)COCCO2)CC1 ZINC001286905800 1061421347 /nfs/dbraw/zinc/42/13/47/1061421347.db2.gz YWSXPRLUMYSCPH-IMQCZEGASA-N 0 0 475.565 2.685 20 0 JFADRN Cc1ccc(OCc2nnc(N3CC(=O)N[C@@H]4CCCC[C@H]43)n2CCCCCS(C)(=O)=O)cc1 ZINC001289791980 1061422434 /nfs/dbraw/zinc/42/24/34/1061422434.db2.gz QPRICDJZVIINTF-NHCUHLMSSA-N 0 0 489.642 2.628 20 0 JFADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC001289792090 1061423406 /nfs/dbraw/zinc/42/34/06/1061423406.db2.gz SIWUEQOMQGACKY-OALUTQOASA-N 0 0 486.617 2.993 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CCCn2ccnn2)C1 ZINC001286906409 1061426640 /nfs/dbraw/zinc/42/66/40/1061426640.db2.gz IHQBHWPDHXBASA-MRXNPFEDSA-N 0 0 491.369 2.633 20 0 JFADRN Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@@]4(CCO[C@H]4C)C3)n2CCOCCCO)cc1C ZINC001289793027 1061427571 /nfs/dbraw/zinc/42/75/71/1061427571.db2.gz RNEDYFBIIPHWKY-WATLYSKOSA-N 0 0 474.602 2.646 20 0 JFADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@]4(CCCOC4)C3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001289792821 1061427609 /nfs/dbraw/zinc/42/76/09/1061427609.db2.gz QQWHHCJFMLMROF-VGSWGCGISA-N 0 0 497.518 2.618 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)N(C)c2ccccc2)C1 ZINC001286906603 1061428653 /nfs/dbraw/zinc/42/86/53/1061428653.db2.gz FMJLRXNEVXHMJP-MZEQIWSPSA-N 0 0 484.645 2.949 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC(=O)NC(C)C)C1 ZINC001286906638 1061429830 /nfs/dbraw/zinc/42/98/30/1061429830.db2.gz FUGOXDCLKAAYFY-SJLPKXTDSA-N 0 0 460.554 2.577 20 0 JFADRN Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2cccnc2OCC(F)F)cc1 ZINC001289796709 1061430510 /nfs/dbraw/zinc/43/05/10/1061430510.db2.gz DDBOWTYKIWMNEB-MRXNPFEDSA-N 0 0 472.496 2.564 20 0 JFADRN Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CC(=O)N(C)C2CCCCC2)cc1C ZINC001289798118 1061431422 /nfs/dbraw/zinc/43/14/22/1061431422.db2.gz OCSTVRHHCFAARB-LJQANCHMSA-N 0 0 468.602 2.577 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCc2n[nH]c(C)n2)C1 ZINC001286906803 1061431897 /nfs/dbraw/zinc/43/18/97/1061431897.db2.gz GVUNMSSLCXGWFQ-KBXCAEBGSA-N 0 0 472.981 2.846 20 0 JFADRN Cc1ccc(OCc2nnc(N3CC[C@@H](c4cnn(C)c4)C3)n2CC(=O)NC(C)C)cc1C ZINC001289798858 1061432627 /nfs/dbraw/zinc/43/26/27/1061432627.db2.gz BLEJZWGCZCOUCD-LJQANCHMSA-N 0 0 451.575 2.726 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCC(C)CC3)n2CCNS(=O)(=O)Cc2ccon2)cc1C ZINC001289799172 1061433619 /nfs/dbraw/zinc/43/36/19/1061433619.db2.gz GNACPKFTIIOFOL-UHFFFAOYSA-N 0 0 488.614 2.818 20 0 JFADRN CCCCS(=O)(=O)N1CCC(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001289800289 1061434537 /nfs/dbraw/zinc/43/45/37/1061434537.db2.gz PJBIJSROTMFGGN-SFHVURJKSA-N 0 0 459.653 2.982 20 0 JFADRN CN(C)S(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001289800711 1061435730 /nfs/dbraw/zinc/43/57/30/1061435730.db2.gz SDQWDKQKQLCVSF-SFHVURJKSA-N 0 0 453.605 2.633 20 0 JFADRN Cc1ccc(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CC2(O)CCS(=O)(=O)CC2)cc1 ZINC001289802650 1061438917 /nfs/dbraw/zinc/43/89/17/1061438917.db2.gz MGEDVNKIFSEKDX-LJQANCHMSA-N 0 0 476.643 2.978 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@]2(C)CN(C)C2=O)C1 ZINC001286908025 1061439586 /nfs/dbraw/zinc/43/95/86/1061439586.db2.gz WYXRXAXOQZOHES-RLWLMLJZSA-N 0 0 482.629 2.953 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2CCC(=O)N2CCOCC2)cc1C ZINC001289804825 1061440814 /nfs/dbraw/zinc/44/08/14/1061440814.db2.gz CSTRTXZWDVPFTC-UHFFFAOYSA-N 0 0 463.529 2.958 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCc2nccc(C(F)(F)F)n2)cc1 ZINC001289804791 1061440847 /nfs/dbraw/zinc/44/08/47/1061440847.db2.gz ZPLVOSRBEIZNAM-UHFFFAOYSA-N 0 0 489.502 2.919 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)CC2CC2)C1 ZINC001286908290 1061443810 /nfs/dbraw/zinc/44/38/10/1061443810.db2.gz IKKQHXFWVSFOGB-QGZVFWFLSA-N 0 0 466.007 2.528 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2C[C@@H]2CCCS2)cc1 ZINC001289805594 1061443894 /nfs/dbraw/zinc/44/38/94/1061443894.db2.gz PIPIRGRMALEEER-FQEVSTJZSA-N 0 0 479.672 2.827 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2C[C@H]2CCCS(=O)(=O)C2)cc1C ZINC001289805712 1061443911 /nfs/dbraw/zinc/44/39/11/1061443911.db2.gz PUGRYZDTGQIWJE-HXUWFJFHSA-N 0 0 462.616 2.507 20 0 JFADRN Cc1ccc(OCc2nnc(N3CC[C@H](N4CCCC4=O)C3)n2CCS(=O)(=O)C(C)(C)C)cc1 ZINC001289805722 1061443950 /nfs/dbraw/zinc/44/39/50/1061443950.db2.gz QBYZNSIZJILIQZ-IBGZPJMESA-N 0 0 489.642 2.580 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCOC2)C1 ZINC001286908471 1061444492 /nfs/dbraw/zinc/44/44/92/1061444492.db2.gz PETISOWYKCBZIF-GOEBONIOSA-N 0 0 466.355 2.988 20 0 JFADRN CC(=O)N[C@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnn(CC(C)C)c2C)C1 ZINC001286908427 1061444534 /nfs/dbraw/zinc/44/45/34/1061444534.db2.gz OKVYFELMIUIPEV-WIOPSUGQSA-N 0 0 487.649 2.633 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnn(CC(C)C)c2C)C1 ZINC001286908425 1061444551 /nfs/dbraw/zinc/44/45/51/1061444551.db2.gz OKVYFELMIUIPEV-RCZVLFRGSA-N 0 0 487.649 2.633 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 ZINC001286908815 1061447156 /nfs/dbraw/zinc/44/71/56/1061447156.db2.gz DMRFSGZQYDJGTA-NHCUHLMSSA-N 0 0 469.590 2.766 20 0 JFADRN CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2nnc(C)s2)C1 ZINC001286908750 1061447188 /nfs/dbraw/zinc/44/71/88/1061447188.db2.gz QLDGKIZOZHFGEV-HNNXBMFYSA-N 0 0 463.514 2.860 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCO[C@@H](C)C2)C1 ZINC001286909103 1061449145 /nfs/dbraw/zinc/44/91/45/1061449145.db2.gz RMKIUIPUSPOXEI-QILLFSRXSA-N 0 0 479.423 2.966 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CC[C@@H]2COCCO2)cc1 ZINC001289808527 1061449642 /nfs/dbraw/zinc/44/96/42/1061449642.db2.gz HTYIMKJKVUTPDW-GOSISDBHSA-N 0 0 470.492 2.865 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCC(Nc4cccnn4)CC3)n2CCC(=O)N(C)C)cc1C ZINC001289808136 1061449739 /nfs/dbraw/zinc/44/97/39/1061449739.db2.gz GJNNGAXLJVMWOJ-UHFFFAOYSA-N 0 0 478.601 2.823 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc(-c3cc(F)ccc3Br)n2CCc2n[nH]c(C)n2)C1 ZINC001286909245 1061450164 /nfs/dbraw/zinc/45/01/64/1061450164.db2.gz 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COC(=O)C[C@@H]1CN(C(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)CCO1 ZINC001294111373 1061594655 /nfs/dbraw/zinc/59/46/55/1061594655.db2.gz LFSONHNZONACNT-LJQANCHMSA-N 0 0 459.543 2.960 20 0 JFADRN Cc1cccc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1 ZINC001289908179 1061596211 /nfs/dbraw/zinc/59/62/11/1061596211.db2.gz DKVBOLDTXKWXTO-SJLPKXTDSA-N 0 0 459.595 2.898 20 0 JFADRN CC(C)[C@H](CCN(C)C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)NC(=O)OC(C)(C)C ZINC001294115558 1061597215 /nfs/dbraw/zinc/59/72/15/1061597215.db2.gz WHQGFYNQMLNSLS-SAHWJRBASA-N 0 0 452.596 2.885 20 0 JFADRN Cc1nc(C)c(CCn2c(-c3cccc(C)n3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)s1 ZINC001289909256 1061598601 /nfs/dbraw/zinc/59/86/01/1061598601.db2.gz KLWISYPASALJII-UHFFFAOYSA-N 0 0 489.671 2.825 20 0 JFADRN CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)Cc2coc3cc(Cl)ccc23)C1=O ZINC001294117226 1061598943 /nfs/dbraw/zinc/59/89/43/1061598943.db2.gz IIUMRCSILNIKTP-UHFFFAOYSA-N 0 0 454.870 2.760 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC2CC2)CCO1 ZINC001286943229 1061599439 /nfs/dbraw/zinc/59/94/39/1061599439.db2.gz ZBCYHALIBCQJTM-OAHLLOKOSA-N 0 0 452.328 2.598 20 0 JFADRN Cc1cc(C)n(-c2ccc(Cn3c(-c4cccc(C)n4)nnc3N(C)[C@H](C)CC(N)=O)cn2)n1 ZINC001289909590 1061599649 /nfs/dbraw/zinc/59/96/49/1061599649.db2.gz REGBASRELGJRMU-QGZVFWFLSA-N 0 0 459.558 2.594 20 0 JFADRN Cc1cccc(-c2nnc(N(C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)n2C[C@H]2OCC[C@H]2C)n1 ZINC001289909663 1061601132 /nfs/dbraw/zinc/60/11/32/1061601132.db2.gz SQPIJLBCVJKRDM-LDBYXDLTSA-N 0 0 470.599 2.918 20 0 JFADRN CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001294121200 1061601285 /nfs/dbraw/zinc/60/12/85/1061601285.db2.gz RMOIFMLSBFKVTG-UHFFFAOYSA-N 0 0 464.636 2.737 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCCOc2ccc(C)cc2)CCO1 ZINC001286943455 1061601885 /nfs/dbraw/zinc/60/18/85/1061601885.db2.gz QKJMILJJCMBUQV-GGAORHGYSA-N 0 0 471.602 2.681 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCCCS2)CCO1 ZINC001286943569 1061604057 /nfs/dbraw/zinc/60/40/57/1061604057.db2.gz BXYVMHFPUOMQJQ-SFTDATJTSA-N 0 0 459.616 2.793 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3C)n2C[C@@H](C)NC(=O)OC(C)(C)C)CCO1 ZINC001286943640 1061605189 /nfs/dbraw/zinc/60/51/89/1061605189.db2.gz WBIMZUPFGPQVKO-IEBWSBKVSA-N 0 0 472.590 2.508 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2CC(=O)NCC(F)F)n1 ZINC001289913298 1061605926 /nfs/dbraw/zinc/60/59/26/1061605926.db2.gz RSUGONATDYLSLP-UHFFFAOYSA-N 0 0 471.512 2.722 20 0 JFADRN CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC001294124552 1061607767 /nfs/dbraw/zinc/60/77/67/1061607767.db2.gz IQDSKNZKZHDRSQ-SFHVURJKSA-N 0 0 456.547 2.625 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CC(F)(F)F)n2CCCN2C(=O)NC3(CCCC3)C2=O)n1 ZINC001289916082 1061608017 /nfs/dbraw/zinc/60/80/17/1061608017.db2.gz WZQZOBHZPFNHFJ-UHFFFAOYSA-N 0 0 465.480 2.902 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H](N2CCOCC2)C(F)(F)F)n1 ZINC001289916096 1061608049 /nfs/dbraw/zinc/60/80/49/1061608049.db2.gz XGYOYXWHRQBXQF-CQSZACIVSA-N 0 0 452.403 2.910 20 0 JFADRN CN(Cc1ccc([S@](C)=O)cc1)C(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001294125267 1061608689 /nfs/dbraw/zinc/60/86/89/1061608689.db2.gz BTGDEWWHSOKOHE-XZWHSSHBSA-N 0 0 456.630 2.531 20 0 JFADRN CC(=O)NCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001286944051 1061609281 /nfs/dbraw/zinc/60/92/81/1061609281.db2.gz BEDDUTAQZARMMY-OSPHWJPCSA-N 0 0 485.564 2.569 20 0 JFADRN C[C@@H](C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC001294126837 1061610107 /nfs/dbraw/zinc/61/01/07/1061610107.db2.gz JZMZSUGTCOLLRN-RYUDHWBXSA-N 0 0 451.317 2.624 20 0 JFADRN Cc1cccc(-c2nnc(N(C)Cc3ccc([S@@](C)=O)cc3)n2CC(=O)NCC2CC2)n1 ZINC001289917674 1061611316 /nfs/dbraw/zinc/61/13/16/1061611316.db2.gz ULFFZCIEZNOPBK-JGCGQSQUSA-N 0 0 452.584 2.549 20 0 JFADRN 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Cc1cccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2CCc2cnn(-c3ccccc3)c2)n1 ZINC001289930673 1061619910 /nfs/dbraw/zinc/61/99/10/1061619910.db2.gz BZNCHZOVUOECDL-UHFFFAOYSA-N 0 0 479.610 2.948 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OCC(F)(F)F)cc2)CCO1 ZINC001286945158 1061620411 /nfs/dbraw/zinc/62/04/11/1061620411.db2.gz VSIYYJYIEFUOLK-PMACEKPBSA-N 0 0 497.518 2.850 20 0 JFADRN CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 ZINC001294136535 1061620512 /nfs/dbraw/zinc/62/05/12/1061620512.db2.gz HNWXCCMLXKQOFN-FCHUYYIVSA-N 0 0 491.658 2.639 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(-c3cccc(C)n3)nnc2N(C)C[C@H]2CCCO2)s1 ZINC001289930881 1061620606 /nfs/dbraw/zinc/62/06/06/1061620606.db2.gz GDLARQQOEUCPOS-QGZVFWFLSA-N 0 0 476.628 2.612 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001289931046 1061620640 /nfs/dbraw/zinc/62/06/40/1061620640.db2.gz FXZSNOKWHCGHGL-SFHVURJKSA-N 0 0 492.646 2.919 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCCOc3ccccc3)n2C[C@H]2CCS(=O)(=O)C2)n1 ZINC001289930690 1061620710 /nfs/dbraw/zinc/62/07/10/1061620710.db2.gz CMCPJPQTPKMLNE-LJQANCHMSA-N 0 0 455.584 2.989 20 0 JFADRN CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)c2ccccc2)CC1 ZINC001294137351 1061621882 /nfs/dbraw/zinc/62/18/82/1061621882.db2.gz MECPVDMNFLDDJC-OAQYLSRUSA-N 0 0 489.642 2.901 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)c2ccc(C)cc2)CCO1 ZINC001286945301 1061622717 /nfs/dbraw/zinc/62/27/17/1061622717.db2.gz LCMNHZKPBHQETH-WZONZLPQSA-N 0 0 465.602 2.593 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2OCCC2(C)C)CCO1 ZINC001286945316 1061623542 /nfs/dbraw/zinc/62/35/42/1061623542.db2.gz LJHVHYASQBANFF-VXKWHMMOSA-N 0 0 471.602 2.630 20 0 JFADRN CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001294138494 1061623878 /nfs/dbraw/zinc/62/38/78/1061623878.db2.gz RYPPYBUZOBMBLQ-SFTDATJTSA-N 0 0 492.665 2.935 20 0 JFADRN CC(=O)NCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC001286945509 1061624818 /nfs/dbraw/zinc/62/48/18/1061624818.db2.gz IVJWRHBDJBHMFI-HKUYNNGSSA-N 0 0 469.565 2.886 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC[C@H]2C[C@H](F)C2)CCO1 ZINC001286945458 1061624871 /nfs/dbraw/zinc/62/48/71/1061624871.db2.gz HSLMEMZWZRUKIX-BRWVUGGUSA-N 0 0 451.493 2.627 20 0 JFADRN CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)c2ccccc2)CC1 ZINC001294139464 1061625157 /nfs/dbraw/zinc/62/51/57/1061625157.db2.gz VNWONDNMDPYOML-JOCHJYFZSA-N 0 0 490.674 2.906 20 0 JFADRN CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 ZINC001294138498 1061625205 /nfs/dbraw/zinc/62/52/05/1061625205.db2.gz RZFBWNAQNSEKDE-LJQANCHMSA-N 0 0 453.653 2.845 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(Cn3ccc4ccccc43)n2CC(F)(F)Br)CCO1 ZINC001286945596 1061625960 /nfs/dbraw/zinc/62/59/60/1061625960.db2.gz LOMNKWGRUYLKBR-INIZCTEOSA-N 0 0 497.344 2.610 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(C3CCCC3)n2CCCN(C)c2ccccc2F)CCO1 ZINC001286945656 1061626816 /nfs/dbraw/zinc/62/68/16/1061626816.db2.gz XKJIPDNSZBVNPC-FQEVSTJZSA-N 0 0 458.582 2.943 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CC2(S(C)(=O)=O)CCCC2)n1 ZINC001289933005 1061626791 /nfs/dbraw/zinc/62/67/91/1061626791.db2.gz XVARJHHGKVSEEU-BGYRXZFFSA-N 0 0 490.674 2.551 20 0 JFADRN Cc1cccc(-c2nnc(N(CCO)CCOCC(F)(F)F)n2C[C@@]2(O)CCC[C@@H]2C)n1 ZINC001289937603 1061627997 /nfs/dbraw/zinc/62/79/97/1061627997.db2.gz BFJCMXRSFIHZRY-YWZLYKJASA-N 0 0 457.497 2.577 20 0 JFADRN Cc1cccc(-c2nnc(N(CCO)CCOCC(F)(F)F)n2C[C@H]2CCC3(C2)OCCO3)n1 ZINC001289937634 1061628079 /nfs/dbraw/zinc/62/80/79/1061628079.db2.gz BSSXDLKTDMUWIF-KRWDZBQOSA-N 0 0 485.507 2.569 20 0 JFADRN CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@@H](c2ccc(F)cc2F)C2CC2)C1 ZINC001294140679 1061628192 /nfs/dbraw/zinc/62/81/92/1061628192.db2.gz SABANQYVXPHQCM-HNAYVOBHSA-N 0 0 458.527 2.956 20 0 JFADRN 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ZINC001289940325 1061631000 /nfs/dbraw/zinc/63/10/00/1061631000.db2.gz NASBGHODUMLEPK-IRXDYDNUSA-N 0 0 457.579 2.571 20 0 JFADRN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)c1 ZINC001294144770 1061631312 /nfs/dbraw/zinc/63/13/12/1061631312.db2.gz GLAJOGIDWBBHDS-WIBUTAKZSA-N 0 0 459.543 2.740 20 0 JFADRN NC(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC001294146149 1061632320 /nfs/dbraw/zinc/63/23/20/1061632320.db2.gz KQFSWZGHEPYPAN-CKEIUWERSA-N 0 0 454.340 2.601 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(Cn3ccc4ccccc43)n2CCCC(F)(F)F)CCO1 ZINC001286946259 1061632879 /nfs/dbraw/zinc/63/28/79/1061632879.db2.gz PKBTVQCSKWYREW-SFHVURJKSA-N 0 0 464.492 2.965 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cn3ccc4ccccc43)n2CCCC(F)(F)F)CCO1 ZINC001286946257 1061633003 /nfs/dbraw/zinc/63/30/03/1061633003.db2.gz PKBTVQCSKWYREW-GOSISDBHSA-N 0 0 464.492 2.965 20 0 JFADRN Cc1cccc(-c2nnc(N3C[C@H](C)O[C@]4(CCO[C@@H]4C)C3)n2CCCNC(=O)C(C)C)n1 ZINC001289940884 1061632952 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JVBUHKRQOGIZRC-NQIIRXRSSA-N 0 0 461.632 2.692 20 0 JFADRN Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(c3ccnn3C)CC2)c1 ZINC001290015959 1061738625 /nfs/dbraw/zinc/73/86/25/1061738625.db2.gz ISSFCCKJSBLCDT-GOSISDBHSA-N 0 0 471.631 2.557 20 0 JFADRN Cc1cccc(CCn2c(-c3cccc(Cl)c3)nnc2N(C)CC(=O)N2CCOCC2)n1 ZINC001290016557 1061739735 /nfs/dbraw/zinc/73/97/35/1061739735.db2.gz IEBYJHZDBXELMP-UHFFFAOYSA-N 0 0 454.962 2.840 20 0 JFADRN Cc1ccc(C(=O)NCCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c(O)c1 ZINC001290016738 1061740126 /nfs/dbraw/zinc/74/01/26/1061740126.db2.gz XEXXMUQFXLVDPH-UHFFFAOYSA-N 0 0 459.568 2.942 20 0 JFADRN O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)N1CC(OCCCc2ccccc2)C1 ZINC001294226985 1061740393 /nfs/dbraw/zinc/74/03/93/1061740393.db2.gz NLWRPXPYIXQBIC-UHFFFAOYSA-N 0 0 456.486 2.844 20 0 JFADRN Cc1cccc(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CCc2cnccn2)n1 ZINC001290016916 1061740804 /nfs/dbraw/zinc/74/08/04/1061740804.db2.gz NVJWAWOHIBRGSV-UHFFFAOYSA-N 0 0 477.594 2.764 20 0 JFADRN Cc1cccc(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@H]2CCOC2)n1 ZINC001290017035 1061741309 /nfs/dbraw/zinc/74/13/09/1061741309.db2.gz QHCVOAJNEVWOBX-LJQANCHMSA-N 0 0 484.626 2.614 20 0 JFADRN Cc1cccc(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@H](C(N)=O)C2)n1 ZINC001290017650 1061742047 /nfs/dbraw/zinc/74/20/47/1061742047.db2.gz TZYUJJJFRRUEBS-IBGZPJMESA-N 0 0 461.570 2.795 20 0 JFADRN Cc1cccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccsc2)c1 ZINC001290021107 1061743149 /nfs/dbraw/zinc/74/31/49/1061743149.db2.gz DUOXLJMAKIKZQU-HXUWFJFHSA-N 0 0 475.640 2.860 20 0 JFADRN Cc1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCOCc2ccccc2)n1 ZINC001290023643 1061744949 /nfs/dbraw/zinc/74/49/49/1061744949.db2.gz VLMIARBONRTMJA-OAQYLSRUSA-N 0 0 469.611 2.779 20 0 JFADRN Cc1cccc(CCn2c(COc3ccccc3F)nnc2N2CC[C@H](S(C)(=O)=O)C2)n1 ZINC001290025154 1061745511 /nfs/dbraw/zinc/74/55/11/1061745511.db2.gz ZLBJHVKRGCNRTA-SFHVURJKSA-N 0 0 459.547 2.566 20 0 JFADRN Cc1cccc(CCn2c(COc3ccccc3F)nnc2N2CC[C@@H](S(C)(=O)=O)C2)n1 ZINC001290025151 1061745578 /nfs/dbraw/zinc/74/55/78/1061745578.db2.gz ZLBJHVKRGCNRTA-GOSISDBHSA-N 0 0 459.547 2.566 20 0 JFADRN Cc1cccc(CCn2c(Nc3ccn(C)n3)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)n1 ZINC001290024759 1061745595 /nfs/dbraw/zinc/74/55/95/1061745595.db2.gz VGYDWUDTPQOAKM-UHFFFAOYSA-N 0 0 466.571 2.619 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CCc2cccc(C)n2)n1 ZINC001290025175 1061745741 /nfs/dbraw/zinc/74/57/41/1061745741.db2.gz ZQZGHJFWBVUYTA-UHFFFAOYSA-N 0 0 464.618 2.781 20 0 JFADRN Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001290029816 1061748510 /nfs/dbraw/zinc/74/85/10/1061748510.db2.gz WLZHFKLWRXAEJB-WOJBJXKFSA-N 0 0 489.642 2.888 20 0 JFADRN C[C@H](CC(=O)N1CC(OCCCc2ccccc2)C1)NS(=O)(=O)c1cccnc1Cl ZINC001294232682 1061748649 /nfs/dbraw/zinc/74/86/49/1061748649.db2.gz BNCOFYJAWAFHPO-MRXNPFEDSA-N 0 0 451.976 2.652 20 0 JFADRN C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(Cc3ccccc3F)n2CCOC(C)(C)C)CC1 ZINC001286971813 1061750508 /nfs/dbraw/zinc/75/05/08/1061750508.db2.gz CDUUXDLSHQRZCT-GOSISDBHSA-N 0 0 472.609 2.612 20 0 JFADRN NS(=O)(=O)c1nc(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)n2ccccc12 ZINC001294237089 1061750571 /nfs/dbraw/zinc/75/05/71/1061750571.db2.gz ZFJXRQBULDKSFD-UHFFFAOYSA-N 0 0 457.899 2.861 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(Cc2ccccc2)CC1 ZINC001286971942 1061751108 /nfs/dbraw/zinc/75/11/08/1061751108.db2.gz CIKOUCQQIMCLCR-MOPGFXCFSA-N 0 0 473.643 2.795 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(Cc2ccccc2)CC1)S(C)(=O)=O ZINC001286971944 1061751186 /nfs/dbraw/zinc/75/11/86/1061751186.db2.gz CIKOUCQQIMCLCR-RBUKOAKNSA-N 0 0 473.643 2.795 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(Cc2ccccc2)CC1 ZINC001286971943 1061751226 /nfs/dbraw/zinc/75/12/26/1061751226.db2.gz CIKOUCQQIMCLCR-OALUTQOASA-N 0 0 473.643 2.795 20 0 JFADRN C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(C3CCC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001286971964 1061751246 /nfs/dbraw/zinc/75/12/46/1061751246.db2.gz MHFMTSHYRKLDOP-IBGZPJMESA-N 0 0 489.665 2.545 20 0 JFADRN C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3ccccc3Cl)n2CC(F)(F)F)CC1 ZINC001286972017 1061751509 /nfs/dbraw/zinc/75/15/09/1061751509.db2.gz DDAMXPJAARAEAO-CYBMUJFWSA-N 0 0 456.900 2.950 20 0 JFADRN Cc1ccc(CNC(=O)C2CCN(C(=O)Cc3c(C)nc(-c4cccnc4)[nH]c3=O)CC2)cc1 ZINC001294240663 1061751659 /nfs/dbraw/zinc/75/16/59/1061751659.db2.gz YMVYTWVJPWDPLP-UHFFFAOYSA-N 0 0 459.550 2.959 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCc1cccc(F)c1 ZINC001286972063 1061751758 /nfs/dbraw/zinc/75/17/58/1061751758.db2.gz DOVVSQZHERLJJW-SJORKVTESA-N 0 0 488.589 2.955 20 0 JFADRN C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001286972149 1061752327 /nfs/dbraw/zinc/75/23/27/1061752327.db2.gz OSGHORWJFZENMN-FQEVSTJZSA-N 0 0 482.673 2.984 20 0 JFADRN CCCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCN1CCOC[C@H]1C ZINC001294242772 1061752564 /nfs/dbraw/zinc/75/25/64/1061752564.db2.gz OMVQZCBPSVNHSR-GOSISDBHSA-N 0 0 453.591 2.539 20 0 JFADRN CCCCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001294242172 1061752647 /nfs/dbraw/zinc/75/26/47/1061752647.db2.gz FELSJHZSJPAZBN-QFIPXVFZSA-N 0 0 459.572 2.776 20 0 JFADRN CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)c1ccc(Cl)cc1 ZINC001294243227 1061753140 /nfs/dbraw/zinc/75/31/40/1061753140.db2.gz DJHYUGQOCGZFTE-NRFANRHFSA-N 0 0 458.971 2.990 20 0 JFADRN CCCCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001294244174 1061753316 /nfs/dbraw/zinc/75/33/16/1061753316.db2.gz BMKVDBWVOYIYJJ-MOPGFXCFSA-N 0 0 459.616 2.860 20 0 JFADRN CCCCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F ZINC001294244622 1061753738 /nfs/dbraw/zinc/75/37/38/1061753738.db2.gz IQXCEEXJHZOEFH-SFHVURJKSA-N 0 0 457.547 2.564 20 0 JFADRN CCCCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(F)(F)F)cs1 ZINC001294244630 1061753844 /nfs/dbraw/zinc/75/38/44/1061753844.db2.gz IWKPVORUZVWIGR-ZDUSSCGKSA-N 0 0 496.581 2.761 20 0 JFADRN CCCCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC001294247845 1061755086 /nfs/dbraw/zinc/75/50/86/1061755086.db2.gz WRFQZDZJMGLVIH-PMACEKPBSA-N 0 0 479.647 2.782 20 0 JFADRN CNc1cc(Cl)ccc1C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC001290039815 1061755521 /nfs/dbraw/zinc/75/55/21/1061755521.db2.gz RWVPEOOPKDEZJB-UHFFFAOYSA-N 0 0 451.961 2.533 20 0 JFADRN C[C@@]1(CCC(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CCC(=O)N1 ZINC001290039355 1061755830 /nfs/dbraw/zinc/75/58/30/1061755830.db2.gz CKYRTQMLGFOPQO-JOCHJYFZSA-N 0 0 459.524 2.646 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)cn2C)n1CCc1cccnc1 ZINC001286972721 1061755908 /nfs/dbraw/zinc/75/59/08/1061755908.db2.gz JWAHKVIBZKNNDQ-HUUCEWRRSA-N 0 0 495.447 2.942 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)cn2C)n1CCc1cccnc1 ZINC001286972720 1061756094 /nfs/dbraw/zinc/75/60/94/1061756094.db2.gz JWAHKVIBZKNNDQ-GJZGRUSLSA-N 0 0 495.447 2.942 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)cn2C)n1CCc1cccnc1 ZINC001286972719 1061756118 /nfs/dbraw/zinc/75/61/18/1061756118.db2.gz JWAHKVIBZKNNDQ-CABCVRRESA-N 0 0 495.447 2.942 20 0 JFADRN Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CC(OCCCOc3ccccc3)C2)CCCC1 ZINC001294249282 1061756258 /nfs/dbraw/zinc/75/62/58/1061756258.db2.gz GLAVOXNSEVBWGP-UHFFFAOYSA-N 0 0 454.571 2.776 20 0 JFADRN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001290040787 1061756239 /nfs/dbraw/zinc/75/62/39/1061756239.db2.gz QMKGROPZWFQNSS-ZDUSSCGKSA-N 0 0 451.932 2.956 20 0 JFADRN Cc1ccc(NC(=O)[C@@H]2COC(=O)N2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC001290040346 1061756368 /nfs/dbraw/zinc/75/63/68/1061756368.db2.gz KBETUZULOKTKLX-AWEZNQCLSA-N 0 0 454.302 2.605 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CC1(S(C)(=O)=O)CCC1)S(C)(=O)=O ZINC001286972845 1061756693 /nfs/dbraw/zinc/75/66/93/1061756693.db2.gz JYWCIFUVKZRNAS-LSDHHAIUSA-N 0 0 489.063 2.824 20 0 JFADRN CCCCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCO2 ZINC001294251834 1061757157 /nfs/dbraw/zinc/75/71/57/1061757157.db2.gz BHTSQMDAHWEFSB-FQEVSTJZSA-N 0 0 462.616 2.806 20 0 JFADRN Cc1cccc(N2CCN(c3nnc([C@@H]4CCCCO4)n3CCS(=O)(=O)NC(C)C)CC2)c1C ZINC001290041491 1061757311 /nfs/dbraw/zinc/75/73/11/1061757311.db2.gz DWDJYNALDBVKRW-QFIPXVFZSA-N 0 0 490.674 2.791 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCc1cnn(C)n1)S(C)(=O)=O ZINC001286972880 1061757262 /nfs/dbraw/zinc/75/72/62/1061757262.db2.gz KMLLGKKWTOMBLV-RBUKOAKNSA-N 0 0 485.658 2.767 20 0 JFADRN C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(CC3CC3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001286972991 1061757807 /nfs/dbraw/zinc/75/78/07/1061757807.db2.gz YAAQLCVEVRWJOM-MRXNPFEDSA-N 0 0 456.557 2.952 20 0 JFADRN 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Cc1cccc(N2CCN(c3nnc([C@H]4CCCO4)n3CCS(=O)(=O)C(C)(C)C)CC2)c1 ZINC001290041899 1061758379 /nfs/dbraw/zinc/75/83/79/1061758379.db2.gz UNRCEMRZTVIRGH-HXUWFJFHSA-N 0 0 461.632 2.978 20 0 JFADRN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC001290043018 1061758967 /nfs/dbraw/zinc/75/89/67/1061758967.db2.gz QVWQUUXOBAOOAG-AVRDEDQJSA-N 0 0 457.596 2.943 20 0 JFADRN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc3c(ncnc3N(C)C)n2C)cc1 ZINC001290042142 1061759141 /nfs/dbraw/zinc/75/91/41/1061759141.db2.gz AUXHMUKMLAJPSF-HNNXBMFYSA-N 0 0 458.588 2.556 20 0 JFADRN Cc1cccc(NC(=O)CN2CCN(c3nnc(C(C)(C)C)n3CC3(C)COC3)CC2)c1C ZINC001290042037 1061759197 /nfs/dbraw/zinc/75/91/97/1061759197.db2.gz ZLGXMSKPFWGUBT-UHFFFAOYSA-N 0 0 454.619 2.990 20 0 JFADRN CCCCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2cc(C)nc21 ZINC001294254783 1061759567 /nfs/dbraw/zinc/75/95/67/1061759567.db2.gz TTXRUTIIALPKEJ-RBUKOAKNSA-N 0 0 464.636 2.516 20 0 JFADRN 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CCCOc1ncccc1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001294982630 1062766918 /nfs/dbraw/zinc/76/69/18/1062766918.db2.gz QYHBJEQERRVPRV-XMMPIXPASA-N 0 0 452.534 2.942 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCOC2CCOCC2)CCO1 ZINC001287295326 1062766961 /nfs/dbraw/zinc/76/69/61/1062766961.db2.gz AGLOCSJSPKGXCT-IBGZPJMESA-N 0 0 477.631 2.717 20 0 JFADRN CCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001294982830 1062767992 /nfs/dbraw/zinc/76/79/92/1062767992.db2.gz CAWFFHDJFAUQNQ-NQIIRXRSSA-N 0 0 497.644 2.838 20 0 JFADRN CCCOc1ncccc1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001294982905 1062768023 /nfs/dbraw/zinc/76/80/23/1062768023.db2.gz VZBDEKNSYGIYSU-HXUWFJFHSA-N 0 0 463.586 2.849 20 0 JFADRN C[C@H]1CCCN(CCNC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 ZINC001290891532 1062768818 /nfs/dbraw/zinc/76/88/18/1062768818.db2.gz NLUHBXBYLLGCAL-FUHWJXTLSA-N 0 0 459.450 2.891 20 0 JFADRN COC(=O)c1c(C)nn(C)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 ZINC001287296820 1062769901 /nfs/dbraw/zinc/76/99/01/1062769901.db2.gz MTPYREGEROQIMT-UHFFFAOYSA-N 0 0 456.524 2.901 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)CCS1 ZINC001287298704 1062771146 /nfs/dbraw/zinc/77/11/46/1062771146.db2.gz GGWZCIBEQARCKB-XLIONFOSSA-N 0 0 497.662 2.998 20 0 JFADRN Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001290897200 1062771076 /nfs/dbraw/zinc/77/10/76/1062771076.db2.gz GHHOOGFOVUNTCE-ZDUSSCGKSA-N 0 0 456.473 2.611 20 0 JFADRN Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001290897199 1062771158 /nfs/dbraw/zinc/77/11/58/1062771158.db2.gz GHHOOGFOVUNTCE-CYBMUJFWSA-N 0 0 456.473 2.611 20 0 JFADRN Cc1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001290898323 1062771674 /nfs/dbraw/zinc/77/16/74/1062771674.db2.gz WIMSACGKDWRXRI-OKZBNKHCSA-N 0 0 488.555 2.685 20 0 JFADRN Cc1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CCc1cccc(C(N)=O)c1 ZINC001290898192 1062771743 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/nfs/dbraw/zinc/78/92/36/1062789236.db2.gz RXHRYRZPLLWHKX-DYVFJYSZSA-N 0 0 472.562 2.607 20 0 JFADRN CCCO[C@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CCC2)CC1 ZINC001295002650 1062789934 /nfs/dbraw/zinc/78/99/34/1062789934.db2.gz QKCYZFGCUDBKBS-PMACEKPBSA-N 0 0 483.679 2.977 20 0 JFADRN CCCO[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCNS(=O)(=O)c2ccccc2)CC1 ZINC001295002762 1062790322 /nfs/dbraw/zinc/79/03/22/1062790322.db2.gz SENPCXBKVPYAQW-PMACEKPBSA-N 0 0 477.631 2.546 20 0 JFADRN COC(=O)c1c2n(c(-c3cccc(NC(=O)C4CCN(OC)CC4)c3)c1C(=O)OC)CCC2 ZINC001290916837 1062791309 /nfs/dbraw/zinc/79/13/09/1062791309.db2.gz WUAIEHLXLUDKIP-UHFFFAOYSA-N 0 0 455.511 2.886 20 0 JFADRN Cc1noc(C)c1CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001290917373 1062791788 /nfs/dbraw/zinc/79/17/88/1062791788.db2.gz BGXYKUQIJKYROM-UHFFFAOYSA-N 0 0 451.575 2.806 20 0 JFADRN CCCO[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H](C(C)C)N2CCOCC2)CC1 ZINC001295005317 1062792081 /nfs/dbraw/zinc/79/20/81/1062792081.db2.gz FBTWDZVKWCRLPT-FGZHOGPDSA-N 0 0 476.666 2.543 20 0 JFADRN Cc1noc(C)c1CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001290917555 1062792415 /nfs/dbraw/zinc/79/24/15/1062792415.db2.gz DXJFWKCPIFISNL-HXUWFJFHSA-N 0 0 497.600 2.841 20 0 JFADRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O ZINC001287319270 1062792347 /nfs/dbraw/zinc/79/23/47/1062792347.db2.gz MVTFVOCJVMEZPB-WZONZLPQSA-N 0 0 488.658 2.787 20 0 JFADRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001287320015 1062793488 /nfs/dbraw/zinc/79/34/88/1062793488.db2.gz QVXZEHKAACDRLM-DBQGFPOUSA-N 0 0 463.648 2.973 20 0 JFADRN CCCO[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(C)=O)nc2)CC1 ZINC001295006506 1062794009 /nfs/dbraw/zinc/79/40/09/1062794009.db2.gz NHMJBMOZGFBELV-HXUWFJFHSA-N 0 0 469.590 2.588 20 0 JFADRN CC(C)CC(=O)Nc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001287320282 1062793865 /nfs/dbraw/zinc/79/38/65/1062793865.db2.gz 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2.920 20 0 JFADRN CCCO[C@@H]1CCCN(c2nnc(COc3ccc(OC)cc3)n2CC(=O)N2CCOCC2)CC1 ZINC001295008530 1062796169 /nfs/dbraw/zinc/79/61/69/1062796169.db2.gz MDTNRVYZYLUWLP-OAQYLSRUSA-N 0 0 487.601 2.510 20 0 JFADRN CCCOCc1ccccc1Cn1c(C(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC001295008934 1062797498 /nfs/dbraw/zinc/79/74/98/1062797498.db2.gz QVUMXMVWGAYAEL-HXUWFJFHSA-N 0 0 454.575 2.849 20 0 JFADRN Cc1noc(C)c1CCn1c(N(C)Cc2cccc(C(N)=O)c2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001290921869 1062797764 /nfs/dbraw/zinc/79/77/64/1062797764.db2.gz RXTRFBYCGLTQBR-RUZDIDTESA-N 0 0 482.585 2.902 20 0 JFADRN CCCOCc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001295010253 1062799207 /nfs/dbraw/zinc/79/92/07/1062799207.db2.gz GDLSBWDLTDKJAD-VSKRKVRLSA-N 0 0 472.586 2.855 20 0 JFADRN Cc1noc(C)c1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cl ZINC001290925007 1062799482 /nfs/dbraw/zinc/79/94/82/1062799482.db2.gz AWWQAEGBGLAKBZ-ZDUSSCGKSA-N 0 0 452.968 2.831 20 0 JFADRN 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ZINC001295015723 1062810597 /nfs/dbraw/zinc/81/05/97/1062810597.db2.gz ZOZZCICZQAZYIH-MSOLQXFVSA-N 0 0 457.666 2.714 20 0 JFADRN CCCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCS2)CC1 ZINC001295015724 1062810796 /nfs/dbraw/zinc/81/07/96/1062810796.db2.gz ZOZZCICZQAZYIH-QZTJIDSGSA-N 0 0 457.666 2.714 20 0 JFADRN CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2ccccc2)CC1 ZINC001295016801 1062811489 /nfs/dbraw/zinc/81/14/89/1062811489.db2.gz ATRKQAFYBIDXMV-DEOSSOPVSA-N 0 0 484.626 2.546 20 0 JFADRN CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccn3C)n2C[C@H](OC)c2ccccc2)CC1 ZINC001295016855 1062812042 /nfs/dbraw/zinc/81/20/42/1062812042.db2.gz DFTCPEHLQCGZMK-QFIPXVFZSA-N 0 0 486.642 2.970 20 0 JFADRN CC(C)NC(=O)Nc1ccc(CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)cc1 ZINC001290936676 1062812154 /nfs/dbraw/zinc/81/21/54/1062812154.db2.gz RIZYRTDQNSMANX-NRFANRHFSA-N 0 0 454.575 2.864 20 0 JFADRN Cc1noc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3CCc3ccc(O)cc3)CC2)n1 ZINC001290940324 1062814569 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C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ncnn2C(C)(C)C)CCCO1 ZINC001291199627 1063354120 /nfs/dbraw/zinc/35/41/20/1063354120.db2.gz REHLMKUGZCAMKN-MRXNPFEDSA-N 0 0 487.008 2.872 20 0 JFADRN C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cnn(C)c2)C[C@H](C(F)(F)F)O1 ZINC001291199902 1063354632 /nfs/dbraw/zinc/35/46/32/1063354632.db2.gz VMJKDKNJBQFLQK-CXAGYDPISA-N 0 0 497.909 2.799 20 0 JFADRN C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(C)(F)F)CC(=O)N1C ZINC001291199942 1063354954 /nfs/dbraw/zinc/35/49/54/1063354954.db2.gz VYXFLTZLFYQSJH-CYBMUJFWSA-N 0 0 454.909 2.574 20 0 JFADRN C[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccccc2S(=O)(=O)N(C)C)C[C@@]2(CCCOC2)O1 ZINC001291200271 1063355597 /nfs/dbraw/zinc/35/55/97/1063355597.db2.gz BSCJXHHLDNPTPZ-HOYKHHGWSA-N 0 0 491.658 2.649 20 0 JFADRN CCOc1ccccc1N1C[C@H](C(=O)NC[C@H](Cc2ccccc2OC)C(=O)OC)CC1=O ZINC001295384799 1063355816 /nfs/dbraw/zinc/35/58/16/1063355816.db2.gz PIWJOLIFXJUHAC-RBUKOAKNSA-N 0 0 454.523 2.595 20 0 JFADRN 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CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@@](C)=O)CC1 ZINC001295773484 1063781962 /nfs/dbraw/zinc/78/19/62/1063781962.db2.gz FTKZDOIAQQPAAO-JGCGQSQUSA-N 0 0 452.584 2.906 20 0 JFADRN CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@](C)=O)CC1 ZINC001295773485 1063782029 /nfs/dbraw/zinc/78/20/29/1063782029.db2.gz FTKZDOIAQQPAAO-YTTGMZPUSA-N 0 0 452.584 2.906 20 0 JFADRN C[C@@H]1[C@H](C)SCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnn(C)c1 ZINC001291328415 1063783104 /nfs/dbraw/zinc/78/31/04/1063783104.db2.gz WYEYUMLARKQUSX-CABCVRRESA-N 0 0 460.007 2.974 20 0 JFADRN C[C@H]1SCCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ncn(C)n2)[C@H]1C ZINC001291328684 1063783538 /nfs/dbraw/zinc/78/35/38/1063783538.db2.gz ZQHJCMMORREQSL-NWDGAFQWSA-N 0 0 451.398 2.553 20 0 JFADRN C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCS[C@@H](C)[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001291329168 1063783561 /nfs/dbraw/zinc/78/35/61/1063783561.db2.gz GTPXFONWWAKKRU-UGUYLWEFSA-N 0 0 452.625 2.815 20 0 JFADRN 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IIRDPAILRKIKCO-IBGZPJMESA-N 0 0 482.637 2.938 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3cc(C)cn3)C2)n1Cc1ncnn1C(C)(C)C ZINC001292089104 1064772872 /nfs/dbraw/zinc/77/28/72/1064772872.db2.gz IIRDPAILRKIKCO-LJQANCHMSA-N 0 0 482.637 2.938 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3cncn3)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001292089458 1064773569 /nfs/dbraw/zinc/77/35/69/1064773569.db2.gz KFBVRZLCJBRYAX-SJLPKXTDSA-N 0 0 497.570 2.514 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](NC(C)=O)C2)n1C[C@@H](C)c1c(C)noc1C ZINC001292090094 1064775095 /nfs/dbraw/zinc/77/50/95/1064775095.db2.gz OEMKBLYSCAMEDD-KUHUBIRLSA-N 0 0 459.595 2.710 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@H]1NC(=O)CC1(C)C ZINC001292090731 1064776893 /nfs/dbraw/zinc/77/68/93/1064776893.db2.gz BFCWDOGERCVADR-QZTJIDSGSA-N 0 0 462.639 2.895 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3nc(C)cc3C)C2)n1CCCC(=O)N(C)C ZINC001292090965 1064777531 /nfs/dbraw/zinc/77/75/31/1064777531.db2.gz SCJGDMYFMGJIRV-FQEVSTJZSA-N 0 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CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1Cc1ccc(C)n(C)c1=O ZINC001292093531 1064782538 /nfs/dbraw/zinc/78/25/38/1064782538.db2.gz DYSHOCIVKIYUAN-WOJBJXKFSA-N 0 0 484.645 2.895 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1Cc1cnccc1OC ZINC001292093970 1064783294 /nfs/dbraw/zinc/78/32/94/1064783294.db2.gz HMHKSUHTUNJVRQ-KRWDZBQOSA-N 0 0 466.590 2.766 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1C[C@@H]1CC(F)(F)CO1 ZINC001292094258 1064784081 /nfs/dbraw/zinc/78/40/81/1064784081.db2.gz JMKADKNPSWSXTN-HOCLYGCPSA-N 0 0 467.521 2.696 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC1CCCCC1 ZINC001292094593 1064784740 /nfs/dbraw/zinc/78/47/40/1064784740.db2.gz NPNPHIGEDYBDJB-SFHVURJKSA-N 0 0 468.668 2.542 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC1CCCCC1 ZINC001292094592 1064784830 /nfs/dbraw/zinc/78/48/30/1064784830.db2.gz NPNPHIGEDYBDJB-GOSISDBHSA-N 0 0 468.668 2.542 20 0 JFADRN 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CC(=O)N1CCN(CCn2c(COc3ccccc3F)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001286890569 1061355427 /nfs/dbraw/zinc/35/54/27/1061355427.db2.gz SMQZCXRXCVYVBT-RBUKOAKNSA-N 0 0 458.582 2.785 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2Cc2ccco2)cc1C ZINC001289740973 1061356117 /nfs/dbraw/zinc/35/61/17/1061356117.db2.gz WFYZCJRYHYIZFK-SFHVURJKSA-N 0 0 486.598 2.554 20 0 JFADRN CC(=O)N1CCN(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CCC(F)F)CC1 ZINC001286890701 1061356448 /nfs/dbraw/zinc/35/64/48/1061356448.db2.gz VEZVDEJCERJWAO-SFHVURJKSA-N 0 0 499.607 2.606 20 0 JFADRN CC(=O)Nc1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001286890925 1061357159 /nfs/dbraw/zinc/35/71/59/1061357159.db2.gz WFTAQFZXWWCBMU-IAGOWNOFSA-N 0 0 463.542 2.740 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[C@@H]2COCCO2)cc1C ZINC001289742725 1061358646 /nfs/dbraw/zinc/35/86/46/1061358646.db2.gz FIOCYJDXYLPWCE-NHCUHLMSSA-N 0 0 457.575 2.814 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H]([C@H]4CCCO4)C3)n2CCC(C)(C)O)cc1C ZINC001289742537 1061358720 /nfs/dbraw/zinc/35/87/20/1061358720.db2.gz BQROJTGCCTWRRH-WOJBJXKFSA-N 0 0 457.575 2.692 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CCN4CCOC[C@@H]4C3)n2CCSC(F)(F)F)cc1C ZINC001289742575 1061358759 /nfs/dbraw/zinc/35/87/59/1061358759.db2.gz CALYMTLCZYNSNA-KRWDZBQOSA-N 0 0 484.548 2.921 20 0 JFADRN CC(=O)N1CCN(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001286891286 1061359075 /nfs/dbraw/zinc/35/90/75/1061359075.db2.gz WZRXDZYMULZRHP-OALUTQOASA-N 0 0 488.608 2.725 20 0 JFADRN CC(=O)N1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)CCC(F)(F)F)CC1 ZINC001286891304 1061359118 /nfs/dbraw/zinc/35/91/18/1061359118.db2.gz IASNTTGDCYWECP-UHFFFAOYSA-N 0 0 459.904 2.546 20 0 JFADRN CC(=O)N1CCN(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001286891287 1061359160 /nfs/dbraw/zinc/35/91/60/1061359160.db2.gz WZRXDZYMULZRHP-RBUKOAKNSA-N 0 0 488.608 2.725 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCN2CCSCC2)cc1C ZINC001289743132 1061359511 /nfs/dbraw/zinc/35/95/11/1061359511.db2.gz JEZXIPKXPMEHKN-GOSISDBHSA-N 0 0 498.575 2.964 20 0 JFADRN CC(=O)N1CCN(CCn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001286891422 1061359683 /nfs/dbraw/zinc/35/96/83/1061359683.db2.gz XCCVIGZOCGWUBZ-SFHVURJKSA-N 0 0 484.523 2.558 20 0 JFADRN CC(=O)N1CCN(CCn2c(-c3ccc(Cl)cc3F)nnc2N(CCCCO)C2CC2)CC1 ZINC001286891591 1061361191 /nfs/dbraw/zinc/36/11/91/1061361191.db2.gz KVOYFCBIOMPROD-UHFFFAOYSA-N 0 0 479.000 2.643 20 0 JFADRN CC(=O)Nc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)CC(C)(C)C2)cc1 ZINC001286891897 1061362742 /nfs/dbraw/zinc/36/27/42/1061362742.db2.gz DPHHFCDWTMTRKH-DLBZAZTESA-N 0 0 476.647 2.962 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CCS(=O)CC3)n2CC(=O)N(C)C2CCCCC2)cc1C ZINC001289746460 1061363413 /nfs/dbraw/zinc/36/34/13/1061363413.db2.gz HOCSCPOLOUSPRR-UHFFFAOYSA-N 0 0 486.642 2.507 20 0 JFADRN CC(=O)Nc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C)o2)cc1 ZINC001286892462 1061364493 /nfs/dbraw/zinc/36/44/93/1061364493.db2.gz PHPKSEMPWJJTOX-MRXNPFEDSA-N 0 0 474.587 2.627 20 0 JFADRN CC(=O)N1CCN(CCn2c(-c3cccn3C)nnc2N(C)[C@H](C)c2ccccc2F)CC1 ZINC001286892574 1061364944 /nfs/dbraw/zinc/36/49/44/1061364944.db2.gz XJTUTCUSXRZAOH-GOSISDBHSA-N 0 0 453.566 2.784 20 0 JFADRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC3CCCC3)C2)nc1 ZINC001289746892 1061365056 /nfs/dbraw/zinc/36/50/56/1061365056.db2.gz DYKSJMICXGNUSL-IEBWSBKVSA-N 0 0 489.646 2.637 20 0 JFADRN Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)C)n3Cc3ccc(C(N)=O)nc3)C2)nc1 ZINC001289746905 1061365125 /nfs/dbraw/zinc/36/51/25/1061365125.db2.gz FFBUVPOAQQMSSB-SFHVURJKSA-N 0 0 462.558 2.502 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CCSC[C@@H]3C)n2CC(=O)NCc2ccco2)cc1C ZINC001289747084 1061365486 /nfs/dbraw/zinc/36/54/86/1061365486.db2.gz NLZUHWKPORJZJU-KRWDZBQOSA-N 0 0 468.583 2.998 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CC(=O)NCc2ccco2)cc1C ZINC001289747032 1061365644 /nfs/dbraw/zinc/36/56/44/1061365644.db2.gz NGLJUFPCQBLRPF-APWZRJJASA-N 0 0 454.506 2.851 20 0 JFADRN CC(=O)Nc1ccc(CCn2c(-c3ccc(C)o3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001286892688 1061366384 /nfs/dbraw/zinc/36/63/84/1061366384.db2.gz TUHUXDBYWMHJLP-LJQANCHMSA-N 0 0 457.556 2.671 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCC(F)(F)C2)cc1C ZINC001289747778 1061367069 /nfs/dbraw/zinc/36/70/69/1061367069.db2.gz UFFWUIACJQDJGB-INIZCTEOSA-N 0 0 467.542 2.817 20 0 JFADRN CC(=O)Nc1ccc(CCn2c(CC3CC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)cc1 ZINC001286892959 1061367195 /nfs/dbraw/zinc/36/71/95/1061367195.db2.gz ALLDOOABOBSTKP-NRFANRHFSA-N 0 0 459.616 2.835 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ncc(Cl)n2C)cc1 ZINC001286893034 1061367695 /nfs/dbraw/zinc/36/76/95/1061367695.db2.gz DJMDHNNPHAKNCU-UHFFFAOYSA-N 0 0 493.959 2.955 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CCS[C@H](C)[C@H]3C)n2CCCn2cc(CO)nn2)cc1C ZINC001289748093 1061368095 /nfs/dbraw/zinc/36/80/95/1061368095.db2.gz WZHAGSCHGMVMMF-QZTJIDSGSA-N 0 0 484.630 2.652 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC001286893312 1061368589 /nfs/dbraw/zinc/36/85/89/1061368589.db2.gz BYRGEUMADYYKFM-DBVUQKKJSA-N 0 0 474.631 2.912 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)cn1 ZINC001286893818 1061370173 /nfs/dbraw/zinc/37/01/73/1061370173.db2.gz IKLNTJRJZVQQMZ-HZPDHXFCSA-N 0 0 481.532 2.626 20 0 JFADRN COc1ccc(NC(=O)COc2ccc(C(=O)NC3(c4nc(C)no4)CC3)cc2OC)cc1 ZINC001289750217 1061371500 /nfs/dbraw/zinc/37/15/00/1061371500.db2.gz LKJCXFQBKPTGRA-UHFFFAOYSA-N 0 0 452.467 2.832 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@@H]2CCSC2)cn1 ZINC001286894125 1061371573 /nfs/dbraw/zinc/37/15/73/1061371573.db2.gz MNUHLTDVIUMRAO-GOSISDBHSA-N 0 0 486.623 2.692 20 0 JFADRN CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)Nc1c(Br)cnn1C1CC1 ZINC001289750579 1061371993 /nfs/dbraw/zinc/37/19/93/1061371993.db2.gz SKMTYLCUGAFEIA-LBPRGKRZSA-N 0 0 456.366 2.912 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cn1 ZINC001286894137 1061372051 /nfs/dbraw/zinc/37/20/51/1061372051.db2.gz MXCZEXDRTUOFEK-GOSISDBHSA-N 0 0 474.974 2.624 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)cn1 ZINC001286894402 1061372513 /nfs/dbraw/zinc/37/25/13/1061372513.db2.gz DGXFZGCUISHINZ-INIZCTEOSA-N 0 0 488.518 2.738 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC001286894477 1061372989 /nfs/dbraw/zinc/37/29/89/1061372989.db2.gz GDXJKXNDASNWTJ-UHFFFAOYSA-N 0 0 490.612 2.901 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCOc2ccccc2Cl)cn1 ZINC001286895081 1061374331 /nfs/dbraw/zinc/37/43/31/1061374331.db2.gz FZELDGRCTDPYGY-SFHVURJKSA-N 0 0 483.960 2.800 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CCCCC2)cn1 ZINC001286895212 1061374446 /nfs/dbraw/zinc/37/44/46/1061374446.db2.gz PNTWBSNLYXLBJW-IBGZPJMESA-N 0 0 460.604 2.598 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)cc1 ZINC001286895218 1061374827 /nfs/dbraw/zinc/37/48/27/1061374827.db2.gz PPHPTFWJOCHYTC-NTKDMRAZSA-N 0 0 495.672 2.862 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCS[C@@H](C(C)C)C2)cc1 ZINC001286895233 1061374884 /nfs/dbraw/zinc/37/48/84/1061374884.db2.gz QAUABZYDGXDGSG-AZUAARDMSA-N 0 0 477.656 2.765 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H]3CCOC3)nnc2N(C)CCOCc2ccccc2)cn1 ZINC001286895536 1061375530 /nfs/dbraw/zinc/37/55/30/1061375530.db2.gz LWRZZLOLFISSNV-NRFANRHFSA-N 0 0 450.543 2.837 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)c2nccs2)cc1 ZINC001286895674 1061375899 /nfs/dbraw/zinc/37/58/99/1061375899.db2.gz MKHWLUDFJLQQLN-KBXCAEBGSA-N 0 0 453.572 2.932 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)c2nccs2)cc1 ZINC001286895677 1061376398 /nfs/dbraw/zinc/37/63/98/1061376398.db2.gz MKHWLUDFJLQQLN-KSSFIOAISA-N 0 0 453.572 2.932 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)c2nccs2)cc1 ZINC001286895679 1061376415 /nfs/dbraw/zinc/37/64/15/1061376415.db2.gz MKHWLUDFJLQQLN-RDTXWAMCSA-N 0 0 453.572 2.932 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCCS2(=O)=O)cc1 ZINC001289754850 1061376774 /nfs/dbraw/zinc/37/67/74/1061376774.db2.gz WTKDODXUVDSTFR-GOSISDBHSA-N 0 0 456.572 2.624 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCOC2)cc1 ZINC001289755504 1061377980 /nfs/dbraw/zinc/37/79/80/1061377980.db2.gz DAPQUTFKDYJTBS-KRWDZBQOSA-N 0 0 468.583 2.689 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CCC(=O)N2CCOCC2)cc1 ZINC001289755416 1061377998 /nfs/dbraw/zinc/37/79/98/1061377998.db2.gz CMCDWTCWHNIRQE-UHFFFAOYSA-N 0 0 482.610 2.563 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(COc3cc(C)ccc3C)nnc2N2CCC[C@H](NC(C)=O)C2)cn1 ZINC001286896258 1061378884 /nfs/dbraw/zinc/37/88/84/1061378884.db2.gz JOELKZJUVOMWPI-QFIPXVFZSA-N 0 0 491.596 2.981 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(Cc3cccnc3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001286896331 1061379037 /nfs/dbraw/zinc/37/90/37/1061379037.db2.gz AYEXSUOKLMNPTM-BGYRXZFFSA-N 0 0 477.613 2.816 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(Cc3csc(C)n3)nnc2N2CCN(C(C)=O)C[C@@H]2C)c1 ZINC001286896346 1061379188 /nfs/dbraw/zinc/37/91/88/1061379188.db2.gz BHRQZJHGNLXSKS-HNNXBMFYSA-N 0 0 467.599 2.698 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001289756470 1061379120 /nfs/dbraw/zinc/37/91/20/1061379120.db2.gz LGYDTRXLXZHUOX-MOPGFXCFSA-N 0 0 496.534 2.776 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)cn1 ZINC001286896314 1061379265 /nfs/dbraw/zinc/37/92/65/1061379265.db2.gz KJNDEJKPWWCUDO-SFHVURJKSA-N 0 0 477.569 2.543 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(C(=O)NC(C)C)n2CCc2ccc(F)c(F)c2F)CC1 ZINC001286896397 1061379641 /nfs/dbraw/zinc/37/96/41/1061379641.db2.gz DAGLNLOWZYMESF-UHFFFAOYSA-N 0 0 480.535 2.960 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cn1 ZINC001286896501 1061379661 /nfs/dbraw/zinc/37/96/61/1061379661.db2.gz DCKPHPWIBUSJJE-SFHVURJKSA-N 0 0 474.974 2.624 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@]2(O)CCSC2)cc1 ZINC001289757787 1061379539 /nfs/dbraw/zinc/37/95/39/1061379539.db2.gz VIVLJUYOWPYNBW-HSZRJFAPSA-N 0 0 452.584 2.515 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c(-c3ccccn3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1 ZINC001289758641 1061380180 /nfs/dbraw/zinc/38/01/80/1061380180.db2.gz DJURBVFRBUGHEC-OAQYLSRUSA-N 0 0 477.613 2.763 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)cc1 ZINC001286896752 1061380244 /nfs/dbraw/zinc/38/02/44/1061380244.db2.gz VENZHRRUEDTXKX-QGZVFWFLSA-N 0 0 478.475 2.584 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)cn1 ZINC001286896667 1061380395 /nfs/dbraw/zinc/38/03/95/1061380395.db2.gz NLTOGGPNDKWHAG-UHFFFAOYSA-N 0 0 490.612 2.749 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C(F)(F)F)C2)cc1 ZINC001286896817 1061380673 /nfs/dbraw/zinc/38/06/73/1061380673.db2.gz VNJRBMDGSFLDIJ-AEFFLSMTSA-N 0 0 453.465 2.946 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(CNS(C)(=O)=O)CC2)cc1 ZINC001289758776 1061380937 /nfs/dbraw/zinc/38/09/37/1061380937.db2.gz GFPSLSQBNIPOEH-IBGZPJMESA-N 0 0 484.626 2.882 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccccn2)cc1 ZINC001289759604 1061381955 /nfs/dbraw/zinc/38/19/55/1061381955.db2.gz OIHVJJSLWNLMNI-QZTJIDSGSA-N 0 0 458.588 2.696 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCCN(C(=O)C(C)C)CC2)cc1 ZINC001286897334 1061382190 /nfs/dbraw/zinc/38/21/90/1061382190.db2.gz RUBAUOARCKLZEW-UHFFFAOYSA-N 0 0 475.597 2.965 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)CS(C)(=O)=O)cc1 ZINC001289760634 1061382914 /nfs/dbraw/zinc/38/29/14/1061382914.db2.gz WDZUKFAHNOPTLR-MSOLQXFVSA-N 0 0 486.598 2.571 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCc2cccs2)c1 ZINC001286897770 1061383463 /nfs/dbraw/zinc/38/34/63/1061383463.db2.gz ASBZXCZOGMZNHM-GOSISDBHSA-N 0 0 473.624 2.927 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(N(C)Cc3nccs3)nnc2[C@]2(OC(C)C)CCOC2)cn1 ZINC001286897848 1061384080 /nfs/dbraw/zinc/38/40/80/1061384080.db2.gz AKCBSUTZKVVMBY-QFIPXVFZSA-N 0 0 471.587 2.813 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c(Cc3cccnc3)nnc2N(C)CCN2CCOCC2)cc1 ZINC001289761977 1061384469 /nfs/dbraw/zinc/38/44/69/1061384469.db2.gz DHPWUVCUIQDRLK-OAQYLSRUSA-N 0 0 450.587 2.808 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC001289763687 1061385379 /nfs/dbraw/zinc/38/53/79/1061385379.db2.gz NUZYPZDAFRPSPU-SOLBZPMBSA-N 0 0 488.532 2.724 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)C(C)C)CC1 ZINC001286898262 1061385446 /nfs/dbraw/zinc/38/54/46/1061385446.db2.gz WOFXYHFJJKSFJJ-UHFFFAOYSA-N 0 0 497.644 2.803 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC001289763782 1061385440 /nfs/dbraw/zinc/38/54/40/1061385440.db2.gz OSWCSFMXGGTJOQ-QFIPXVFZSA-N 0 0 468.646 2.997 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCCN(C(C)=O)CC2)cc1 ZINC001286898320 1061385758 /nfs/dbraw/zinc/38/57/58/1061385758.db2.gz XMMDMXMPVHGNQH-UHFFFAOYSA-N 0 0 467.599 2.699 20 0 JFADRN COCC[C@H]1CCN(C(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc21 ZINC001289765900 1061386858 /nfs/dbraw/zinc/38/68/58/1061386858.db2.gz JTMVGECCVYRHCW-KOSHJBKYSA-N 0 0 458.580 2.998 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(-c3ccccc3F)nnc2N2CCC(CC(N)=O)CC2)cn1 ZINC001286898684 1061386890 /nfs/dbraw/zinc/38/68/90/1061386890.db2.gz VBDMPWVCOSBNMA-UHFFFAOYSA-N 0 0 451.506 2.578 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCSCC2)c1 ZINC001289766432 1061387309 /nfs/dbraw/zinc/38/73/09/1061387309.db2.gz IRMFFMUPPWPPCP-AWEZNQCLSA-N 0 0 458.556 2.692 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)cc1 ZINC001286898966 1061387733 /nfs/dbraw/zinc/38/77/33/1061387733.db2.gz ZMMSRGGPTVGHCY-UHFFFAOYSA-N 0 0 478.601 2.769 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](CC(N)=O)C2)cn1 ZINC001286899182 1061387759 /nfs/dbraw/zinc/38/77/59/1061387759.db2.gz MMMJHQCYTNKYRZ-LRXVAGHRSA-N 0 0 483.617 2.690 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)c2nccs2)c1 ZINC001286899299 1061388128 /nfs/dbraw/zinc/38/81/28/1061388128.db2.gz QQCYHZHABWKQLY-RDTXWAMCSA-N 0 0 453.572 2.932 20 0 JFADRN Cc1ccc(OC2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCNC(=O)C(C)(C)C)CC2)cc1 ZINC001289767387 1061388256 /nfs/dbraw/zinc/38/82/56/1061388256.db2.gz AMKRXSNSJQZSEP-HXUWFJFHSA-N 0 0 468.602 2.748 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C)ccc2OC(F)F)n1 ZINC001289768141 1061388753 /nfs/dbraw/zinc/38/87/53/1061388753.db2.gz HFWCDGXLVQYDQO-GOSISDBHSA-N 0 0 494.568 2.721 20 0 JFADRN Cc1ccc(OC2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCS(=O)(=O)C(C)(C)C)CC2)cc1 ZINC001289768827 1061389074 /nfs/dbraw/zinc/38/90/74/1061389074.db2.gz LMSAZUMWUYQJEE-FQEVSTJZSA-N 0 0 489.642 2.799 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)c1 ZINC001286899489 1061389136 /nfs/dbraw/zinc/38/91/36/1061389136.db2.gz UQLCYFPAMSOKHB-PZJWPPBQSA-N 0 0 468.602 2.920 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCOC3)nnc2N(C)CCN2CCOCC2)c1 ZINC001289768841 1061389485 /nfs/dbraw/zinc/38/94/85/1061389485.db2.gz UWASAPXNRGZBDF-QGZVFWFLSA-N 0 0 451.518 2.509 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(-c3cccnc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC001286899528 1061389541 /nfs/dbraw/zinc/38/95/41/1061389541.db2.gz VMAUPDZOEUWUNJ-SFHVURJKSA-N 0 0 487.486 2.852 20 0 JFADRN Cc1ccc(OC2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3NC(=O)CC3(C)C)CC2)cc1 ZINC001289768879 1061389546 /nfs/dbraw/zinc/38/95/46/1061389546.db2.gz MHTXGTFWOLFUKR-HXUWFJFHSA-N 0 0 468.602 2.687 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C)[C@@H](O)C2)cn1 ZINC001286899665 1061389832 /nfs/dbraw/zinc/38/98/32/1061389832.db2.gz RQSUJVHHAVSNNT-XCLNPWKQSA-N 0 0 499.616 2.658 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)cn1 ZINC001286899697 1061389936 /nfs/dbraw/zinc/38/99/36/1061389936.db2.gz SCKSSQKHECDUAM-QZNHQXDQSA-N 0 0 497.644 2.903 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2Cc2cc(C)ccc2OC(F)F)n1 ZINC001289769153 1061390073 /nfs/dbraw/zinc/39/00/73/1061390073.db2.gz NTNKMQXSYZOECL-HSZRJFAPSA-N 0 0 473.528 2.800 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@H]2CCCO2)cc1C ZINC001289769130 1061390096 /nfs/dbraw/zinc/39/00/96/1061390096.db2.gz NGESSACDBFVZDM-WSTZPKSXSA-N 0 0 450.605 2.911 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(N3CCS[C@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)cn1 ZINC001286899763 1061390354 /nfs/dbraw/zinc/39/03/54/1061390354.db2.gz UOVXJHVVGUWDAP-ZHRRBRCNSA-N 0 0 460.604 2.662 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(N3CCS[C@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)cn1 ZINC001286899762 1061390388 /nfs/dbraw/zinc/39/03/88/1061390388.db2.gz UOVXJHVVGUWDAP-OPAMFIHVSA-N 0 0 460.604 2.662 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@H]2CCn3ccnc3C2)cc1 ZINC001289769431 1061390491 /nfs/dbraw/zinc/39/04/91/1061390491.db2.gz PTACKBVQBVPQKN-HSALFYBXSA-N 0 0 486.642 2.882 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC001289769341 1061390561 /nfs/dbraw/zinc/39/05/61/1061390561.db2.gz YHMYVRVMQFGDHS-OWCLPIDISA-N 0 0 472.558 2.998 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(N(C)[C@@H]3CCSC3)nnc2[C@]2(OC(C)C)CCOC2)cn1 ZINC001286899873 1061390817 /nfs/dbraw/zinc/39/08/17/1061390817.db2.gz XRWZYUQYLHVUKS-GCJKJVERSA-N 0 0 460.604 2.662 20 0 JFADRN Cc1ccc(OC2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C)n(C)c3=O)CC2)cc1 ZINC001289769717 1061391158 /nfs/dbraw/zinc/39/11/58/1061391158.db2.gz SOFZOHZMRZBLPT-UHFFFAOYSA-N 0 0 478.597 2.828 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@@](C)(O)C(C)C)cc1 ZINC001289769920 1061391559 /nfs/dbraw/zinc/39/15/59/1061391559.db2.gz YGTMQDIKOLCPSD-JBYIUTFZSA-N 0 0 452.621 2.830 20 0 JFADRN CC(C)NS(=O)(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)ccc1F ZINC001289770878 1061392024 /nfs/dbraw/zinc/39/20/24/1061392024.db2.gz KKMBODQPRSSBRF-QGZVFWFLSA-N 0 0 455.552 2.642 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001289769950 1061392188 /nfs/dbraw/zinc/39/21/88/1061392188.db2.gz ZHLOIYJJRIRQLM-PVQQOCSKSA-N 0 0 484.688 2.971 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N(C)c2ccccc2)CC1 ZINC001286900452 1061392387 /nfs/dbraw/zinc/39/23/87/1061392387.db2.gz HFBMZRNDVKGVLQ-VRVYILLGSA-N 0 0 467.618 2.638 20 0 JFADRN CC(=O)Nc1ccc(N2C[C@H](C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC34CC4)CC2=O)cc1 ZINC001289771732 1061392515 /nfs/dbraw/zinc/39/25/15/1061392515.db2.gz YQPKIGJIHZAUAR-VQIMIIECSA-N 0 0 456.543 2.514 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 ZINC001286900734 1061392809 /nfs/dbraw/zinc/39/28/09/1061392809.db2.gz KAFOTRSGLRACFN-AXSXPWBOSA-N 0 0 489.020 2.674 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2C[C@@H]2C[C@@H]2C)cc1C ZINC001289772503 1061393618 /nfs/dbraw/zinc/39/36/18/1061393618.db2.gz IIDCOXIWUSJFQE-OALUTQOASA-N 0 0 461.632 2.990 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2C[C@@H]2C[C@H]2C)cc1C ZINC001289772502 1061393657 /nfs/dbraw/zinc/39/36/57/1061393657.db2.gz IIDCOXIWUSJFQE-MOPGFXCFSA-N 0 0 461.632 2.990 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccccc2Cl)CC1 ZINC001286901330 1061394155 /nfs/dbraw/zinc/39/41/55/1061394155.db2.gz QIEDGSARXHGINE-FAFZWHIHSA-N 0 0 474.993 2.845 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3ccc[nH]3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 ZINC001286901369 1061394568 /nfs/dbraw/zinc/39/45/68/1061394568.db2.gz SBKYCJGYVCDZER-UHFFFAOYSA-N 0 0 484.626 2.750 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H]2CCOC2)CC1 ZINC001286901669 1061395224 /nfs/dbraw/zinc/39/52/24/1061395224.db2.gz GDBZIAXIADBBFJ-PELRDEGISA-N 0 0 489.642 2.659 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC[S@](=O)C(C)(C)C)cc1C ZINC001289773974 1061395468 /nfs/dbraw/zinc/39/54/68/1061395468.db2.gz OTIVJGHPYIUJST-DRKIFQHWSA-N 0 0 484.688 2.890 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@@H]2C(C)C)cc1 ZINC001289773885 1061395581 /nfs/dbraw/zinc/39/55/81/1061395581.db2.gz GTUVOGBXPQACEE-NNMXDRDESA-N 0 0 462.616 2.850 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccsc2)cc1 ZINC001289773741 1061395633 /nfs/dbraw/zinc/39/56/33/1061395633.db2.gz FNJGRVIZYJHDDU-PGRDOPGGSA-N 0 0 476.624 2.758 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2CCOc2cc(C)cc(C)c2)CC1 ZINC001286901981 1061396076 /nfs/dbraw/zinc/39/60/76/1061396076.db2.gz ZEBZPKBMGYAZFN-QETWGEEDSA-N 0 0 468.602 2.809 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCC(=O)N(C)C)CC1 ZINC001286902263 1061396427 /nfs/dbraw/zinc/39/64/27/1061396427.db2.gz MHWAPVLCDDFVGK-UHFFFAOYSA-N 0 0 478.601 2.697 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC(F)(F)c2ccccc2)CC1 ZINC001286902250 1061396488 /nfs/dbraw/zinc/39/64/88/1061396488.db2.gz MABMTXBWHUFCMS-MNNVXMFVSA-N 0 0 498.600 2.564 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H]2CC23CCOCC3)cc1 ZINC001289775115 1061397071 /nfs/dbraw/zinc/39/70/71/1061397071.db2.gz TUUVVBZBRACQGW-MOPGFXCFSA-N 0 0 462.616 2.852 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CCc2cccnc2)cc1C ZINC001289774660 1061397184 /nfs/dbraw/zinc/39/71/84/1061397184.db2.gz SUOYWCCLCWJPPC-LJQANCHMSA-N 0 0 457.600 2.981 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(Br)cc3)n2Cc2ncn(C)n2)CC1 ZINC001286902340 1061397370 /nfs/dbraw/zinc/39/73/70/1061397370.db2.gz PBXGRKXQQCSPSW-UHFFFAOYSA-N 0 0 487.406 2.768 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2CCC2(O)CCOCC2)CC1 ZINC001286902418 1061397457 /nfs/dbraw/zinc/39/74/57/1061397457.db2.gz ABGYVYZBNNEYOX-UHFFFAOYSA-N 0 0 473.593 2.823 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)C)n2CC2([S@@](C)=O)CCC2)cc1C ZINC001289775908 1061398883 /nfs/dbraw/zinc/39/88/83/1061398883.db2.gz UKSJIDHOGCONSQ-JGCGQSQUSA-N 0 0 461.632 2.736 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)C)n2CC2([S@](C)=O)CCC2)cc1C ZINC001289775915 1061399056 /nfs/dbraw/zinc/39/90/56/1061399056.db2.gz UKSJIDHOGCONSQ-YTTGMZPUSA-N 0 0 461.632 2.736 20 0 JFADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(N4C(=O)CCC4=O)c3)C2)cc1 ZINC001289777300 1061401110 /nfs/dbraw/zinc/40/11/10/1061401110.db2.gz CPVZNJGGPPNBTC-QGZVFWFLSA-N 0 0 455.536 2.688 20 0 JFADRN COc1ccc(C(=O)Nc2cccc(N3C(=O)CCC3=O)c2)cc1S(=O)(=O)NC(C)(C)C 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CC(=O)NC[C@@H]1CN(c2nnc(C3CCCC3)n2C[C@](C)(O)c2cccc(Cl)c2)CCO1 ZINC001286943427 1061601849 /nfs/dbraw/zinc/60/18/49/1061601849.db2.gz PWBOLUYSMOOXQD-OFNKIYASSA-N 0 0 461.994 2.838 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(Cc3ccsc3)n2CCCOc2ccccc2)CCO1 ZINC001286943518 1061601862 /nfs/dbraw/zinc/60/18/62/1061601862.db2.gz ASYYQJBXKURMRK-NRFANRHFSA-N 0 0 455.584 2.741 20 0 JFADRN CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001294121500 1061602149 /nfs/dbraw/zinc/60/21/49/1061602149.db2.gz MJEDOZOXZWJTLG-DLBZAZTESA-N 0 0 484.692 2.995 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H]2CC(=O)N(c3ccccc3)C2)n1 ZINC001289912596 1061604783 /nfs/dbraw/zinc/60/47/83/1061604783.db2.gz ISDSBIYWMDKHPP-IBGZPJMESA-N 0 0 461.570 2.662 20 0 JFADRN O=C(CNC(=O)c1ccc(F)cc1F)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC001294122971 1061605583 /nfs/dbraw/zinc/60/55/83/1061605583.db2.gz CWFQLFLVSWPVEG-UHFFFAOYSA-N 0 0 459.474 2.812 20 0 JFADRN COc1cc(CN2CCN(C(=O)c3cc(-n4ccnc4)ccc3O)CC2)cc(OC)c1OC ZINC001294122956 1061605647 /nfs/dbraw/zinc/60/56/47/1061605647.db2.gz CQRRMMHBUZUQSE-UHFFFAOYSA-N 0 0 452.511 2.562 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC(=O)Nc2ccc(F)cc2)n1 ZINC001289913723 1061605834 /nfs/dbraw/zinc/60/58/34/1061605834.db2.gz XOTRIGLWFDOXBM-UHFFFAOYSA-N 0 0 453.522 2.777 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2Cc2ccc(C(N)=O)nc2)n1 ZINC001289912907 1061605891 /nfs/dbraw/zinc/60/58/91/1061605891.db2.gz PAMGTACYFZAOQR-UHFFFAOYSA-N 0 0 490.955 2.919 20 0 JFADRN Cc1c(CN(C)c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)Cc2ccccc2)cnn1C ZINC001289915030 1061606951 /nfs/dbraw/zinc/60/69/51/1061606951.db2.gz BTDJNRYMOKJHTB-UHFFFAOYSA-N 0 0 479.610 2.942 20 0 JFADRN CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001294124663 1061607833 /nfs/dbraw/zinc/60/78/33/1061607833.db2.gz MUUIPLBHGHOGLJ-HXUWFJFHSA-N 0 0 457.575 2.980 20 0 JFADRN Cc1noc(C)c1CN(C)c1nnc(-c2cccc(C)n2)n1CCNS(=O)(=O)c1ccccc1 ZINC001289915666 1061608099 /nfs/dbraw/zinc/60/80/99/1061608099.db2.gz OZONXBXSCOZJGS-UHFFFAOYSA-N 0 0 481.582 2.868 20 0 JFADRN CCN(C(=O)c1cccc(S(=O)(=O)N(C)OC)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001289916711 1061608887 /nfs/dbraw/zinc/60/88/87/1061608887.db2.gz DOIGGSCYJKRBBH-KRWDZBQOSA-N 0 0 455.577 2.730 20 0 JFADRN Cc1cccc(-c2nnc(N(C)Cc3ccc(F)cc3F)n2CCOCCS(C)(=O)=O)n1 ZINC001289916779 1061608986 /nfs/dbraw/zinc/60/89/86/1061608986.db2.gz FUPFVNVQKNROAY-UHFFFAOYSA-N 0 0 465.526 2.624 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(-c3ccccn3)n2CCCCN(C)c2ccccc2)CCO1 ZINC001286944092 1061609313 /nfs/dbraw/zinc/60/93/13/1061609313.db2.gz XKEPZDUDQUKWEA-QFIPXVFZSA-N 0 0 463.586 2.598 20 0 JFADRN C[C@H](C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC001294126835 1061610115 /nfs/dbraw/zinc/61/01/15/1061610115.db2.gz JZMZSUGTCOLLRN-NEPJUHHUSA-N 0 0 451.317 2.624 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCOC[C@@H]2C)CCO1 ZINC001286944123 1061610598 /nfs/dbraw/zinc/61/05/98/1061610598.db2.gz XPCPMUSBSRSLJN-RYQLBKOJSA-N 0 0 492.418 2.722 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCCC(C)(C)C)CCO1 ZINC001286944368 1061611404 /nfs/dbraw/zinc/61/14/04/1061611404.db2.gz HDUMVZICFGGVGP-FQEVSTJZSA-N 0 0 453.591 2.684 20 0 JFADRN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)c2ccc(F)cc2)c1 ZINC001294131062 1061612096 /nfs/dbraw/zinc/61/20/96/1061612096.db2.gz RIPSCMXBZICEOR-QFIPXVFZSA-N 0 0 456.495 2.613 20 0 JFADRN Cn1ncc(C(=O)N[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c1I ZINC001289918789 1061612787 /nfs/dbraw/zinc/61/27/87/1061612787.db2.gz HZCCRMTVSWAUAY-PXAZEXFGSA-N 0 0 460.316 2.687 20 0 JFADRN CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 ZINC001294132494 1061613037 /nfs/dbraw/zinc/61/30/37/1061613037.db2.gz PZMZBHXQXSQHDD-HXUWFJFHSA-N 0 0 457.604 2.839 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCn2nc(C)cc2C)CCO1 ZINC001286944671 1061614997 /nfs/dbraw/zinc/61/49/97/1061614997.db2.gz FGIWQTXPAYUULU-JOCHJYFZSA-N 0 0 486.020 2.767 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCn2nc(C)cc2C)CCO1 ZINC001286944681 1061615934 /nfs/dbraw/zinc/61/59/34/1061615934.db2.gz FGIWQTXPAYUULU-QFIPXVFZSA-N 0 0 486.020 2.767 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCCS2)CCO1 ZINC001286944791 1061617122 /nfs/dbraw/zinc/61/71/22/1061617122.db2.gz GIKVMNNLOPVZFQ-IAGOWNOFSA-N 0 0 465.570 2.774 20 0 JFADRN CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC001294136062 1061617521 /nfs/dbraw/zinc/61/75/21/1061617521.db2.gz CEUNGMSEIKOTGL-MRXNPFEDSA-N 0 0 481.569 2.611 20 0 JFADRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC001294135666 1061617584 /nfs/dbraw/zinc/61/75/84/1061617584.db2.gz FXFQRNSAHVBPKQ-FZKQIMNGSA-N 0 0 452.429 2.929 20 0 JFADRN Cc1cccc(-c2nnc(N(C)C[C@H]3CCOC3)n2Cc2cccc(OCC(=O)N(C)C)c2)n1 ZINC001289924291 1061617716 /nfs/dbraw/zinc/61/77/16/1061617716.db2.gz KNEHTMMLUAXTKO-HXUWFJFHSA-N 0 0 464.570 2.637 20 0 JFADRN CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001294136122 1061618524 /nfs/dbraw/zinc/61/85/24/1061618524.db2.gz DANZXIDLSMAVPP-HXUWFJFHSA-N 0 0 488.637 2.837 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCCc3ccccc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC001289928608 1061618515 /nfs/dbraw/zinc/61/85/15/1061618515.db2.gz IKYUHLAHIIAOOZ-NRFANRHFSA-N 0 0 468.627 2.999 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCOc3ccc(F)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC001289930538 1061619928 /nfs/dbraw/zinc/61/99/28/1061619928.db2.gz BHTUWTPLOMZRAA-SFHVURJKSA-N 0 0 488.589 2.584 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CC(F)(F)C2)CCO1 ZINC001286945108 1061620379 /nfs/dbraw/zinc/62/03/79/1061620379.db2.gz GBRRVQAYVMZDNM-KZNAEPCWSA-N 0 0 455.550 2.583 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(C3CCCC3)n2Cc2ccc(OC(C)(C)C)nc2)CCO1 ZINC001286945213 1061620397 /nfs/dbraw/zinc/62/03/97/1061620397.db2.gz WETHYYGTYOMCGT-FQEVSTJZSA-N 0 0 456.591 2.898 20 0 JFADRN CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(C)cc2C1 ZINC001294137223 1061621840 /nfs/dbraw/zinc/62/18/40/1061621840.db2.gz KHAKZRJTUKBDHN-NRFANRHFSA-N 0 0 477.631 2.681 20 0 JFADRN CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC001294137600 1061622850 /nfs/dbraw/zinc/62/28/50/1061622850.db2.gz NKRDXYJGQCEXBG-OTWHNJEPSA-N 0 0 469.652 2.585 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCN3C(=O)c4ccccc4C3=O)n2CCC(=O)NC(C)(C)C)n1 ZINC001289931615 1061623318 /nfs/dbraw/zinc/62/33/18/1061623318.db2.gz KUVGXXCDOJQISP-UHFFFAOYSA-N 0 0 489.580 2.686 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCNS(C)(=O)=O)n2CCc2ccc(F)cc2Cl)n1 ZINC001289931670 1061623345 /nfs/dbraw/zinc/62/33/45/1061623345.db2.gz MWYHVOWXDQTZLW-UHFFFAOYSA-N 0 0 466.970 2.669 20 0 JFADRN CC(=O)NCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001286945349 1061623647 /nfs/dbraw/zinc/62/36/47/1061623647.db2.gz HFYSIJHBVVFMLB-QFBILLFUSA-N 0 0 477.009 2.902 20 0 JFADRN CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 ZINC001294138496 1061623789 /nfs/dbraw/zinc/62/37/89/1061623789.db2.gz RZFBWNAQNSEKDE-IBGZPJMESA-N 0 0 453.653 2.845 20 0 JFADRN CC(=O)NCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001286945479 1061624932 /nfs/dbraw/zinc/62/49/32/1061624932.db2.gz IRXIOBNFEVQKEY-BEFAXECRSA-N 0 0 462.982 2.703 20 0 JFADRN CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)c2ccccc2)CC1 ZINC001294139467 1061625259 /nfs/dbraw/zinc/62/52/59/1061625259.db2.gz VNWONDNMDPYOML-QFIPXVFZSA-N 0 0 490.674 2.906 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(C)CCC2)CCO1 ZINC001286945607 1061625925 /nfs/dbraw/zinc/62/59/25/1061625925.db2.gz HWKXJSKZHLKCAH-OALUTQOASA-N 0 0 476.622 2.882 20 0 JFADRN CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001294139634 1061626133 /nfs/dbraw/zinc/62/61/33/1061626133.db2.gz RNBWTBSFXDKATJ-SFHVURJKSA-N 0 0 484.667 2.664 20 0 JFADRN CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001294140233 1061627458 /nfs/dbraw/zinc/62/74/58/1061627458.db2.gz ZOONUJOCVKIKTF-AZUAARDMSA-N 0 0 496.703 2.746 20 0 JFADRN Cc1cccc(-c2nnc(N(CCO)CCOCC(F)(F)F)n2C[C@]2(O)CCC[C@@H]2C)n1 ZINC001289937599 1061628022 /nfs/dbraw/zinc/62/80/22/1061628022.db2.gz BFJCMXRSFIHZRY-MGPUTAFESA-N 0 0 457.497 2.577 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2Cc2cccs2)CCO1 ZINC001286945981 1061630082 /nfs/dbraw/zinc/63/00/82/1061630082.db2.gz ODDGSUOJOYYNFK-IBGZPJMESA-N 0 0 455.584 2.925 20 0 JFADRN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCC[C@@H]2C(N)=O)c1 ZINC001294144769 1061630271 /nfs/dbraw/zinc/63/02/71/1061630271.db2.gz GLAJOGIDWBBHDS-LIVBEALHSA-N 0 0 459.543 2.740 20 0 JFADRN Cc1cccc(-c2nnc(N3C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(O)CCOCC2)n1 ZINC001289940254 1061630969 /nfs/dbraw/zinc/63/09/69/1061630969.db2.gz MQTLJGAITLLYIG-APWZRJJASA-N 0 0 472.590 2.539 20 0 JFADRN Cc1cccc(-c2nnc(N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC2(O)CCOCC2)n1 ZINC001289940264 1061630994 /nfs/dbraw/zinc/63/09/94/1061630994.db2.gz MQTLJGAITLLYIG-VQIMIIECSA-N 0 0 472.590 2.539 20 0 JFADRN CC(=O)NCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001286946166 1061632068 /nfs/dbraw/zinc/63/20/68/1061632068.db2.gz MCTJWBFVLUYOMS-AOMKIAJQSA-N 0 0 496.033 2.613 20 0 JFADRN Cc1cccc(-c2nnc(N3CC(=O)N[C@@H]4CCCC[C@H]43)n2CC(F)(F)Br)n1 ZINC001289942710 1061634882 /nfs/dbraw/zinc/63/48/82/1061634882.db2.gz VIOQAKROXJWWGL-TZMCWYRMSA-N 0 0 455.307 2.884 20 0 JFADRN Cc1cccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CC[C@H]2COCCO2)n1 ZINC001289942784 1061634938 /nfs/dbraw/zinc/63/49/38/1061634938.db2.gz VPHSAJXZKUFZTA-FQEVSTJZSA-N 0 0 456.591 2.537 20 0 JFADRN Cc1cccc(-c2nnc(N3CCC(C(=O)N4CCOCC4)CC3)n2CCOC(C)(C)C)n1 ZINC001289947418 1061637113 /nfs/dbraw/zinc/63/71/13/1061637113.db2.gz GXGMSNOSOPSQGK-UHFFFAOYSA-N 0 0 456.591 2.539 20 0 JFADRN Cc1c(Cn2c(-c3cccc(C)n3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)cnn1C ZINC001289947583 1061637148 /nfs/dbraw/zinc/63/71/48/1061637148.db2.gz IGWKXPLLHIURSO-UHFFFAOYSA-N 0 0 476.507 2.634 20 0 JFADRN CC(=O)NCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC001286946862 1061637462 /nfs/dbraw/zinc/63/74/62/1061637462.db2.gz RUXDAIMOHLHSIT-FPOVZHCZSA-N 0 0 499.591 2.802 20 0 JFADRN CCc1nsc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)CC2)n1 ZINC001294154460 1061637434 /nfs/dbraw/zinc/63/74/34/1061637434.db2.gz BUDUNIRTHSMSJS-UHFFFAOYSA-N 0 0 457.581 2.864 20 0 JFADRN CC(=O)NCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC001286946863 1061637573 /nfs/dbraw/zinc/63/75/73/1061637573.db2.gz RUXDAIMOHLHSIT-PZJWPPBQSA-N 0 0 499.591 2.802 20 0 JFADRN Cc1cccc(-c2nnc(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CC(=O)NC(C)C)n1 ZINC001289947646 1061638083 /nfs/dbraw/zinc/63/80/83/1061638083.db2.gz JPGNZEQNXDZFPM-QZTJIDSGSA-N 0 0 471.606 2.913 20 0 JFADRN O=C(CCc1nc(-c2cc(Br)cs2)no1)N1CCC[C@H]1CN1CCOCC1 ZINC001294155986 1061640083 /nfs/dbraw/zinc/64/00/83/1061640083.db2.gz JNMYSADBFRPAET-AWEZNQCLSA-N 0 0 455.378 2.816 20 0 JFADRN Cc1cccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2C[C@@H]2NC(=O)CC2(C)C)n1 ZINC001289948097 1061640347 /nfs/dbraw/zinc/64/03/47/1061640347.db2.gz SEYSHSIOKZOUBY-RXVVDRJESA-N 0 0 481.645 2.940 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CCCc2nccs2)CCO1 ZINC001286946961 1061640896 /nfs/dbraw/zinc/64/08/96/1061640896.db2.gz RUEVAJHWIYGOTF-OAQYLSRUSA-N 0 0 484.626 2.905 20 0 JFADRN Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2CCNC(=O)c2ccccc2F)n1 ZINC001289950273 1061642616 /nfs/dbraw/zinc/64/26/16/1061642616.db2.gz ARTMNEUYBIKSQB-UHFFFAOYSA-N 0 0 479.560 2.700 20 0 JFADRN Cc1cccc(-c2nnc(N3CCC(CCCO)CC3)n2C[C@H](N2CCOCC2)C(F)(F)F)n1 ZINC001289950300 1061642667 /nfs/dbraw/zinc/64/26/67/1061642667.db2.gz BMDNUPXQLHTHPR-FQEVSTJZSA-N 0 0 482.551 2.901 20 0 JFADRN 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CC(=O)NC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(Cl)cc2)CCO1 ZINC001286947451 1061646683 /nfs/dbraw/zinc/64/66/83/1061646683.db2.gz VRKOJEDZUYJRDJ-LJQANCHMSA-N 0 0 460.991 2.677 20 0 JFADRN CC(=O)NCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 ZINC001286947466 1061646776 /nfs/dbraw/zinc/64/67/76/1061646776.db2.gz YEWGYYGNIDWAHW-KUHUBIRLSA-N 0 0 489.964 2.867 20 0 JFADRN CCCCCn1cc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@](C)(C(N)=O)C2)c(C)n1 ZINC001294162271 1061647503 /nfs/dbraw/zinc/64/75/03/1061647503.db2.gz GQZQAKLTKHHSFC-DEOSSOPVSA-N 0 0 467.622 2.585 20 0 JFADRN CCCCCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H]2CCSC2)c(C)n1 ZINC001294162266 1061647550 /nfs/dbraw/zinc/64/75/50/1061647550.db2.gz GPMOBFYSAZBZQC-HKUYNNGSSA-N 0 0 466.677 2.865 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCO[C@H]2C(C)C)CCO1 ZINC001286947665 1061649754 /nfs/dbraw/zinc/64/97/54/1061649754.db2.gz RGMIHKNZZISTBD-ROKPMTFOSA-N 0 0 489.592 2.789 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCO[C@@H](C)C2)CCO1 ZINC001286947869 1061650789 /nfs/dbraw/zinc/65/07/89/1061650789.db2.gz XGUWMJHXVBSULA-IEIRFRATSA-N 0 0 471.602 2.630 20 0 JFADRN CCCCCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCOC2)CC1 ZINC001294163645 1061651798 /nfs/dbraw/zinc/65/17/98/1061651798.db2.gz CIQOKEGXVPFRAA-VWLOTQADSA-N 0 0 473.593 2.682 20 0 JFADRN CCCCCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCC(=O)N2)CC1 ZINC001294164367 1061652803 /nfs/dbraw/zinc/65/28/03/1061652803.db2.gz LEESGMWFVPYDOK-HXUWFJFHSA-N 0 0 470.593 2.809 20 0 JFADRN CCCCCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCC(OC)CC2)CC1 ZINC001294164512 1061655130 /nfs/dbraw/zinc/65/51/30/1061655130.db2.gz CHNQRXJYTOARFT-MNLRITNHSA-N 0 0 474.650 2.957 20 0 JFADRN CCCCCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001294164760 1061655163 /nfs/dbraw/zinc/65/51/63/1061655163.db2.gz OBQXZCSJZZFOTG-UHFFFAOYSA-N 0 0 465.664 2.578 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(CC(C)C)n2Cc2ccc(NC(=O)c3ccco3)cc2)CCO1 ZINC001286948414 1061657321 /nfs/dbraw/zinc/65/73/21/1061657321.db2.gz RQGXHZZJQWXRCO-OAQYLSRUSA-N 0 0 480.569 2.712 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc([C@H](C)O)cc2)CCO1 ZINC001286948481 1061658694 /nfs/dbraw/zinc/65/86/94/1061658694.db2.gz XSSVFSGGYRRIIJ-AIZKBTNYSA-N 0 0 485.629 2.640 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCO[C@@H]2CCCC[C@@H]2C)CCO1 ZINC001286948464 1061658746 /nfs/dbraw/zinc/65/87/46/1061658746.db2.gz XKDPUYGTHAFUBY-CZTZKLFOSA-N 0 0 489.592 2.933 20 0 JFADRN CCCCCNC(=O)C1CCN(c2nnc(C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001294166406 1061659165 /nfs/dbraw/zinc/65/91/65/1061659165.db2.gz DOYXLSYYKJNWFJ-LJQANCHMSA-N 0 0 474.572 2.763 20 0 JFADRN Cc1cccc(-c2nnc(N3CCc4c(F)ccc(F)c4C3)n2CCOCCS(C)(=O)=O)n1 ZINC001289959038 1061659700 /nfs/dbraw/zinc/65/97/00/1061659700.db2.gz BPBNJEWBDKKGOL-UHFFFAOYSA-N 0 0 477.537 2.551 20 0 JFADRN CC(=O)NCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001286948520 1061659649 /nfs/dbraw/zinc/65/96/49/1061659649.db2.gz YQNDTVHTFRXXHB-HXUWFJFHSA-N 0 0 456.591 2.925 20 0 JFADRN CCCCN(C)C(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001294165845 1061660212 /nfs/dbraw/zinc/66/02/12/1061660212.db2.gz YKJYGMCKEMKOOY-RTWAWAEBSA-N 0 0 476.666 2.952 20 0 JFADRN CCCCCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@]2(C)COCCO2)CC1 ZINC001294165880 1061661227 /nfs/dbraw/zinc/66/12/27/1061661227.db2.gz LAXDJPHDZWKZGZ-YKSBVNFPSA-N 0 0 463.623 2.848 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H](c2c(F)cccc2F)N(C)C)CCO1 ZINC001286948684 1061661636 /nfs/dbraw/zinc/66/16/36/1061661636.db2.gz USVJTPUGJNEVAL-YLJYHZDGSA-N 0 0 478.588 2.789 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H](c2c(F)cccc2F)N(C)C)CCO1 ZINC001286948681 1061661671 /nfs/dbraw/zinc/66/16/71/1061661671.db2.gz USVJTPUGJNEVAL-FXAWDEMLSA-N 0 0 478.588 2.789 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C)nc2)CCO1 ZINC001286948711 1061662736 /nfs/dbraw/zinc/66/27/36/1061662736.db2.gz VIXDUGRGEMZBGE-NRFANRHFSA-N 0 0 454.962 2.615 20 0 JFADRN CCCCCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)N(C)C2CCCCC2)CC1 ZINC001294167354 1061664407 /nfs/dbraw/zinc/66/44/07/1061664407.db2.gz WPQYDNYWAKSLRC-UHFFFAOYSA-N 0 0 498.676 2.993 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(CC(C)C)n2Cc2ccc(COCC(F)(F)F)cc2)CCO1 ZINC001286948850 1061664831 /nfs/dbraw/zinc/66/48/31/1061664831.db2.gz YFCIGEKAVNCOFI-HXUWFJFHSA-N 0 0 483.535 2.945 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@](C)(O)C2CCCCC2)CCO1 ZINC001286948827 1061664864 /nfs/dbraw/zinc/66/48/64/1061664864.db2.gz XURKMZMGVWIHSW-PXDATVDWSA-N 0 0 473.593 2.681 20 0 JFADRN O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC001294167543 1061665417 /nfs/dbraw/zinc/66/54/17/1061665417.db2.gz UNBXWPXHVOTSDC-FQEVSTJZSA-N 0 0 455.561 2.540 20 0 JFADRN 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ZINC001286955641 1061710695 /nfs/dbraw/zinc/71/06/95/1061710695.db2.gz QOSQHDTXOMILJJ-UHFFFAOYSA-N 0 0 493.008 2.951 20 0 JFADRN Cc1ncc(CN2CCN(c3nnc(-c4cccc(C)n4)n3CCNC(=O)C(C)(C)C)CC2)s1 ZINC001289985643 1061711166 /nfs/dbraw/zinc/71/11/66/1061711166.db2.gz PGQOVOHAHNYTEY-UHFFFAOYSA-N 0 0 482.658 2.898 20 0 JFADRN CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2cccn2C)n1C[C@@H](C)N1CCOCC1 ZINC001286955867 1061711691 /nfs/dbraw/zinc/71/16/91/1061711691.db2.gz YHWOCCPECGATNX-GOSISDBHSA-N 0 0 485.658 2.517 20 0 JFADRN Cc1nc2n(n1)CCN(c1nnc(-c3cccc(C)n3)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)C2 ZINC001289986129 1061711712 /nfs/dbraw/zinc/71/17/12/1061711712.db2.gz WAOKARPVUJBTOB-INIZCTEOSA-N 0 0 467.578 2.824 20 0 JFADRN Cc1nc2n(n1)CCN(c1nnc(-c3cccc(C)n3)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)C2 ZINC001289986135 1061711881 /nfs/dbraw/zinc/71/18/81/1061711881.db2.gz WAOKARPVUJBTOB-MRXNPFEDSA-N 0 0 467.578 2.824 20 0 JFADRN CC(=O)NCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001286956095 1061712907 /nfs/dbraw/zinc/71/29/07/1061712907.db2.gz XXKFJQSMZVLHDC-FQEVSTJZSA-N 0 0 488.637 2.863 20 0 JFADRN CCCCN(C)S(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)NC2CCC(C)CC2)cc1 ZINC001289989085 1061713557 /nfs/dbraw/zinc/71/35/57/1061713557.db2.gz BDZMPOYNGCDWLM-UHFFFAOYSA-N 0 0 459.634 2.544 20 0 JFADRN Cc1cccc(-c2nnc(N3CCOC(C)(C)C3)n2CCNC(=O)Cc2cccc(F)c2)n1 ZINC001289989106 1061713575 /nfs/dbraw/zinc/71/35/75/1061713575.db2.gz RPHAXPSQGPPZPM-UHFFFAOYSA-N 0 0 452.534 2.762 20 0 JFADRN Cc1cccc(-c2nnc(N3CCOC(C)(C)C3)n2CC[C@H](C(F)F)N2CCOCC2)n1 ZINC001289989603 1061714059 /nfs/dbraw/zinc/71/40/59/1061714059.db2.gz VHHHRBQNHOXSDU-GOSISDBHSA-N 0 0 450.534 2.620 20 0 JFADRN Cc1cccc(-c2nnc(N3CCO[C@@]4(CCOC4)C3)n2CCCCNC(=O)OC(C)(C)C)n1 ZINC001289990614 1061714651 /nfs/dbraw/zinc/71/46/51/1061714651.db2.gz AKEMKZOULDJMMR-DEOSSOPVSA-N 0 0 472.590 2.949 20 0 JFADRN CC(=O)NCCN(Cc1ccsc1)c1nnc(C(=O)NC(C)C)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001286956757 1061715419 /nfs/dbraw/zinc/71/54/19/1061715419.db2.gz ATWBKKZIGPHJNG-IRXDYDNUSA-N 0 0 476.647 2.824 20 0 JFADRN CN(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)cc1 ZINC001294210666 1061715875 /nfs/dbraw/zinc/71/58/75/1061715875.db2.gz MOAXHGIXBQPZEN-SFHVURJKSA-N 0 0 459.344 2.941 20 0 JFADRN CC(=O)NCCN(Cc1ccc(C)s1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1F ZINC001286956807 1061716693 /nfs/dbraw/zinc/71/66/93/1061716693.db2.gz CJFGIYSJTNXYDC-HXUWFJFHSA-N 0 0 470.574 2.929 20 0 JFADRN CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCO1 ZINC001286956771 1061716702 /nfs/dbraw/zinc/71/67/02/1061716702.db2.gz AZWGULQJCWXQLD-FQEVSTJZSA-N 0 0 454.600 2.956 20 0 JFADRN Cc1cc(C)n(C[C@H]2CN(c3nnc(-c4cccc(C)n4)n3CCN(C)CC(F)(F)F)CCO2)n1 ZINC001289991785 1061717433 /nfs/dbraw/zinc/71/74/33/1061717433.db2.gz IJVSJNYPIUXBDT-LJQANCHMSA-N 0 0 492.550 2.861 20 0 JFADRN Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4cccc(C)n4)n3CCN(C)CC(F)(F)F)CCO2)n1 ZINC001289991784 1061717482 /nfs/dbraw/zinc/71/74/82/1061717482.db2.gz IJVSJNYPIUXBDT-IBGZPJMESA-N 0 0 492.550 2.861 20 0 JFADRN CC(=O)NCCCn1c(Cc2csc(C)n2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001286956894 1061717455 /nfs/dbraw/zinc/71/74/55/1061717455.db2.gz XVBMMXNJAYSYOI-UHFFFAOYSA-N 0 0 490.580 2.926 20 0 JFADRN Cc1cccc(-c2nnc(N3CCO[C@H](COc4ccccc4)C3)n2CCNC(=O)C(C)C)n1 ZINC001289992701 1061718130 /nfs/dbraw/zinc/71/81/30/1061718130.db2.gz SPXUQCIUPXZFSM-NRFANRHFSA-N 0 0 464.570 2.705 20 0 JFADRN Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCCc2ccnc(C(C)(C)C)n2)n1 ZINC001289992905 1061718246 /nfs/dbraw/zinc/71/82/46/1061718246.db2.gz VNMBQNZAXNDBLG-UHFFFAOYSA-N 0 0 453.616 2.938 20 0 JFADRN Cc1cccc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@H](N2CCOCC2)C(F)(F)F)n1 ZINC001289993261 1061718823 /nfs/dbraw/zinc/71/88/23/1061718823.db2.gz FSEAWYXBKMHGMM-RDJZCZTQSA-N 0 0 456.538 2.853 20 0 JFADRN Cc1cccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)n1 ZINC001289993713 1061719735 /nfs/dbraw/zinc/71/97/35/1061719735.db2.gz NLHKNBGSXJYUAR-AYOQOUSVSA-N 0 0 468.524 2.509 20 0 JFADRN CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)cc1 ZINC001289997200 1061720380 /nfs/dbraw/zinc/72/03/80/1061720380.db2.gz MXQSYYRWBTYZEC-UHFFFAOYSA-N 0 0 453.318 2.970 20 0 JFADRN Cc1c(C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cnn1-c1cc(C)ccc1C ZINC001294213174 1061720449 /nfs/dbraw/zinc/72/04/49/1061720449.db2.gz VRELHVIXULPQRI-ROUUACIJSA-N 0 0 450.543 2.882 20 0 JFADRN C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3ccnc(Cl)c3Br)cn2)C[C@H](C)O1 ZINC001294213183 1061720889 /nfs/dbraw/zinc/72/08/89/1061720889.db2.gz WANQDDQTLFPJIN-QWRGUYRKSA-N 0 0 456.728 2.582 20 0 JFADRN CC(C)NS(=O)(=O)c1ccc(NC(=O)c2nscc2I)cc1 ZINC001289997397 1061720916 /nfs/dbraw/zinc/72/09/16/1061720916.db2.gz QLHRTWZYSVESNW-UHFFFAOYSA-N 0 0 451.311 2.687 20 0 JFADRN Cc1cccc(CC2(O)CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC3CCCC3)CC2)c1 ZINC001289999817 1061722342 /nfs/dbraw/zinc/72/23/42/1061722342.db2.gz AKWUTLIKLCYYFU-LJQANCHMSA-N 0 0 475.659 2.961 20 0 JFADRN CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cccnc2)n1CCN1CCOCC1(C)C 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/nfs/dbraw/zinc/72/66/47/1061726647.db2.gz DEWMTAXTDIXLLI-NTKDMRAZSA-N 0 0 456.591 2.527 20 0 JFADRN CC(=O)NCCN(Cc1ccsc1)c1nnc(CC2CCCC2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001286958902 1061727182 /nfs/dbraw/zinc/72/71/82/1061727182.db2.gz PZHDKXVUZXDUFD-HXUWFJFHSA-N 0 0 479.672 2.650 20 0 JFADRN CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C1CC1 ZINC001286958926 1061727229 /nfs/dbraw/zinc/72/72/29/1061727229.db2.gz SHJQAAUYUGKMFD-UHFFFAOYSA-N 0 0 459.597 2.888 20 0 JFADRN CC(=O)NCCN(Cc1ccsc1)c1nnc(Cc2ccccc2C)n1C[C@@H]1COCCO1 ZINC001286959006 1061727295 /nfs/dbraw/zinc/72/72/95/1061727295.db2.gz RKIPUZWRVJMDDZ-JOCHJYFZSA-N 0 0 469.611 2.797 20 0 JFADRN CC(=O)NCCN(Cc1ccsc1)c1nnc([C@H]2CCOC2)n1C[C@](C)(O)c1ccsc1 ZINC001286959020 1061727891 /nfs/dbraw/zinc/72/78/91/1061727891.db2.gz ROYGKLUARBHCAW-AVRDEDQJSA-N 0 0 475.640 2.955 20 0 JFADRN CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccccc2C)n1C[C@@]1(O)CCO[C@@H]1C ZINC001286959237 1061728371 /nfs/dbraw/zinc/72/83/71/1061728371.db2.gz VURMIIRBUBMDEP-KOSHJBKYSA-N 0 0 469.611 2.998 20 0 JFADRN Cc1cccc([C@@H]2CCN(c3nnc([C@@H]4CCCCO4)n3CCOCCS(C)(=O)=O)C2)c1 ZINC001290002679 1061728314 /nfs/dbraw/zinc/72/83/14/1061728314.db2.gz UZEVDDCOKRISAZ-RTWAWAEBSA-N 0 0 462.616 2.883 20 0 JFADRN Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)c3ccsc3)CC2)n1 ZINC001290003519 1061729747 /nfs/dbraw/zinc/72/97/47/1061729747.db2.gz QKLNYMCHBZAUKF-UHFFFAOYSA-N 0 0 481.626 2.776 20 0 JFADRN CC(=O)NCCN(Cc1ccsc1)c1nnc(C)n1CCCn1cc(Br)cn1 ZINC001286959736 1061730056 /nfs/dbraw/zinc/73/00/56/1061730056.db2.gz ZXWMYSSZOWTJEU-UHFFFAOYSA-N 0 0 466.409 2.840 20 0 JFADRN CC(=O)NCCN(Cc1ccsc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCS1(=O)=O ZINC001286959739 1061730670 /nfs/dbraw/zinc/73/06/70/1061730670.db2.gz YBCQMNQYIKIASL-UXHICEINSA-N 0 0 495.671 2.691 20 0 JFADRN Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](c3ccco3)C2)n1 ZINC001290004090 1061730538 /nfs/dbraw/zinc/73/05/38/1061730538.db2.gz XSSRFZNTGPASLE-ZWKOTPCHSA-N 0 0 458.588 2.811 20 0 JFADRN O=C(COc1cccc(I)c1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC001290006888 1061731407 /nfs/dbraw/zinc/73/14/07/1061731407.db2.gz ACOVYGGRDCOHKC-UHFFFAOYSA-N 0 0 456.324 2.921 20 0 JFADRN Cc1cccc(CCCn2c(Cc3ccccc3C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1 ZINC001290010924 1061734968 /nfs/dbraw/zinc/73/49/68/1061734968.db2.gz ZGTMEKFFYKPZOW-NRFANRHFSA-N 0 0 482.654 2.984 20 0 JFADRN Cc1cccc(CCCn2c(CC(C)C)nnc2N2CCCN(CC(=O)N3CCCC3)CC2)n1 ZINC001290010607 1061735093 /nfs/dbraw/zinc/73/50/93/1061735093.db2.gz UWRVJMFFQGPRLC-UHFFFAOYSA-N 0 0 467.662 2.947 20 0 JFADRN CCOc1ccc(NC(=O)[C@H]2CCCN2Cc2ccccn2)cc1S(=O)(=O)N1CCCC1 ZINC001290012750 1061735636 /nfs/dbraw/zinc/73/56/36/1061735636.db2.gz CTOLBBCWUBCINP-HXUWFJFHSA-N 0 0 458.584 2.868 20 0 JFADRN Cc1cccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1 ZINC001290014595 1061736811 /nfs/dbraw/zinc/73/68/11/1061736811.db2.gz AWCDRJDGHXUZBG-UYAOXDASSA-N 0 0 467.618 2.554 20 0 JFADRN Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccc(C)c(C)c3)CC2)n1 ZINC001290015142 1061737386 /nfs/dbraw/zinc/73/73/86/1061737386.db2.gz AJRFACNHNVUPKR-NRFANRHFSA-N 0 0 497.669 2.778 20 0 JFADRN Cc1cccc(CCn2c(-c3cccc(C)n3)nnc2N2CCC(NS(C)(=O)=O)CC2)c1 ZINC001290015758 1061737884 /nfs/dbraw/zinc/73/78/84/1061737884.db2.gz UEQAOEVFJDHUIR-UHFFFAOYSA-N 0 0 454.600 2.718 20 0 JFADRN Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOC3(C2)CCCCCC3)n1 ZINC001290015291 1061738069 /nfs/dbraw/zinc/73/80/69/1061738069.db2.gz CSSHRZZDSKQYLH-IBGZPJMESA-N 0 0 476.647 2.764 20 0 JFADRN Cc1cccc(CCn2c(C(C)C)nnc2N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1 ZINC001290016973 1061740828 /nfs/dbraw/zinc/74/08/28/1061740828.db2.gz OZGADZOHXRHREY-NHCUHLMSSA-N 0 0 467.662 2.974 20 0 JFADRN Cc1cccc(CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@H](C)CC(N)=O)c1 ZINC001290021298 1061743171 /nfs/dbraw/zinc/74/31/71/1061743171.db2.gz GEYLFQNFILKNSX-QUCCMNQESA-N 0 0 486.617 2.838 20 0 JFADRN Cc1cccc(CCn2c(CC(C)C)nnc2N2CCCN(CC(=O)N3CCCC3)CC2)n1 ZINC001290022339 1061743782 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O=C(Cc1ccc2n[nH]cc2c1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC001290058036 1061777736 /nfs/dbraw/zinc/77/77/36/1061777736.db2.gz GMLHKRLXZILHRR-UHFFFAOYSA-N 0 0 453.351 2.945 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@](C)(N4CCOCC4)C3)n2CCCNC(=O)C(C)C)c1 ZINC001290058022 1061777833 /nfs/dbraw/zinc/77/78/33/1061777833.db2.gz BPOZVSMGASBDDI-AREMUKBSSA-N 0 0 484.645 2.629 20 0 JFADRN NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)cc1Br ZINC001294292947 1061777953 /nfs/dbraw/zinc/77/79/53/1061777953.db2.gz QPYSVMQEISFFKJ-CYBMUJFWSA-N 0 0 458.765 2.759 20 0 JFADRN O=C(CCNC(=O)c1[nH]nc2ccccc21)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC001294293338 1061778435 /nfs/dbraw/zinc/77/84/35/1061778435.db2.gz HTWCYCGZHOXQOR-AWEZNQCLSA-N 0 0 459.428 2.623 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccccc2F)n1CCc1ccncc1 ZINC001286975812 1061778613 /nfs/dbraw/zinc/77/86/13/1061778613.db2.gz HCQIFTHMKLSNHV-IAGOWNOFSA-N 0 0 461.563 2.892 20 0 JFADRN CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)CC1 ZINC001294293580 1061778673 /nfs/dbraw/zinc/77/86/73/1061778673.db2.gz WJTVROKFLCJTOR-UHFFFAOYSA-N 0 0 455.552 2.725 20 0 JFADRN COC(=O)CCCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001290059069 1061779361 /nfs/dbraw/zinc/77/93/61/1061779361.db2.gz WAXLYCFLXSVUDB-UHFFFAOYSA-N 0 0 456.870 2.535 20 0 JFADRN CCCCn1cc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@]3(CCO[C@H]3C)C2)c(C)n1 ZINC001294294803 1061779755 /nfs/dbraw/zinc/77/97/55/1061779755.db2.gz APXGJRPOJUAOLQ-UQBPGWFLSA-N 0 0 487.649 2.934 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCCC2)nc1 ZINC001286975948 1061780079 /nfs/dbraw/zinc/78/00/79/1061780079.db2.gz DULCYLFNSRTHLQ-ROUUACIJSA-N 0 0 471.631 2.585 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1ncn(-c2ccccc2)n1)S(C)(=O)=O ZINC001286975992 1061780528 /nfs/dbraw/zinc/78/05/28/1061780528.db2.gz NFIVCXYNOIBQOY-DLBZAZTESA-N 0 0 485.639 2.817 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1Cc1ncn(-c2ccccc2)n1 ZINC001286976002 1061780610 /nfs/dbraw/zinc/78/06/10/1061780610.db2.gz NFIVCXYNOIBQOY-IRXDYDNUSA-N 0 0 485.639 2.817 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC(=O)N(C)C)c1 ZINC001290060136 1061780874 /nfs/dbraw/zinc/78/08/74/1061780874.db2.gz QZLMDXWGDLXBOD-UHFFFAOYSA-N 0 0 453.465 2.602 20 0 JFADRN CCCCn1c(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001294295819 1061781114 /nfs/dbraw/zinc/78/11/14/1061781114.db2.gz DLSUQBUXKDDNSR-RUZDIDTESA-N 0 0 476.666 2.501 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC(=O)NC(C)(C)C ZINC001286976115 1061781536 /nfs/dbraw/zinc/78/15/36/1061781536.db2.gz NYSXGSNLDZYAPO-GJZGRUSLSA-N 0 0 485.601 2.710 20 0 JFADRN CCCCn1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)c(C)n1 ZINC001294296124 1061781781 /nfs/dbraw/zinc/78/17/81/1061781781.db2.gz NEMZRVMYUDGVDB-NRFANRHFSA-N 0 0 498.676 2.999 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCc1c[nH]c2ccccc12 ZINC001286976220 1061782101 /nfs/dbraw/zinc/78/21/01/1061782101.db2.gz CQWRNWSLVABZOG-JXXFODFXSA-N 0 0 472.615 2.601 20 0 JFADRN C[C@@H](O)c1ncc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)s1 ZINC001290061681 1061782096 /nfs/dbraw/zinc/78/20/96/1061782096.db2.gz RIMAWCVCZCDJLU-SNVBAGLBSA-N 0 0 450.369 2.650 20 0 JFADRN CCCCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C)[C@@H]2CC)c(C)n1 ZINC001294296186 1061782175 /nfs/dbraw/zinc/78/21/75/1061782175.db2.gz NSULCGPBFSSFKG-IEZWGBDMSA-N 0 0 451.641 2.866 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC4(C3)CCOCC4)n2CC(=O)NCC(F)(F)F)c1 ZINC001290062229 1061782402 /nfs/dbraw/zinc/78/24/02/1061782402.db2.gz BPJXWENFASWZRB-UHFFFAOYSA-N 0 0 467.492 2.851 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CC(=O)N(C)C)c1 ZINC001290062226 1061782424 /nfs/dbraw/zinc/78/24/24/1061782424.db2.gz BLNDIZAVKNQLEP-GOSISDBHSA-N 0 0 472.590 2.699 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCCNC(=O)OC(C)(C)C)c1 ZINC001290062199 1061782541 /nfs/dbraw/zinc/78/25/41/1061782541.db2.gz ALKPRTXIWQLWRB-RUZDIDTESA-N 0 0 484.601 2.797 20 0 JFADRN CCCCn1cc(Cn2c(-c3ccc(C)o3)nnc2N2CCCN(S(C)(=O)=O)CC2)c(C)n1 ZINC001294296297 1061782792 /nfs/dbraw/zinc/78/27/92/1061782792.db2.gz SQUMOLFJTMZEMX-UHFFFAOYSA-N 0 0 475.619 2.672 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC2(O)CCOCC2)CC1 ZINC001286976403 1061783066 /nfs/dbraw/zinc/78/30/66/1061783066.db2.gz DTWNLEGFJZVCIT-UHFFFAOYSA-N 0 0 473.593 2.634 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnccn2)n1Cc1c(F)cc(F)c(F)c1F ZINC001286976310 1061783109 /nfs/dbraw/zinc/78/31/09/1061783109.db2.gz DAOBIVJWYZUXGY-QWRGUYRKSA-N 0 0 472.468 2.598 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@H]4OC(=O)O[C@H]4C3)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001290062459 1061783993 /nfs/dbraw/zinc/78/39/93/1061783993.db2.gz IOQFKKYNYKWUDW-LOKHSYKPSA-N 0 0 462.572 2.827 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2C[C@H]2CCOC[C@@H]2C)c1 ZINC001290062474 1061784331 /nfs/dbraw/zinc/78/43/31/1061784331.db2.gz ITSWJFXEGWMEQK-VQTJNVASSA-N 0 0 491.658 2.698 20 0 JFADRN CCCCn1cc(Cn2c(-c3cccc(OC)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)c(C)n1 ZINC001294296687 1061784381 /nfs/dbraw/zinc/78/43/81/1061784381.db2.gz VSVGFENXHFHQCY-OAQYLSRUSA-N 0 0 472.615 2.930 20 0 JFADRN CCCCn1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H]2CCOC2)c(C)n1 ZINC001294297507 1061785672 /nfs/dbraw/zinc/78/56/72/1061785672.db2.gz XHPWTZYDISYEMF-SFHVURJKSA-N 0 0 452.563 2.751 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)NCC(F)F)c1 ZINC001290062740 1061785697 /nfs/dbraw/zinc/78/56/97/1061785697.db2.gz OAHQUFTVXLOIQM-INIZCTEOSA-N 0 0 494.543 2.650 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2CC2(O)CCCCC2)c1 ZINC001290062855 1061786200 /nfs/dbraw/zinc/78/62/00/1061786200.db2.gz HKFWUAGRMDCROH-UHFFFAOYSA-N 0 0 491.658 2.626 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCc4ccc(Cl)nc4C3)n2CCS(C)(=O)=O)c1 ZINC001290062955 1061786225 /nfs/dbraw/zinc/78/62/25/1061786225.db2.gz RKPLQBOTMXUZAE-UHFFFAOYSA-N 0 0 461.975 2.821 20 0 JFADRN CCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 ZINC001294298148 1061786619 /nfs/dbraw/zinc/78/66/19/1061786619.db2.gz ZEMJCDBQJSVHBL-HDICACEKSA-N 0 0 498.632 2.669 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnccn2)n1Cc1cc(-c2ccccc2)no1 ZINC001286976760 1061786689 /nfs/dbraw/zinc/78/66/89/1061786689.db2.gz DJZNTCBQEKOXSV-CVEARBPZSA-N 0 0 467.555 2.696 20 0 JFADRN CCCCn1cc(Cn2c([C@H]3COc4ccccc4O3)nnc2N(C)C[C@@H](C)C(=O)NC)c(C)n1 ZINC001294297807 1061786780 /nfs/dbraw/zinc/78/67/80/1061786780.db2.gz HTJUELJOGMLNPZ-VGOFRKELSA-N 0 0 481.601 2.962 20 0 JFADRN CCCCn1c(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294298183 1061787257 /nfs/dbraw/zinc/78/72/57/1061787257.db2.gz ZTDILFMRLMWLCJ-AJEPASEPSA-N 0 0 490.693 2.936 20 0 JFADRN CCCCn1cc(Cn2c(-c3cnccn3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)c(C)n1 ZINC001294299778 1061787741 /nfs/dbraw/zinc/78/77/41/1061787741.db2.gz SUQMVRVKFZEVKL-FQEVSTJZSA-N 0 0 465.606 2.829 20 0 JFADRN CCCCn1cc(Cn2c(-c3cccnc3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)c(C)n1 ZINC001294299673 1061787844 /nfs/dbraw/zinc/78/78/44/1061787844.db2.gz RJYDQDRCWHOBDQ-FQEVSTJZSA-N 0 0 450.591 2.998 20 0 JFADRN CCCCn1cc(Cn2c([C@H]3COc4ccccc4O3)nnc2N(C)CCS(C)(=O)=O)c(C)n1 ZINC001294299843 1061788415 /nfs/dbraw/zinc/78/84/15/1061788415.db2.gz UPMFOPSYHCNBRV-OAQYLSRUSA-N 0 0 488.614 2.625 20 0 JFADRN CCCCn1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)c(C)n1 ZINC001294300148 1061788749 /nfs/dbraw/zinc/78/87/49/1061788749.db2.gz XDBULWUUCYWVPU-FPOVZHCZSA-N 0 0 484.649 2.571 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC(=O)N(C)C)c1 ZINC001290064192 1061788804 /nfs/dbraw/zinc/78/88/04/1061788804.db2.gz APQLXDHYKYPFHB-KRWDZBQOSA-N 0 0 455.481 2.801 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@H](CN4CCOCC4)C3)n2CCC(=O)NC(C)(C)C)c1 ZINC001290064432 1061788864 /nfs/dbraw/zinc/78/88/64/1061788864.db2.gz QRXMPOUSEZQXPL-NRFANRHFSA-N 0 0 484.645 2.629 20 0 JFADRN Cc1nc(CCn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)n[nH]1 ZINC001290064818 1061789347 /nfs/dbraw/zinc/78/93/47/1061789347.db2.gz DXZRPIIVQMZTMD-FQEVSTJZSA-N 0 0 480.617 2.823 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2CC2(O)CCC2)c1 ZINC001290065996 1061790007 /nfs/dbraw/zinc/79/00/07/1061790007.db2.gz XMKNWWRHUVZOAZ-UHFFFAOYSA-N 0 0 481.519 2.975 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC(=O)N2CCOCC2)c1 ZINC001290065820 1061790276 /nfs/dbraw/zinc/79/02/76/1061790276.db2.gz HQWUFNQQGQGOSD-OAQYLSRUSA-N 0 0 471.602 2.808 20 0 JFADRN CCCCn1cc(Cn2c(Cc3ccccc3F)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)c(C)n1 ZINC001294303759 1061790639 /nfs/dbraw/zinc/79/06/39/1061790639.db2.gz GQSNKWYLWHTADN-DENIHFKCSA-N 0 0 484.576 2.722 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CC1CC2(C1)CCOCC2 ZINC001286977592 1061790896 /nfs/dbraw/zinc/79/08/96/1061790896.db2.gz SFJSOEKCKZAPDF-MSOLQXFVSA-N 0 0 461.632 2.729 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CCOCC1 ZINC001286977552 1061791024 /nfs/dbraw/zinc/79/10/24/1061791024.db2.gz NNKWUXIAFCOTMK-RNIPGJKVSA-N 0 0 456.653 2.881 20 0 JFADRN CCCCn1cc(Cn2c(CC)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c(C)n1 ZINC001294303958 1061791339 /nfs/dbraw/zinc/79/13/39/1061791339.db2.gz KPOWQVNPPASQDZ-IBGZPJMESA-N 0 0 461.611 2.924 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2Cc2nncn2C)c1 ZINC001290067084 1061791862 /nfs/dbraw/zinc/79/18/62/1061791862.db2.gz VJHWWBHJRPMFGY-KRWDZBQOSA-N 0 0 465.480 2.890 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1Cc1cccc(N2CCOCC2)n1 ZINC001286977627 1061792001 /nfs/dbraw/zinc/79/20/01/1061792001.db2.gz NRADXOFDISAEIF-MOPGFXCFSA-N 0 0 490.674 2.549 20 0 JFADRN CCCCn1cc(Cn2c(N3CCN(C(=O)C(C)C)CC3)nnc2[C@@]2(OCC)CCOC2)c(C)n1 ZINC001294304791 1061792139 /nfs/dbraw/zinc/79/21/39/1061792139.db2.gz AGAUOHIIVKWEPS-RUZDIDTESA-N 0 0 487.649 2.588 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC1(C(N)=O)CCCC1 ZINC001286977678 1061792580 /nfs/dbraw/zinc/79/25/80/1061792580.db2.gz ICHOFJBIRPSZSS-GJZGRUSLSA-N 0 0 468.023 2.902 20 0 JFADRN C[C@@H](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001290067803 1061793113 /nfs/dbraw/zinc/79/31/13/1061793113.db2.gz DCEFSSGGGAQFPM-INIZCTEOSA-N 0 0 453.605 2.666 20 0 JFADRN C[C@H](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001290067804 1061793148 /nfs/dbraw/zinc/79/31/48/1061793148.db2.gz DCEFSSGGGAQFPM-MRXNPFEDSA-N 0 0 453.605 2.666 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CCN2CCC(C)CC2)c1 ZINC001290069385 1061793807 /nfs/dbraw/zinc/79/38/07/1061793807.db2.gz HQZQSTJLWVWAQE-JOCHJYFZSA-N 0 0 475.659 2.911 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCSCc1ccccc1F ZINC001286977746 1061793864 /nfs/dbraw/zinc/79/38/64/1061793864.db2.gz GNCFWLFCNSTROT-RVKKMQEKSA-N 0 0 483.635 2.560 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1COCCO1 ZINC001286977913 1061794180 /nfs/dbraw/zinc/79/41/80/1061794180.db2.gz ORDFYHVSSHNKES-BFYDXBDKSA-N 0 0 489.063 2.897 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@H]2CC[C@H](F)C2)c1 ZINC001290069415 1061794291 /nfs/dbraw/zinc/79/42/91/1061794291.db2.gz IEQWMBDUOPQGQW-OALUTQOASA-N 0 0 465.595 2.775 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(F)F)c1 ZINC001286977785 1061794302 /nfs/dbraw/zinc/79/43/02/1061794302.db2.gz GRIIDICHDKCEAM-ZIAGYGMSSA-N 0 0 452.531 2.922 20 0 JFADRN CCCCn1cc(Cn2c(N3CCC[C@@H](C(=O)OC)C3)nnc2[C@]2(OCC)CCOC2)c(C)n1 ZINC001294307119 1061794633 /nfs/dbraw/zinc/79/46/33/1061794633.db2.gz LLMRSTMYTBDSKX-DVECYGJZSA-N 0 0 474.606 2.673 20 0 JFADRN CCCCn1cc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCCN(CC)C(=O)C2)c(C)n1 ZINC001294306910 1061794783 /nfs/dbraw/zinc/79/47/83/1061794783.db2.gz JIYXDFCKAMRMIK-UHFFFAOYSA-N 0 0 467.622 2.552 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CCC[C@H]2CCCCO2)c1 ZINC001290069641 1061794784 /nfs/dbraw/zinc/79/47/84/1061794784.db2.gz OPDLBDGUQWCEEC-OAQYLSRUSA-N 0 0 491.658 2.987 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@H]2CC(F)(F)CO2)c1 ZINC001290069646 1061794918 /nfs/dbraw/zinc/79/49/18/1061794918.db2.gz OVCLKSDOWURPKX-MOPGFXCFSA-N 0 0 484.569 2.993 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(c4cnn(C)c4)CC3)n2CCN(C)CC(F)(F)F)c1 ZINC001290070271 1061795251 /nfs/dbraw/zinc/79/52/51/1061795251.db2.gz ALZHIRQOGUBZLQ-UHFFFAOYSA-N 0 0 492.550 2.720 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2csc(C(C)(C)C)n2)CC1 ZINC001286978042 1061795395 /nfs/dbraw/zinc/79/53/95/1061795395.db2.gz QUXYQYGQUCUWLD-QGZVFWFLSA-N 0 0 487.674 2.921 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(F)cn1)S(C)(=O)=O ZINC001286978117 1061795821 /nfs/dbraw/zinc/79/58/21/1061795821.db2.gz PAFPWCPAQZENPV-LSDHHAIUSA-N 0 0 465.526 2.836 20 0 JFADRN Cc1nccn1CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001290070440 1061795865 /nfs/dbraw/zinc/79/58/65/1061795865.db2.gz CWRHZKCSBKPPSY-FQEVSTJZSA-N 0 0 451.575 2.853 20 0 JFADRN CCCCn1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC(C)(OC)C2)c(C)n1 ZINC001294308308 1061796026 /nfs/dbraw/zinc/79/60/26/1061796026.db2.gz QGKNPABWUIYMEF-UHFFFAOYSA-N 0 0 457.604 2.848 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CCN(C)Cc1ccc(F)cc1 ZINC001286978243 1061796344 /nfs/dbraw/zinc/79/63/44/1061796344.db2.gz PPVRMOLYCPNLFE-MBOZVWFJSA-N 0 0 467.611 2.659 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(CCc2ccccc2)n1CCNC(=O)OC(C)(C)C)S(C)(=O)=O ZINC001286978294 1061797479 /nfs/dbraw/zinc/79/74/79/1061797479.db2.gz QBGFXQPMVXRXFT-ZWKOTPCHSA-N 0 0 479.647 2.846 20 0 JFADRN Cc1cc([C@@](C)(O)Cn2c(COc3cccc(C)c3)nnc2N2CCN(C)C(=O)C2)c(C)o1 ZINC001290071462 1061797720 /nfs/dbraw/zinc/79/77/20/1061797720.db2.gz MWVROSDZIODASX-DEOSSOPVSA-N 0 0 453.543 2.561 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccnc2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001286978386 1061797799 /nfs/dbraw/zinc/79/77/99/1061797799.db2.gz JKMDLWONLMPVTC-HUUCEWRRSA-N 0 0 498.531 2.982 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccnc2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001286978384 1061797927 /nfs/dbraw/zinc/79/79/27/1061797927.db2.gz JKMDLWONLMPVTC-CABCVRRESA-N 0 0 498.531 2.982 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(C)COCCO1 ZINC001286978415 1061798376 /nfs/dbraw/zinc/79/83/76/1061798376.db2.gz JQNULXIZIGXXLO-SXGZJXTBSA-N 0 0 456.996 2.662 20 0 JFADRN Cc1coc(C)c1Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001290071783 1061799248 /nfs/dbraw/zinc/79/92/48/1061799248.db2.gz UFWQULCSNYPGNM-UHFFFAOYSA-N 0 0 494.596 2.597 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCOC2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001286978550 1061799459 /nfs/dbraw/zinc/79/94/59/1061799459.db2.gz VVFPAKSOSGPYKF-DXIQSLLYSA-N 0 0 489.686 2.877 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CC=CCO1 ZINC001286978543 1061799542 /nfs/dbraw/zinc/79/95/42/1061799542.db2.gz HLLOULSWAFMMNP-LVCYWYKZSA-N 0 0 470.599 2.734 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CCCCNC(=O)OC(C)(C)C ZINC001286978652 1061800283 /nfs/dbraw/zinc/80/02/83/1061800283.db2.gz WQLILLSZBSGXJE-KZNAEPCWSA-N 0 0 487.667 2.735 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNc2ccccn2)CC1 ZINC001286978670 1061800781 /nfs/dbraw/zinc/80/07/81/1061800781.db2.gz QQJWAZLGFKTUPY-UHFFFAOYSA-N 0 0 491.600 2.517 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CC2)n1Cc1cn(C)nc1-c1ccccc1 ZINC001286978724 1061801238 /nfs/dbraw/zinc/80/12/38/1061801238.db2.gz RRZHUYOGXYCQBZ-IAGOWNOFSA-N 0 0 456.616 2.937 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCc2ccccc2C1 ZINC001286978909 1061802319 /nfs/dbraw/zinc/80/23/19/1061802319.db2.gz XCKDBGOYEIGSCB-TXTKFYIRSA-N 0 0 489.686 2.878 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCCN1CCCCCC1=O)S(C)(=O)=O ZINC001286978923 1061802957 /nfs/dbraw/zinc/80/29/57/1061802957.db2.gz XGJKPVKHGRSXCQ-ZWKOTPCHSA-N 0 0 481.688 2.981 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2nccc(C(F)(F)F)n2)CC1 ZINC001286979025 1061803602 /nfs/dbraw/zinc/80/36/02/1061803602.db2.gz ZMILQDFFKCPOCJ-MRXNPFEDSA-N 0 0 495.550 2.918 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001286978957 1061803657 /nfs/dbraw/zinc/80/36/57/1061803657.db2.gz YCHHEFUFRCJRNH-QZTJIDSGSA-N 0 0 471.627 2.797 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(CC(=O)N4CCCCCC4)CC3)n2CCC(C)(C)O)c1 ZINC001290075188 1061803873 /nfs/dbraw/zinc/80/38/73/1061803873.db2.gz SXDIEDJDIDGSHC-UHFFFAOYSA-N 0 0 498.672 2.851 20 0 JFADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)Nc1ccc(OCC(C)(C)O)cc1 ZINC001294312832 1061804481 /nfs/dbraw/zinc/80/44/81/1061804481.db2.gz WQJSRWAAOUGPHB-IBGZPJMESA-N 0 0 451.564 2.830 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN4C(=O)N(C)C[C@H]4C3)n2CCN(C)C(=O)OC(C)(C)C)c1 ZINC001290075475 1061804671 /nfs/dbraw/zinc/80/46/71/1061804671.db2.gz XVFINBDXVRVTKS-IBGZPJMESA-N 0 0 499.616 2.588 20 0 JFADRN Cc1ccsc1CCn1c(COc2cccc(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001290075431 1061804732 /nfs/dbraw/zinc/80/47/32/1061804732.db2.gz XASGRONHKCSEJJ-UHFFFAOYSA-N 0 0 475.640 2.860 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@@H]2CCCCS2(=O)=O)c1 ZINC001290077255 1061805731 /nfs/dbraw/zinc/80/57/31/1061805731.db2.gz HJVFNMYQSJBKQY-ZWKOTPCHSA-N 0 0 488.532 2.900 20 0 JFADRN Cc1nnc([C@@H]2CN(c3nnc(COc4cccc(C)c4)n3CCC(=O)NC(C)(C)C)CCO2)o1 ZINC001290077453 1061806127 /nfs/dbraw/zinc/80/61/27/1061806127.db2.gz IYYMBINOKBKQRI-IBGZPJMESA-N 0 0 483.573 2.740 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCSC4(CCOCC4)C3)n2CCOCCCO)c1 ZINC001290077336 1061806224 /nfs/dbraw/zinc/80/62/24/1061806224.db2.gz DJKXAIQKLGXQNA-UHFFFAOYSA-N 0 0 462.616 2.667 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001290077601 1061806654 /nfs/dbraw/zinc/80/66/54/1061806654.db2.gz HOWKMIPKPZLMSN-XBSUGVOASA-N 0 0 473.643 2.675 20 0 JFADRN Cc1cc(C)n(C[C@@H]2CN(c3nnc(COc4cccc(C)c4)n3CCC(=O)NC(C)C)CCO2)n1 ZINC001290077492 1061806774 /nfs/dbraw/zinc/80/67/74/1061806774.db2.gz JWARJBFZIUTXGR-QHCPKHFHSA-N 0 0 495.628 2.799 20 0 JFADRN CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccccn3)n2CCNC(=O)c2cccs2)C1 ZINC001286979809 1061809700 /nfs/dbraw/zinc/80/97/00/1061809700.db2.gz BVVOSKJPQFYUQC-KRWDZBQOSA-N 0 0 481.626 2.963 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1CC1([S@](C)=O)CCC1 ZINC001286979880 1061809879 /nfs/dbraw/zinc/80/98/79/1061809879.db2.gz WMDKRTOJQYXSRW-ITYGUNAYSA-N 0 0 466.673 2.622 20 0 JFADRN Cc1cccc(OCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)S[C@@H](C)C2)c1 ZINC001290079583 1061810115 /nfs/dbraw/zinc/81/01/15/1061810115.db2.gz BDADITXGSICAKC-IXDOHACOSA-N 0 0 453.634 2.606 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(OC(C)(C)C)nc1)S(C)(=O)=O ZINC001286980082 1061810982 /nfs/dbraw/zinc/81/09/82/1061810982.db2.gz KNFXNCGIBASUAX-JKSUJKDBSA-N 0 0 473.603 2.614 20 0 JFADRN Cc1cccc2[nH]cc(CCn3c(C(=O)NC(C)C)nnc3N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c21 ZINC001290083529 1061812061 /nfs/dbraw/zinc/81/20/61/1061812061.db2.gz BEERBARIEMTRKQ-DLBZAZTESA-N 0 0 474.631 2.707 20 0 JFADRN Cc1cccc(OCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@H](C)CC(C)(C)C2)c1 ZINC001290083727 1061812891 /nfs/dbraw/zinc/81/28/91/1061812891.db2.gz BBSODWDEWUKWPS-CTNGQTDRSA-N 0 0 491.658 2.871 20 0 JFADRN Cc1cccc(OCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS[C@@H](C)[C@@H]2C)c1 ZINC001290084154 1061814051 /nfs/dbraw/zinc/81/40/51/1061814051.db2.gz GGFFLROTSOXXSG-OKZBNKHCSA-N 0 0 450.630 2.898 20 0 JFADRN 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ORWVNTFMYCKETK-RBUKOAKNSA-N 0 0 453.653 2.920 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2C[C@@H](C)COC)cc1OC ZINC001294940618 1062726111 /nfs/dbraw/zinc/72/61/11/1062726111.db2.gz SFQCEPQBICWZOZ-AEFFLSMTSA-N 0 0 459.547 2.666 20 0 JFADRN CC(C)[C@@H]1CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC(=O)N2)C1 ZINC001287233783 1062726535 /nfs/dbraw/zinc/72/65/35/1062726535.db2.gz PPKZQGGRLZXCJR-QRVBRYPASA-N 0 0 476.622 2.738 20 0 JFADRN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCCC[C@H]3C(N)=O)cc2)cc1 ZINC001290835439 1062727423 /nfs/dbraw/zinc/72/74/23/1062727423.db2.gz XVGRGEKLXVRIRS-NRFANRHFSA-N 0 0 457.596 2.943 20 0 JFADRN COCCOc1cncc(C(=O)NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 ZINC001294942764 1062728591 /nfs/dbraw/zinc/72/85/91/1062728591.db2.gz JXYDFUXAHBKKOT-UHFFFAOYSA-N 0 0 459.499 2.977 20 0 JFADRN Cc1nnc(N2CCC[C@@]3(CN(Cc4ccccc4)CCO3)C2)n1CCNC(=O)C(C)(C)C ZINC001290840684 1062729241 /nfs/dbraw/zinc/72/92/41/1062729241.db2.gz NLDHJDVVNXCPLY-RUZDIDTESA-N 0 0 454.619 2.620 20 0 JFADRN CC(C)(C)OC(=O)[C@@]1(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)CCCO1 ZINC001290840074 1062729289 /nfs/dbraw/zinc/72/92/89/1062729289.db2.gz SRACWUHUHASHHX-NRFANRHFSA-N 0 0 456.461 2.881 20 0 JFADRN Cc1cnc2c(cccc2S(=O)(=O)N2CCN(C(=O)c3cc(C)cc(C=O)c3O)CC2)c1 ZINC001290841331 1062729635 /nfs/dbraw/zinc/72/96/35/1062729635.db2.gz HVVFJQNGGXIXJV-UHFFFAOYSA-N 0 0 453.520 2.516 20 0 JFADRN Cc1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1Cc1ccccc1CN1CCOCC1 ZINC001290841580 1062729776 /nfs/dbraw/zinc/72/97/76/1062729776.db2.gz DUSLXMRGMOWSEG-UHFFFAOYSA-N 0 0 470.618 2.772 20 0 JFADRN Cc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1CCC(=O)N1CCCCC1 ZINC001290841838 1062730534 /nfs/dbraw/zinc/73/05/34/1062730534.db2.gz HCUKBOFHRRYGJJ-UHFFFAOYSA-N 0 0 458.994 2.995 20 0 JFADRN CC(C)[C@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F ZINC001287245775 1062731014 /nfs/dbraw/zinc/73/10/14/1062731014.db2.gz GJVCDZGDXIMQFE-CABCVRRESA-N 0 0 467.558 2.824 20 0 JFADRN CC(C)[C@@H]1CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 ZINC001287245212 1062731106 /nfs/dbraw/zinc/73/11/06/1062731106.db2.gz AGTCCOPSASORJI-OALUTQOASA-N 0 0 451.637 2.598 20 0 JFADRN CCCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](COC)C2)cc1 ZINC001294946988 1062731675 /nfs/dbraw/zinc/73/16/75/1062731675.db2.gz BLVDPKNOPUYJLC-HXUWFJFHSA-N 0 0 466.542 2.614 20 0 JFADRN Cc1nnc(N2CCCN(CC(F)(F)F)CC2)n1CCCn1cc(Br)cn1 ZINC001290845396 1062731932 /nfs/dbraw/zinc/73/19/32/1062731932.db2.gz JXUAPQJKDRWLMY-UHFFFAOYSA-N 0 0 450.307 2.710 20 0 JFADRN CCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)cn1 ZINC001294947020 1062732086 /nfs/dbraw/zinc/73/20/86/1062732086.db2.gz CSHKHEBCJAPYOM-UHFFFAOYSA-N 0 0 483.539 2.723 20 0 JFADRN CC(C)[C@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCNS(C)(=O)=O ZINC001287248455 1062733464 /nfs/dbraw/zinc/73/34/64/1062733464.db2.gz DFQYSZSFDVNYCK-MSOLQXFVSA-N 0 0 484.667 2.914 20 0 JFADRN Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001290850976 1062734913 /nfs/dbraw/zinc/73/49/13/1062734913.db2.gz DLAMVXIINFDPJJ-UHFFFAOYSA-N 0 0 483.997 2.699 20 0 JFADRN CCCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C(F)(F)F)CC2)cn1 ZINC001294948757 1062735166 /nfs/dbraw/zinc/73/51/66/1062735166.db2.gz GUNVVEQBEDQEPX-CQSZACIVSA-N 0 0 490.552 2.899 20 0 JFADRN CCCOc1ccc(Cn2c(C)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1OC ZINC001294949079 1062735495 /nfs/dbraw/zinc/73/54/95/1062735495.db2.gz JPRCVWPGWRTIHW-LJQANCHMSA-N 0 0 465.620 2.540 20 0 JFADRN CCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](c3ccnn3C)C2)cn1 ZINC001294949816 1062736219 /nfs/dbraw/zinc/73/62/19/1062736219.db2.gz VGWQNTVKEQEKGQ-LJQANCHMSA-N 0 0 466.590 2.766 20 0 JFADRN CCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nc(C)cc(C)n3)CC2)cc1 ZINC001294950223 1062736911 /nfs/dbraw/zinc/73/69/11/1062736911.db2.gz YSPKIYNGFWITPY-UHFFFAOYSA-N 0 0 492.628 2.987 20 0 JFADRN Cc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001290852744 1062737493 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BWBFTBNJAVLLTA-KRWDZBQOSA-N 0 0 474.656 2.830 20 0 JFADRN CCCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC(=O)N(C)C[C@@H]2C)cn1 ZINC001294954557 1062739638 /nfs/dbraw/zinc/73/96/38/1062739638.db2.gz VQWLHFHDFYDFGP-HNNXBMFYSA-N 0 0 455.950 2.893 20 0 JFADRN CCCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](NC(=O)CCC)C2)cn1 ZINC001294956962 1062740377 /nfs/dbraw/zinc/74/03/77/1062740377.db2.gz AOYCBASQIYAYOF-HXUWFJFHSA-N 0 0 466.590 2.796 20 0 JFADRN CC(C)[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2ccccc2F)C1 ZINC001287265433 1062740760 /nfs/dbraw/zinc/74/07/60/1062740760.db2.gz NSWLEIVCWPYDGZ-PZJWPPBQSA-N 0 0 479.622 2.865 20 0 JFADRN CCCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(C(=O)OC)CC2)cc1OC ZINC001294957644 1062740670 /nfs/dbraw/zinc/74/06/70/1062740670.db2.gz KQQTYBTWPQHWFV-UHFFFAOYSA-N 0 0 466.542 2.970 20 0 JFADRN Cc1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001290857844 1062742122 /nfs/dbraw/zinc/74/21/22/1062742122.db2.gz RHNNWXOEQIYAPT-QGZVFWFLSA-N 0 0 458.563 2.959 20 0 JFADRN CCCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC(NC(=O)COC)CC2)cc1 ZINC001294959623 1062742506 /nfs/dbraw/zinc/74/25/06/1062742506.db2.gz KQABBSSAIOOXSK-FQEVSTJZSA-N 0 0 471.602 2.741 20 0 JFADRN CCCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCN(C(=O)COC)CC2)cc1 ZINC001294960194 1062742957 /nfs/dbraw/zinc/74/29/57/1062742957.db2.gz BLROFZHMUMIBCA-UHFFFAOYSA-N 0 0 464.570 2.781 20 0 JFADRN CCCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)cn1 ZINC001294961563 1062743381 /nfs/dbraw/zinc/74/33/81/1062743381.db2.gz GKIPVCVGVKJDBH-IBGZPJMESA-N 0 0 463.604 2.765 20 0 JFADRN CCCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC001294961724 1062743908 /nfs/dbraw/zinc/74/39/08/1062743908.db2.gz YIUKIGKZRRLYFS-ZHALLVOQSA-N 0 0 478.615 2.640 20 0 JFADRN CCCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(CC(=O)N3CCCC3)CC2)cn1 ZINC001294961729 1062744026 /nfs/dbraw/zinc/74/40/26/1062744026.db2.gz YLWGDOORRQUIGJ-UHFFFAOYSA-N 0 0 483.661 2.843 20 0 JFADRN 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CCCOc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CCN(C(=O)NC)CC2)cn1 ZINC001294969583 1062751660 /nfs/dbraw/zinc/75/16/60/1062751660.db2.gz XAMBVZICHKLYJR-UHFFFAOYSA-N 0 0 483.548 2.690 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCCS2(=O)=O)CCS1 ZINC001287276701 1062751960 /nfs/dbraw/zinc/75/19/60/1062751960.db2.gz ANJBMYZTILDWDX-INIZCTEOSA-N 0 0 471.052 2.607 20 0 JFADRN Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001290869305 1062752677 /nfs/dbraw/zinc/75/26/77/1062752677.db2.gz FHRGZBGNHXFVDJ-NRFANRHFSA-N 0 0 491.681 2.707 20 0 JFADRN CCCOc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOC(C)(C)[C@@H]2C)c1 ZINC001294971460 1062752861 /nfs/dbraw/zinc/75/28/61/1062752861.db2.gz CRDCHQIPRSHSKC-MSOLQXFVSA-N 0 0 479.647 2.924 20 0 JFADRN CCCOc1cccc(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(=O)NC(C)(C)C)c1 ZINC001294971381 1062752946 /nfs/dbraw/zinc/75/29/46/1062752946.db2.gz AJVPMRCHDXEZPK-LJQANCHMSA-N 0 0 456.591 2.612 20 0 JFADRN 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CCCOc1cccc(CCn2c(-c3cnccn3)nnc2N2CCN(C(=O)NCC)CC2)c1 ZINC001294972864 1062755173 /nfs/dbraw/zinc/75/51/73/1062755173.db2.gz NUPYAEDKUNMQJH-UHFFFAOYSA-N 0 0 464.574 2.618 20 0 JFADRN COC(=O)c1sc2c(c1Br)CN(C(=O)c1cn(CC(=O)C(C)(C)C)nn1)C2 ZINC001287279210 1062755616 /nfs/dbraw/zinc/75/56/16/1062755616.db2.gz FUUJAQGEGAQNLZ-UHFFFAOYSA-N 0 0 455.334 2.660 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(-c3cccnc3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 ZINC001287280082 1062756241 /nfs/dbraw/zinc/75/62/41/1062756241.db2.gz HYJYIGNZURUDDE-RBUKOAKNSA-N 0 0 450.534 2.557 20 0 JFADRN Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001290870721 1062756303 /nfs/dbraw/zinc/75/63/03/1062756303.db2.gz WVBHOLCJSDQAPF-UHFFFAOYSA-N 0 0 499.626 2.822 20 0 JFADRN CCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](Oc2ccccn2)C1 ZINC001294973147 1062756430 /nfs/dbraw/zinc/75/64/30/1062756430.db2.gz CLPJUKUBTRNNQF-LJQANCHMSA-N 0 0 465.558 2.701 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(-c3cccn3C)n2CCCNC(=O)c2cccc(O)c2)CCO1 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CCN(CC)C(=O)CCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001295319025 1063200345 /nfs/dbraw/zinc/20/03/45/1063200345.db2.gz RRNLASHHENGATG-HKUYNNGSSA-N 0 0 488.637 2.677 20 0 JFADRN CCN(CC)C(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC001295319202 1063200955 /nfs/dbraw/zinc/20/09/55/1063200955.db2.gz UUYMYCVTKVWKIT-HLAWJBBLSA-N 0 0 468.602 2.844 20 0 JFADRN CCN(CC)C(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2ccccc2)C1 ZINC001295319649 1063203214 /nfs/dbraw/zinc/20/32/14/1063203214.db2.gz ZSQUPSLHOLAPEO-CPJSRVTESA-N 0 0 468.602 2.630 20 0 JFADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1Cn1c(-c2ccccn2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001291139391 1063203447 /nfs/dbraw/zinc/20/34/47/1063203447.db2.gz AWSZNIUBASAACD-YLNUKYHNSA-N 0 0 469.590 2.687 20 0 JFADRN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1Cn1c(-c2ccccn2)nnc1N(C)CCN1CCOCC1 ZINC001291139594 1063204136 /nfs/dbraw/zinc/20/41/36/1063204136.db2.gz HBFNODHITPUMNC-FPOVZHCZSA-N 0 0 485.633 2.754 20 0 JFADRN CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001295323127 1063205967 /nfs/dbraw/zinc/20/59/67/1063205967.db2.gz PKMNWAFTWBKDDL-GHTZIAJQSA-N 0 0 459.543 2.835 20 0 JFADRN CCN(CC)C(=O)CCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001295323455 1063207059 /nfs/dbraw/zinc/20/70/59/1063207059.db2.gz FRQBLQLFXIGDMG-UHFFFAOYSA-N 0 0 460.602 2.771 20 0 JFADRN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001291140260 1063207573 /nfs/dbraw/zinc/20/75/73/1063207573.db2.gz UMBWVRUNEMYULQ-ISARSNTHSA-N 0 0 457.579 2.588 20 0 JFADRN CCN(CC)C(=O)CCCn1c(Cc2ccsc2)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001295324059 1063207701 /nfs/dbraw/zinc/20/77/01/1063207701.db2.gz LIBYNODFGBCDRO-IBGZPJMESA-N 0 0 458.632 2.780 20 0 JFADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1Cn1c(-c2ccccn2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001291140279 1063208209 /nfs/dbraw/zinc/20/82/09/1063208209.db2.gz VFXQRXOKLPEQKS-LMMKCTJWSA-N 0 0 469.590 2.653 20 0 JFADRN CCN(CC)C(=O)CCCn1c(CN2CCCC2=O)nnc1N1CCc2c(C)cccc2C1 ZINC001295324109 1063208167 /nfs/dbraw/zinc/20/81/67/1063208167.db2.gz MJYXUIGANFCRRX-UHFFFAOYSA-N 0 0 452.603 2.920 20 0 JFADRN CCN(CC)C(=O)CCCn1c([C@@H]2CCOC2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001295324214 1063208752 /nfs/dbraw/zinc/20/87/52/1063208752.db2.gz IBVSPURAQWQFAU-QGZVFWFLSA-N 0 0 460.545 2.505 20 0 JFADRN CCN(CC)C(=O)CCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001295324884 1063209694 /nfs/dbraw/zinc/20/96/94/1063209694.db2.gz JHLPQZLUDBPKKJ-FQEVSTJZSA-N 0 0 466.590 2.988 20 0 JFADRN CCN(CC)C(=O)CCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001295324886 1063209742 /nfs/dbraw/zinc/20/97/42/1063209742.db2.gz JHLPQZLUDBPKKJ-HXUWFJFHSA-N 0 0 466.590 2.988 20 0 JFADRN CCN(CC)C(=O)CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccccc2F)C1 ZINC001295324889 1063209771 /nfs/dbraw/zinc/20/97/71/1063209771.db2.gz OGDVQMNCFWMQAZ-NRFANRHFSA-N 0 0 486.592 2.766 20 0 JFADRN CCN(CC)C(=O)CCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001295324887 1063209854 /nfs/dbraw/zinc/20/98/54/1063209854.db2.gz ODUIXSYTZFWPJX-XMMPIXPASA-N 0 0 489.020 2.876 20 0 JFADRN CCN(CC)C(=O)CCCn1c(Cc2cccnc2)nnc1N1CCCN(c2nc(C)ns2)CC1 ZINC001295326112 1063212904 /nfs/dbraw/zinc/21/29/04/1063212904.db2.gz QUMANTLECOUYSX-UHFFFAOYSA-N 0 0 497.673 2.789 20 0 JFADRN CCN(CC)C(=O)CCCn1c(CN2CCCC2=O)nnc1N1CCc2cc(F)ccc2C1 ZINC001295326169 1063213207 /nfs/dbraw/zinc/21/32/07/1063213207.db2.gz YMBUIHQQNVSCLH-UHFFFAOYSA-N 0 0 456.566 2.751 20 0 JFADRN CCN(CC)C(=O)CCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001295326617 1063214192 /nfs/dbraw/zinc/21/41/92/1063214192.db2.gz WZFMHUFAUNRLPA-VWLOTQADSA-N 0 0 484.601 2.557 20 0 JFADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291141548 1063216084 /nfs/dbraw/zinc/21/60/84/1063216084.db2.gz PKTXDEDGVYMLCC-FCGDIQPGSA-N 0 0 476.622 2.867 20 0 JFADRN CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccccc3C)n2CCc2ccn(C)n2)CC1 ZINC001295326824 1063216865 /nfs/dbraw/zinc/21/68/65/1063216865.db2.gz CKLNNAWGSDQTEX-UHFFFAOYSA-N 0 0 478.645 2.610 20 0 JFADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001291142018 1063217831 /nfs/dbraw/zinc/21/78/31/1063217831.db2.gz XCULOJAQSQPKQA-AKHDSKFASA-N 0 0 476.622 2.519 20 0 JFADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1Cn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1C(C)(C)C ZINC001291142095 1063218489 /nfs/dbraw/zinc/21/84/89/1063218489.db2.gz YBPIJBXWPPTGTB-IKGGRYGDSA-N 0 0 469.652 2.844 20 0 JFADRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1Cn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1C(C)(C)C ZINC001291142178 1063219062 /nfs/dbraw/zinc/21/90/62/1063219062.db2.gz ZFAQIFWWOQNADB-APWZRJJASA-N 0 0 485.633 2.878 20 0 JFADRN CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cnccn3)n2CCC2CCC(OC)CC2)CC1 ZINC001295326935 1063218900 /nfs/dbraw/zinc/21/89/00/1063218900.db2.gz HIXJCXVCJJWEPI-UHFFFAOYSA-N 0 0 498.676 2.711 20 0 JFADRN CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccccc3OC)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001295327292 1063221740 /nfs/dbraw/zinc/22/17/40/1063221740.db2.gz QKSUNLJMRDTWPM-NFBKMPQASA-N 0 0 484.645 2.759 20 0 JFADRN CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(Cl)c2)CC1 ZINC001295327286 1063222278 /nfs/dbraw/zinc/22/22/78/1063222278.db2.gz QKCKNOLUURPUBZ-UHFFFAOYSA-N 0 0 485.036 2.761 20 0 JFADRN CCN(CC)C(=O)CN1CCCN(c2nnc(C3CC3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001295327605 1063224832 /nfs/dbraw/zinc/22/48/32/1063224832.db2.gz YWDZJEUVHBLCGD-FYYLOGMGSA-N 0 0 460.667 2.987 20 0 JFADRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCC(N4CCCNC4=O)CC3)cc2)cc1 ZINC001295327942 1063225751 /nfs/dbraw/zinc/22/57/51/1063225751.db2.gz CWRRICJZZSHLFZ-UHFFFAOYSA-N 0 0 455.580 2.989 20 0 JFADRN CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N[C@@H](C)[C@H](O)Cc2ccccc2)cc1 ZINC001295328192 1063226544 /nfs/dbraw/zinc/22/65/44/1063226544.db2.gz KNVHRLDHPPYXEA-JJEOQYAHSA-N 0 0 458.580 2.541 20 0 JFADRN CCN(CC)C(=O)CN1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)OC)CC1 ZINC001295328477 1063227267 /nfs/dbraw/zinc/22/72/67/1063227267.db2.gz IQKMSXVJKYKLAB-NRFANRHFSA-N 0 0 499.660 2.563 20 0 JFADRN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCCNC3=O)CC2)cc1 ZINC001295328889 1063227983 /nfs/dbraw/zinc/22/79/83/1063227983.db2.gz OLYBXEFXEVKXOT-UHFFFAOYSA-N 0 0 456.568 2.816 20 0 JFADRN C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCCS(C)(=O)=O)CC12CCC2 ZINC001291145348 1063228509 /nfs/dbraw/zinc/22/85/09/1063228509.db2.gz GIXWLTGHSFRJEG-SFHVURJKSA-N 0 0 451.637 2.746 20 0 JFADRN CCN(CC)C(=O)CN1CCCN(c2nnc(C(C)C)n2Cc2ccc(NC(C)=O)cc2)CC1 ZINC001295329661 1063229636 /nfs/dbraw/zinc/22/96/36/1063229636.db2.gz UHGAAPXPUCPJOJ-UHFFFAOYSA-N 0 0 469.634 2.789 20 0 JFADRN CCN(CC)C(=O)CN1CCCN(c2nnc(C(C)(C)C)n2CCCN2CCCCCC2=O)CC1 ZINC001295330593 1063230751 /nfs/dbraw/zinc/23/07/51/1063230751.db2.gz ZSFRRGCQMPTJKN-UHFFFAOYSA-N 0 0 489.709 2.749 20 0 JFADRN C[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 ZINC001291146918 1063231967 /nfs/dbraw/zinc/23/19/67/1063231967.db2.gz NKIVZRWIMZQYQL-MAUKXSAKSA-N 0 0 466.007 2.675 20 0 JFADRN CCN(CC)C(=O)CN1CCCN(c2nnc([C@H]3CCCCO3)n2CCc2c(C)noc2C)CC1 ZINC001295333812 1063232916 /nfs/dbraw/zinc/23/29/16/1063232916.db2.gz AXDYCJOCWKKKBE-JOCHJYFZSA-N 0 0 487.649 2.748 20 0 JFADRN C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)NCC(F)(F)F)[C@H]1C ZINC001291147512 1063233118 /nfs/dbraw/zinc/23/31/18/1063233118.db2.gz ZTPGRYAADSLAMO-OLZOCXBDSA-N 0 0 472.899 2.775 20 0 JFADRN C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCOC(C)(C)C2)CC1(C)C ZINC001291147473 1063233228 /nfs/dbraw/zinc/23/32/28/1063233228.db2.gz YXVJLMWHFDUENR-SFHVURJKSA-N 0 0 455.607 2.909 20 0 JFADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)CC2)n1Cc1cn(C)nc1-c1ccccc1 ZINC001291147572 1063233751 /nfs/dbraw/zinc/23/37/51/1063233751.db2.gz ARHRGEYWVQMIPL-QGZVFWFLSA-N 0 0 457.604 2.573 20 0 JFADRN CCN(CC)C(=O)CN1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)c2nccs2)CC1 ZINC001295333909 1063234063 /nfs/dbraw/zinc/23/40/63/1063234063.db2.gz DIRYXXWVCBBPAD-PMACEKPBSA-N 0 0 489.690 2.813 20 0 JFADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001291148234 1063234982 /nfs/dbraw/zinc/23/49/82/1063234982.db2.gz NQXDQKOLJVKQCY-VKJFTORMSA-N 0 0 455.028 2.691 20 0 JFADRN C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCN2CCCS2(=O)=O)[C@@H]1C ZINC001291148973 1063235429 /nfs/dbraw/zinc/23/54/29/1063235429.db2.gz BIKRNOQIHAIIEM-HUUCEWRRSA-N 0 0 468.421 2.978 20 0 JFADRN C[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(Br)c2)n1CCN1CCCS1(=O)=O ZINC001291148974 1063235496 /nfs/dbraw/zinc/23/54/96/1063235496.db2.gz BIKRNOQIHAIIEM-LSDHHAIUSA-N 0 0 468.421 2.978 20 0 JFADRN CCOC(=O)CNC(=O)C1CCN(C(=O)c2cc3sc(N(CC)CC)nc3s2)CC1 ZINC001295334194 1063236241 /nfs/dbraw/zinc/23/62/41/1063236241.db2.gz YRJZUTQZXCYDEZ-UHFFFAOYSA-N 0 0 452.602 2.736 20 0 JFADRN C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCNC(=O)c2ccn[nH]2)C[C@@H]1C ZINC001291150061 1063236979 /nfs/dbraw/zinc/23/69/79/1063236979.db2.gz VMTFKRROINDCMN-KGLIPLIRSA-N 0 0 475.395 2.682 20 0 JFADRN 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C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CC(F)(F)CO2)CCN1C(=O)OC(C)(C)C ZINC001291251280 1063531886 /nfs/dbraw/zinc/53/18/86/1063531886.db2.gz FNSADLSQYNAEQP-PMPSAXMXSA-N 0 0 457.522 2.652 20 0 JFADRN C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@H]2CC(F)(F)CO2)CCN1C(=O)OC(C)(C)C ZINC001291251279 1063531984 /nfs/dbraw/zinc/53/19/84/1063531984.db2.gz FNSADLSQYNAEQP-OWCLPIDISA-N 0 0 457.522 2.652 20 0 JFADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)C2(CC(=O)N3CCOCC3)CCCC2)C1 ZINC001295496608 1063532448 /nfs/dbraw/zinc/53/24/48/1063532448.db2.gz USUNBXKNCPIYIR-QHCPKHFHSA-N 0 0 451.608 2.949 20 0 JFADRN COc1cc(Br)ccc1CCCNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001295500110 1063533417 /nfs/dbraw/zinc/53/34/17/1063533417.db2.gz TXJIXWPOSWAYKS-CHWSQXEVSA-N 0 0 458.296 2.730 20 0 JFADRN C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001291253192 1063535105 /nfs/dbraw/zinc/53/51/05/1063535105.db2.gz FGGKKPZDZNLLKD-BFYDXBDKSA-N 0 0 463.570 2.547 20 0 JFADRN 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C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2C[C@H](F)C2)CCN1C(=O)OC(C)(C)C ZINC001291254225 1063539400 /nfs/dbraw/zinc/53/94/00/1063539400.db2.gz RAAUBKVRXFNQQE-FJIDUMEYSA-N 0 0 485.626 2.764 20 0 JFADRN C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[S@](=O)C(C)(C)C)Cc2ccccc2O1 ZINC001291254587 1063539774 /nfs/dbraw/zinc/53/97/74/1063539774.db2.gz WJEAOSVEXSICSZ-YSZKKOMBSA-N 0 0 480.656 2.515 20 0 JFADRN C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC(F)(F)F)C[C@H]1C ZINC001291254487 1063539824 /nfs/dbraw/zinc/53/98/24/1063539824.db2.gz VATQWKNFLNUFBI-LZWOXQAQSA-N 0 0 473.521 2.657 20 0 JFADRN C[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2=CCCOC2)C[C@H](C)O1 ZINC001291254903 1063541430 /nfs/dbraw/zinc/54/14/30/1063541430.db2.gz AKINFKZKGAMTGV-ZIFCJYIRSA-N 0 0 463.579 2.547 20 0 JFADRN C[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccncc2)C[C@@H](C)O1 ZINC001291255205 1063542790 /nfs/dbraw/zinc/54/27/90/1063542790.db2.gz FWARMHBEWXFLFZ-QWFCFKBJSA-N 0 0 472.590 2.838 20 0 JFADRN C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC(=O)N(C)Cc2ccccc2)C[C@@]2(CCOC2)O1 ZINC001291255444 1063543163 /nfs/dbraw/zinc/54/31/63/1063543163.db2.gz IORVZDZAGDQWFG-KBMIEXCESA-N 0 0 455.603 2.910 20 0 JFADRN C[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2OCCC2(C)C)CCO1 ZINC001291255345 1063543327 /nfs/dbraw/zinc/54/33/27/1063543327.db2.gz HIEWYRVZCHHNGO-SQNIBIBYSA-N 0 0 465.595 2.627 20 0 JFADRN CCCOc1c(Br)cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2O)cc1OC ZINC001295508038 1063543561 /nfs/dbraw/zinc/54/35/61/1063543561.db2.gz CPSBJRKAAXMBEF-UHFFFAOYSA-N 0 0 459.318 2.852 20 0 JFADRN C[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2([S@](C)=O)CCC2)CCCO1 ZINC001291255469 1063543711 /nfs/dbraw/zinc/54/37/11/1063543711.db2.gz IUFZPIFEUDBKKQ-SBKKAIJHSA-N 0 0 497.662 2.503 20 0 JFADRN C[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCO2)CCS1 ZINC001291255525 1063544149 /nfs/dbraw/zinc/54/41/49/1063544149.db2.gz JGWIMMYUYLOIMM-ZACQAIPSSA-N 0 0 453.609 2.707 20 0 JFADRN C[C@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2=CCCCC2)CC(=O)N1C ZINC001291255839 1063545326 /nfs/dbraw/zinc/54/53/26/1063545326.db2.gz MQSDYPYOMHBQHP-HKUYNNGSSA-N 0 0 474.606 2.754 20 0 JFADRN C[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2nccs2)C[C@H](C)O1 ZINC001291255837 1063545357 /nfs/dbraw/zinc/54/53/57/1063545357.db2.gz MQHCSOJJCUOIHD-OWCLPIDISA-N 0 0 464.592 2.705 20 0 JFADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCC2(F)F)C[C@@H](C)S1 ZINC001291255923 1063546234 /nfs/dbraw/zinc/54/62/34/1063546234.db2.gz NMECNOXGCFZIPN-NCOADZHNSA-N 0 0 493.646 2.767 20 0 JFADRN C[C@H]1CN(c2nnc(CC(C)(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)C[C@H](C)O1 ZINC001291256076 1063546639 /nfs/dbraw/zinc/54/66/39/1063546639.db2.gz PNNLSIVIFZNYDI-PMACEKPBSA-N 0 0 454.619 2.829 20 0 JFADRN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCSC(F)(F)F)[C@H]2CCCC[C@H]12 ZINC001291256002 1063546714 /nfs/dbraw/zinc/54/67/14/1063546714.db2.gz OOAGOAVHRKKEGN-WCVJEAGWSA-N 0 0 497.609 2.879 20 0 JFADRN C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)c2cccs2)C[C@@H](C)S1 ZINC001291256201 1063547231 /nfs/dbraw/zinc/54/72/31/1063547231.db2.gz QZKUPCDMBIBEFV-BRWVUGGUSA-N 0 0 499.728 2.981 20 0 JFADRN C[C@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCCCO)CCCO1 ZINC001291256416 1063548112 /nfs/dbraw/zinc/54/81/12/1063548112.db2.gz ULGTYBXUPJQTNS-OALUTQOASA-N 0 0 467.611 2.754 20 0 JFADRN O=C(c1cccc(I)c1[O-])N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001295515605 1063549618 /nfs/dbraw/zinc/54/96/18/1063549618.db2.gz YUWSHLKOOJFRIY-UHFFFAOYSA-N 0 0 458.340 2.961 20 0 JFADRN C[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccnc(OCC(F)(F)F)c2)CC(=O)N1C ZINC001291256865 1063549918 /nfs/dbraw/zinc/54/99/18/1063549918.db2.gz AUIQBSFCCPAILO-AWEZNQCLSA-N 0 0 454.497 2.918 20 0 JFADRN C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)Cc2ccccc2)C[C@@]2(CCOC2)O1 ZINC001291258770 1063551633 /nfs/dbraw/zinc/55/16/33/1063551633.db2.gz HMAOTHCBLCIGDJ-YADARESESA-N 0 0 476.643 2.866 20 0 JFADRN C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)Cc2ccccc2)C[C@]2(CCOC2)O1 ZINC001291258768 1063551695 /nfs/dbraw/zinc/55/16/95/1063551695.db2.gz HMAOTHCBLCIGDJ-DVECYGJZSA-N 0 0 476.643 2.866 20 0 JFADRN C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCn2cc(Br)cn2)C[C@H]1N1CCOCC1 ZINC001291259353 1063552191 /nfs/dbraw/zinc/55/21/91/1063552191.db2.gz QSQVEKQUMLUWIN-FUHWJXTLSA-N 0 0 480.455 2.683 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)N(C)C)C[C@H](C(F)(F)F)O1 ZINC001291259910 1063553514 /nfs/dbraw/zinc/55/35/14/1063553514.db2.gz ALIGDJAUOANHEL-BLLLJJGKSA-N 0 0 461.435 2.781 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 ZINC001291260020 1063553920 /nfs/dbraw/zinc/55/39/20/1063553920.db2.gz CLTLBXLRWXKHRS-KBXCAEBGSA-N 0 0 475.462 2.635 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@](C)(O)c2cccs2)CC(=O)N1C ZINC001291260163 1063554490 /nfs/dbraw/zinc/55/44/90/1063554490.db2.gz FPDBAAZNRRWADZ-PEBXRYMYSA-N 0 0 461.538 2.783 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCS(=O)(=O)C2)CCCO1 ZINC001291260294 1063554933 /nfs/dbraw/zinc/55/49/33/1063554933.db2.gz HDBABNDTYSSUQC-HZPDHXFCSA-N 0 0 454.543 2.587 20 0 JFADRN C[C@@H]1OCC[C@]12CN(c1nnc(Cc3ccc(Cl)cc3)n1CC(=O)NCC(F)F)C[C@@H](C)O2 ZINC001291261033 1063555285 /nfs/dbraw/zinc/55/52/85/1063555285.db2.gz TUUZNUVYCMATAZ-GTQRCTGISA-N 0 0 483.947 2.676 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCn2cncn2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291261321 1063556127 /nfs/dbraw/zinc/55/61/27/1063556127.db2.gz ZADXBFALPWTJRG-HNAYVOBHSA-N 0 0 488.543 2.788 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2COCCO2)CCN1C(=O)OC(C)(C)C ZINC001291261508 1063557323 /nfs/dbraw/zinc/55/73/23/1063557323.db2.gz CPBAJILYCGOAON-PXNSSMCTSA-N 0 0 475.565 2.869 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC(=O)NCC2CC2)CCN1CC(F)(F)F ZINC001291261721 1063557352 /nfs/dbraw/zinc/55/73/52/1063557352.db2.gz GSUCOUVZXKGDOD-HNNXBMFYSA-N 0 0 468.499 2.607 20 0 JFADRN 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C[C@@H]1OCC[C@]12CN(c1nnc(Cc3ccncc3)n1CCOCC(F)(F)C(F)F)C[C@@H](C)O2 ZINC001291267268 1063570626 /nfs/dbraw/zinc/57/06/26/1063570626.db2.gz CAINBKYUHKKDKA-XFQAVAEZSA-N 0 0 487.498 2.954 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCC(=O)NC2CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291267960 1063571622 /nfs/dbraw/zinc/57/16/22/1063571622.db2.gz NGTZMNVVBFBXPT-XLIONFOSSA-N 0 0 483.617 2.672 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCC(=O)NC2CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291267959 1063571636 /nfs/dbraw/zinc/57/16/36/1063571636.db2.gz NGTZMNVVBFBXPT-PXNSSMCTSA-N 0 0 483.617 2.672 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCNC(=O)OC(C)(C)C)CCN1CC(F)(F)F ZINC001291268138 1063572421 /nfs/dbraw/zinc/57/24/21/1063572421.db2.gz QKCDZNTWJXPJQO-MRXNPFEDSA-N 0 0 483.539 2.861 20 0 JFADRN CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001295536338 1063573009 /nfs/dbraw/zinc/57/30/09/1063573009.db2.gz MVEWELBOTZODQU-SVHPSLOZSA-N 0 0 465.591 2.870 20 0 JFADRN C[C@H](O)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)NCCOc3ccccc3)ccc2Cl)C1 ZINC001295537439 1063573216 /nfs/dbraw/zinc/57/32/16/1063573216.db2.gz ZWTVXVSQBWIXIP-JKSUJKDBSA-N 0 0 452.960 2.540 20 0 JFADRN Cc1cc(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cnc1Br ZINC001295539586 1063574557 /nfs/dbraw/zinc/57/45/57/1063574557.db2.gz YEWODGFEFIOVCA-OAHLLOKOSA-N 0 0 454.346 2.862 20 0 JFADRN C[C@@H]1CN(c2nnc(CC3CC3)n2CC[C@@H](C(F)F)N2CCOCC2)CCN1CC(F)(F)F ZINC001291270084 1063575873 /nfs/dbraw/zinc/57/58/73/1063575873.db2.gz ATSSIRIXLFTAAK-WBVHZDCISA-N 0 0 480.526 2.659 20 0 JFADRN C[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291271763 1063576780 /nfs/dbraw/zinc/57/67/80/1063576780.db2.gz GOUJCWFJQWMBHJ-NEWSRXKRSA-N 0 0 481.663 2.795 20 0 JFADRN Cc1cc(NC(=O)C[C@H](C)NS(=O)(=O)c2cccnc2Cl)ccc1N1CCOCC1 ZINC001295542830 1063577504 /nfs/dbraw/zinc/57/75/04/1063577504.db2.gz CJJMIJSJCIBTHD-HNNXBMFYSA-N 0 0 452.964 2.576 20 0 JFADRN C[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC(=O)N1C ZINC001291273171 1063577620 /nfs/dbraw/zinc/57/76/20/1063577620.db2.gz DQMSMIKZIHTCRI-IEBWSBKVSA-N 0 0 464.536 2.614 20 0 JFADRN C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC2(NC(=O)OC(C)(C)C)COC2)C[C@H](C)O1 ZINC001291274945 1063581381 /nfs/dbraw/zinc/58/13/81/1063581381.db2.gz KHKAREDTIGKNRM-OALUTQOASA-N 0 0 487.601 2.807 20 0 JFADRN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCC(=O)OCc1ccc(Cl)cc1 ZINC001295546708 1063582242 /nfs/dbraw/zinc/58/22/42/1063582242.db2.gz WGVMQESUPMPRPV-UHFFFAOYSA-N 0 0 456.973 2.588 20 0 JFADRN C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCCS(C)(=O)=O)C[C@]2(CCCOC2)O1 ZINC001291275696 1063583840 /nfs/dbraw/zinc/58/38/40/1063583840.db2.gz XCJVGTPGMOSODH-YKSBVNFPSA-N 0 0 476.643 2.662 20 0 JFADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(I)cc2)CCCO1 ZINC001291276618 1063587068 /nfs/dbraw/zinc/58/70/68/1063587068.db2.gz OWCOVUHTERYCEC-OAHLLOKOSA-N 0 0 495.365 2.669 20 0 JFADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3(c4ncon4)CCOCC3)ccc2C)c1 ZINC001295556794 1063590314 /nfs/dbraw/zinc/59/03/14/1063590314.db2.gz IBQQWPXPKVMJBX-UHFFFAOYSA-N 0 0 456.524 2.923 20 0 JFADRN C[C@H](O)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001291277639 1063592379 /nfs/dbraw/zinc/59/23/79/1063592379.db2.gz HIAVOKAXRWLMGI-ZACQAIPSSA-N 0 0 455.584 2.985 20 0 JFADRN C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)CC(C)(C)C1)N1CCOCC1 ZINC001291277796 1063593235 /nfs/dbraw/zinc/59/32/35/1063593235.db2.gz KDIQIRXXHZQXMR-ZWKOTPCHSA-N 0 0 460.648 2.863 20 0 JFADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)c2ccc(F)cc2)CCO1 ZINC001291277991 1063593685 /nfs/dbraw/zinc/59/36/85/1063593685.db2.gz OCBSDFJWQJJELH-QRQCRPRQSA-N 0 0 459.547 2.542 20 0 JFADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCO2)CCN1CC(F)(F)F ZINC001291278104 1063594602 /nfs/dbraw/zinc/59/46/02/1063594602.db2.gz PVJBRWOHCSVNGI-HUUCEWRRSA-N 0 0 472.537 2.521 20 0 JFADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccnc(OC(F)F)c2)CCCO1 ZINC001291278299 1063595013 /nfs/dbraw/zinc/59/50/13/1063595013.db2.gz SOWAWJQJPRRBNL-CQSZACIVSA-N 0 0 478.525 2.930 20 0 JFADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCNC(=O)C2CCC2)CC(C)(C)O1 ZINC001291278331 1063595094 /nfs/dbraw/zinc/59/50/94/1063595094.db2.gz UEBPULMTVYLFQQ-MRXNPFEDSA-N 0 0 474.631 2.580 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2COCCO2)C[C@H](C)O1 ZINC001291278437 1063595526 /nfs/dbraw/zinc/59/55/26/1063595526.db2.gz VUYFTKWAEWQGKJ-DAYGRLMNSA-N 0 0 467.364 2.649 20 0 JFADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2nccc(C(F)F)n2)CCCO1 ZINC001291278518 1063596080 /nfs/dbraw/zinc/59/60/80/1063596080.db2.gz XJHLWCIYYUYGLG-CYBMUJFWSA-N 0 0 463.514 2.661 20 0 JFADRN C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2nccc(C(F)F)n2)CCCO1 ZINC001291278519 1063596405 /nfs/dbraw/zinc/59/64/05/1063596405.db2.gz XJHLWCIYYUYGLG-ZDUSSCGKSA-N 0 0 463.514 2.661 20 0 JFADRN O=C(c1cncc(OCC(F)F)c1)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC001295565110 1063598422 /nfs/dbraw/zinc/59/84/22/1063598422.db2.gz DZONNIMHECXKIT-NRFANRHFSA-N 0 0 458.509 2.675 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(=O)N2CCOCC2)CCCO1 ZINC001291279255 1063598446 /nfs/dbraw/zinc/59/84/46/1063598446.db2.gz LKTDIEZIMQVGAZ-IBGZPJMESA-N 0 0 471.602 2.629 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCn2ccnn2)CC(=O)N1C ZINC001291280531 1063603245 /nfs/dbraw/zinc/60/32/45/1063603245.db2.gz IFCAKOHYWXOTOB-AWEZNQCLSA-N 0 0 479.372 2.513 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC2CCS(=O)(=O)CC2)CCS1 ZINC001291280545 1063603354 /nfs/dbraw/zinc/60/33/54/1063603354.db2.gz IKTSRNOINBCZTK-HNNXBMFYSA-N 0 0 454.593 2.763 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC(=O)N1C ZINC001291280661 1063604196 /nfs/dbraw/zinc/60/41/96/1063604196.db2.gz KBSBKGLKIBNECU-HZPDHXFCSA-N 0 0 484.498 2.547 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2Cc2cnn(C)c2)CCN1CC(F)(F)F ZINC001291280866 1063604798 /nfs/dbraw/zinc/60/47/98/1063604798.db2.gz NEPJOZDTPSWWCE-HNNXBMFYSA-N 0 0 467.471 2.851 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCOC2)C[C@H](C)O1 ZINC001291281050 1063606331 /nfs/dbraw/zinc/60/63/31/1063606331.db2.gz PRGMOGIVDAWCBU-MNVSYLFESA-N 0 0 457.358 2.929 20 0 JFADRN O=C(C[C@@H]1CC[C@@H](C(F)(F)F)O1)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC001295570425 1063606849 /nfs/dbraw/zinc/60/68/49/1063606849.db2.gz PKQDVEMFMUSACF-ZCNNSNEGSA-N 0 0 453.505 2.822 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCNC(=O)c2ccn[nH]2)C[C@H](C)O1 ZINC001291281224 1063606989 /nfs/dbraw/zinc/60/69/89/1063606989.db2.gz STVYUQPYBRWEMJ-OKILXGFUSA-N 0 0 494.383 2.931 20 0 JFADRN CC(C)Cc1cc(C(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)cc(=O)[nH]1 ZINC001295571119 1063607495 /nfs/dbraw/zinc/60/74/95/1063607495.db2.gz TXAPVPIRAUSNJM-HSZRJFAPSA-N 0 0 450.583 2.935 20 0 JFADRN Cc1noc(C(F)(F)F)c1C(=O)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC001295571117 1063607521 /nfs/dbraw/zinc/60/75/21/1063607521.db2.gz TVHHDNUZANXINO-KRWDZBQOSA-N 0 0 450.461 2.951 20 0 JFADRN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC001295571123 1063608199 /nfs/dbraw/zinc/60/81/99/1063608199.db2.gz TXCVKHWGRDGSOL-VSKRKVRLSA-N 0 0 455.599 2.690 20 0 JFADRN CC(C)C(=O)NCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001291281894 1063610227 /nfs/dbraw/zinc/61/02/27/1063610227.db2.gz GDIXJGUENQUJHO-QZTZHPFYSA-N 0 0 475.565 2.541 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCCNC(=O)OC(C)(C)C)CC(=O)N1C ZINC001291281858 1063610243 /nfs/dbraw/zinc/61/02/43/1063610243.db2.gz FNTNQKOLJDROMH-QGZVFWFLSA-N 0 0 490.580 2.968 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCCS2(=O)=O)C[C@@H](C)O1 ZINC001291281904 1063610987 /nfs/dbraw/zinc/61/09/87/1063610987.db2.gz GHXCLRKYFCYTEC-ZACQAIPSSA-N 0 0 452.552 2.577 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@H]1C ZINC001291282387 1063613437 /nfs/dbraw/zinc/61/34/37/1063613437.db2.gz OPWRRBPUVHHXCM-IXDOHACOSA-N 0 0 451.568 2.512 20 0 JFADRN CCN(Cc1c(F)cccc1F)c1nnc(-c2cnccn2)n1CC(=O)NCc1ccco1 ZINC001295575210 1063613850 /nfs/dbraw/zinc/61/38/50/1063613850.db2.gz LRGAGWGFMWZFJP-UHFFFAOYSA-N 0 0 453.453 2.949 20 0 JFADRN CCN(Cc1c(F)cccc1F)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1ccco1 ZINC001295575300 1063613864 /nfs/dbraw/zinc/61/38/64/1063613864.db2.gz NEJZRBXXDWOTKD-UHFFFAOYSA-N 0 0 460.485 2.744 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccccc3F)n2CC2(O)CC2)CCN1C(=O)OC(C)(C)C ZINC001291282618 1063614156 /nfs/dbraw/zinc/61/41/56/1063614156.db2.gz SMHWYUXVZSXRHU-INIZCTEOSA-N 0 0 461.538 2.967 20 0 JFADRN CCN(Cc1c(F)cccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2ccnc2C1 ZINC001295576075 1063614539 /nfs/dbraw/zinc/61/45/39/1063614539.db2.gz PFEDUWLBOJURMW-HOTGVXAUSA-N 0 0 493.584 2.652 20 0 JFADRN CCN(Cc1c(F)cccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[S@](=O)C(C)(C)C ZINC001295577333 1063615581 /nfs/dbraw/zinc/61/55/81/1063615581.db2.gz YKRTZIDIALBBPB-YSVRNHBLSA-N 0 0 491.630 2.740 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCOC2=O)C[C@H](C(F)(F)F)O1 ZINC001291282979 1063615676 /nfs/dbraw/zinc/61/56/76/1063615676.db2.gz ZEEFYFIEZYMQJL-RHSMWYFYSA-N 0 0 487.454 2.995 20 0 JFADRN C[C@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOCCS(C)(=O)=O)C[C@H]1C ZINC001291283051 1063616364 /nfs/dbraw/zinc/61/63/64/1063616364.db2.gz AKHWYQZHODEFMP-KSZLIROESA-N 0 0 485.651 2.504 20 0 JFADRN C[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nccn2C(F)F)CC(=O)N1C ZINC001291283182 1063616986 /nfs/dbraw/zinc/61/69/86/1063616986.db2.gz CIJGCYPJLREJRT-JJRVBVJISA-N 0 0 451.522 2.504 20 0 JFADRN C[C@@H]1OCC[C@@]1(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001291283332 1063617103 /nfs/dbraw/zinc/61/71/03/1063617103.db2.gz FMIKSJKZIMRTGL-SOWBTEIWSA-N 0 0 465.595 2.504 20 0 JFADRN C[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[C@@H]2COCCO2)CC(=O)N1C ZINC001291283590 1063618830 /nfs/dbraw/zinc/61/88/30/1063618830.db2.gz JEUJDXNMRGRSNY-NVXWUHKLSA-N 0 0 466.007 2.696 20 0 JFADRN 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CCn1cnnc1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(CC(N)=O)CC1 ZINC001295953819 1064005556 /nfs/dbraw/zinc/00/55/56/1064005556.db2.gz IVEKTLSKOKLZMN-UHFFFAOYSA-N 0 0 491.369 2.598 20 0 JFADRN CC[C@H](C)[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1)OC ZINC001291423451 1064005511 /nfs/dbraw/zinc/00/55/11/1064005511.db2.gz LXPRCGUFVTVLHG-KPDCDPCYSA-N 0 0 468.602 2.753 20 0 JFADRN CCn1cnnc1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001295956626 1064007574 /nfs/dbraw/zinc/00/75/74/1064007574.db2.gz XWXFIOGNOLNKSQ-OAHLLOKOSA-N 0 0 456.620 2.754 20 0 JFADRN CC[C@H](C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1)OC ZINC001291424565 1064007724 /nfs/dbraw/zinc/00/77/24/1064007724.db2.gz ZBZOGSYBRSBVRC-PIBDYAPNSA-N 0 0 455.603 2.868 20 0 JFADRN CC[C@H](C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1)OC ZINC001291424564 1064007786 /nfs/dbraw/zinc/00/77/86/1064007786.db2.gz ZBZOGSYBRSBVRC-OWHZGTRUSA-N 0 0 455.603 2.868 20 0 JFADRN CCn1cnnc1Cn1c(-c2ccc(Br)s2)nnc1N(C)CCc1cnccn1 ZINC001295959380 1064008730 /nfs/dbraw/zinc/00/87/30/1064008730.db2.gz FDSXIWDJFZVEAA-UHFFFAOYSA-N 0 0 474.392 2.898 20 0 JFADRN CC[C@H](C)[C@@H](Cn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1)OC ZINC001291425995 1064008797 /nfs/dbraw/zinc/00/87/97/1064008797.db2.gz SQAZPHFZLJFDFT-JENIJYKNSA-N 0 0 474.631 2.854 20 0 JFADRN CC[C@H](C)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)OC ZINC001291426451 1064009476 /nfs/dbraw/zinc/00/94/76/1064009476.db2.gz YGIWEXVIOBCSTL-FXAWDEMLSA-N 0 0 483.610 2.529 20 0 JFADRN CCn1cnnc1Cn1c(-c2cccnc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001295960148 1064009729 /nfs/dbraw/zinc/00/97/29/1064009729.db2.gz KBKMTKLZKHSOQW-IBGZPJMESA-N 0 0 450.469 2.530 20 0 JFADRN CC[C@H](C)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)OC ZINC001291426609 1064009814 /nfs/dbraw/zinc/00/98/14/1064009814.db2.gz ZWXRQLUWJKULQO-VDZJLULYSA-N 0 0 454.568 2.681 20 0 JFADRN 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/nfs/dbraw/zinc/50/74/89/1065507489.db2.gz PUARCCLOTBNAHX-OAHLLOKOSA-N 0 0 456.572 2.600 20 0 JFADRN CCC[C@@H](NC(=O)CCCCn1cnc2c1ncnc2N)C(=O)N1CCc2sccc2C1 ZINC001292751744 1065507811 /nfs/dbraw/zinc/50/78/11/1065507811.db2.gz UYRJABCJXZLDFM-MRXNPFEDSA-N 0 0 455.588 2.510 20 0 JFADRN CCc1nc(CN2CCN(c3nnc(C(=O)N4CCCC4)n3CCC(C)(F)F)CC2)cs1 ZINC001292752924 1065508710 /nfs/dbraw/zinc/50/87/10/1065508710.db2.gz FIBFEPOPTMKJRY-UHFFFAOYSA-N 0 0 467.590 2.901 20 0 JFADRN CCc1nc(CN2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CC[C@@H](F)C3)CC2)cs1 ZINC001292753335 1065509014 /nfs/dbraw/zinc/50/90/14/1065509014.db2.gz LEGMDVGKWOFSPH-IAGOWNOFSA-N 0 0 463.627 2.896 20 0 JFADRN CCc1nn(C)c(CC)c1Cn1c(C(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC001292756390 1065512716 /nfs/dbraw/zinc/51/27/16/1065512716.db2.gz GLENAYCEPYSXDL-UHFFFAOYSA-N 0 0 480.617 2.850 20 0 JFADRN CCc1nn(C)c(CC)c1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001292756480 1065512732 /nfs/dbraw/zinc/51/27/32/1065512732.db2.gz 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/nfs/dbraw/zinc/52/19/78/1065521978.db2.gz QHYQQSGDMYKOHJ-UHFFFAOYSA-N 0 0 465.602 2.952 20 0 JFADRN CCc1nn(C)c(CC)c1Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001292767668 1065522250 /nfs/dbraw/zinc/52/22/50/1065522250.db2.gz VEPYCXOVQDIHDA-HOTGVXAUSA-N 0 0 471.631 2.790 20 0 JFADRN CCc1nn(C)c(CC)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)(F)C1 ZINC001292768295 1065523080 /nfs/dbraw/zinc/52/30/80/1065523080.db2.gz QICHUKOIFLMDID-OAHLLOKOSA-N 0 0 470.590 2.568 20 0 JFADRN CCc1nn(C)c(Cl)c1CN1CCN(c2nnc([C@H](C)CC)n2CC[S@@](=O)CC)CC1 ZINC001292768501 1065523517 /nfs/dbraw/zinc/52/35/17/1065523517.db2.gz BBRIZLASYMGHLV-MKTHODDLSA-N 0 0 470.087 2.832 20 0 JFADRN CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC001292771256 1065527352 /nfs/dbraw/zinc/52/73/52/1065527352.db2.gz AVZWVXIDCPWGHL-KBARZSOFSA-N 0 0 467.364 2.934 20 0 JFADRN CCc1nn(C)c(OC)c1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC001292772801 1065529841 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VIZQAUZUSAYARJ-CVEARBPZSA-N 0 0 485.564 2.612 20 0 JFADRN CCc1nn(C)c(OC)c1Cn1c(-c2ccccc2Cl)nnc1N(C)CCN1CCOCC1 ZINC001292775539 1065534062 /nfs/dbraw/zinc/53/40/62/1065534062.db2.gz DCGMKEDCFJODJS-UHFFFAOYSA-N 0 0 474.009 2.720 20 0 JFADRN CCc1nn(C)c(OC)c1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001292775827 1065534131 /nfs/dbraw/zinc/53/41/31/1065534131.db2.gz DWWJDXFXONKLID-INIZCTEOSA-N 0 0 468.606 2.757 20 0 JFADRN CCc1nn(C)c(OC)c1Cn1c(-c2ccccc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001292775835 1065534408 /nfs/dbraw/zinc/53/44/08/1065534408.db2.gz FGDLLWKMJGPUAJ-UHFFFAOYSA-N 0 0 465.602 2.993 20 0 JFADRN CCc1nn(C)c(OC)c1Cn1c(-c2ccccc2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001292775876 1065534438 /nfs/dbraw/zinc/53/44/38/1065534438.db2.gz GSETYTWQRWZYAQ-LJQANCHMSA-N 0 0 465.602 2.911 20 0 JFADRN CCc1nn(C)c(OC)c1Cn1c(-c2cccn2C)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001292775877 1065534516 /nfs/dbraw/zinc/53/45/16/1065534516.db2.gz GTHAKLXDDLOAGB-UHFFFAOYSA-N 0 0 498.632 2.941 20 0 JFADRN CCc1nn(C)c(OC)c1Cn1c(-c2ccccc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001292776445 1065535817 /nfs/dbraw/zinc/53/58/17/1065535817.db2.gz PKQJKAGTSOARQJ-GOSISDBHSA-N 0 0 472.615 2.701 20 0 JFADRN CCc1nn(C)c(OC)c1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001292776224 1065535890 /nfs/dbraw/zinc/53/58/90/1065535890.db2.gz OSNQGOGUAFHDRZ-UHFFFAOYSA-N 0 0 495.609 2.733 20 0 JFADRN CCc1nn(C)c(OC)c1Cn1c(-c2ccccc2OC)nnc1N(C)CCc1cnccn1 ZINC001292776801 1065536385 /nfs/dbraw/zinc/53/63/85/1065536385.db2.gz SPBVRDPJUHFTOK-UHFFFAOYSA-N 0 0 462.558 2.775 20 0 JFADRN CCc1nn(C)c(OC)c1Cn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC001292777860 1065537892 /nfs/dbraw/zinc/53/78/92/1065537892.db2.gz NUMKFAROSWIKEQ-GOSISDBHSA-N 0 0 457.623 2.572 20 0 JFADRN CCc1nn(C)c(OC)c1Cn1c([C@@H]2CCOC2)nnc1N(C)CCOc1cccc(C)c1 ZINC001292777990 1065537908 /nfs/dbraw/zinc/53/79/08/1065537908.db2.gz PMZSEOPRVPLLTH-GOSISDBHSA-N 0 0 454.575 2.958 20 0 JFADRN CCc1nn(C)c(OC)c1Cn1c(CC(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 ZINC001292778577 1065538663 /nfs/dbraw/zinc/53/86/63/1065538663.db2.gz VVRDKOYEFPONJZ-UHFFFAOYSA-N 0 0 472.663 2.917 20 0 JFADRN CS(=O)(=O)N1CCC(CC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)CC1 ZINC001292780252 1065539489 /nfs/dbraw/zinc/53/94/89/1065539489.db2.gz ZLMVBWMSZSOXAW-HXUWFJFHSA-N 0 0 453.992 2.676 20 0 JFADRN CCc1nn(C)c(OC)c1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001292780641 1065540355 /nfs/dbraw/zinc/54/03/55/1065540355.db2.gz GUOGJKUZNHRQNE-QGZVFWFLSA-N 0 0 486.020 2.838 20 0 JFADRN CCc1nn(C)c(OC)c1Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](OC)C1 ZINC001292782309 1065542031 /nfs/dbraw/zinc/54/20/31/1065542031.db2.gz CKZNJHANBPOXBH-MRXNPFEDSA-N 0 0 458.538 2.964 20 0 JFADRN CCc1nn(C)c(OC)c1Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001292782474 1065542384 /nfs/dbraw/zinc/54/23/84/1065542384.db2.gz FJFQYMQHQGWRSQ-GOSISDBHSA-N 0 0 482.585 2.826 20 0 JFADRN CCc1nnc(Cn2c(-c3ccc(Br)cc3)nnc2N(C)C[C@@H](C)C(=O)NC)s1 ZINC001292784838 1065546203 /nfs/dbraw/zinc/54/62/03/1065546203.db2.gz GHCOMLDLHHCLKA-GFCCVEGCSA-N 0 0 478.420 2.988 20 0 JFADRN CCc1nnc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CC(=O)N(C)[C@@H](C)C2)s1 ZINC001292785115 1065546572 /nfs/dbraw/zinc/54/65/72/1065546572.db2.gz FUXPVSGOGTUAEE-KBPBESRZSA-N 0 0 459.551 2.686 20 0 JFADRN CCc1nnc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)s1 ZINC001292785522 1065546979 /nfs/dbraw/zinc/54/69/79/1065546979.db2.gz HTGKOQKOPQGSNV-ZDUSSCGKSA-N 0 0 496.519 2.935 20 0 JFADRN CCc1nnc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC001292785712 1065547981 /nfs/dbraw/zinc/54/79/81/1065547981.db2.gz JFQTVDGIHGUYNN-ZDUSSCGKSA-N 0 0 497.551 2.935 20 0 JFADRN CCc1nnc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)c2cc(F)ccc2F)s1 ZINC001292786217 1065548297 /nfs/dbraw/zinc/54/82/97/1065548297.db2.gz KLEYFRIUQYTDMZ-VXGBXAGGSA-N 0 0 485.586 2.826 20 0 JFADRN CCc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)c2cc(F)ccc2F)s1 ZINC001292786214 1065548348 /nfs/dbraw/zinc/54/83/48/1065548348.db2.gz KLEYFRIUQYTDMZ-NWDGAFQWSA-N 0 0 485.586 2.826 20 0 JFADRN CCc1nnc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC(F)F)cc2)s1 ZINC001292791537 1065553043 /nfs/dbraw/zinc/55/30/43/1065553043.db2.gz LIVKRDMSRKLUCI-CQSZACIVSA-N 0 0 463.514 2.929 20 0 JFADRN CCc1nnc(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC(=O)N(C)C[C@@H]2C)s1 ZINC001292790978 1065553054 /nfs/dbraw/zinc/55/30/54/1065553054.db2.gz ZFGHRFQHQDKFMB-LBPRGKRZSA-N 0 0 461.979 2.736 20 0 JFADRN CCc1nnc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CCC(=O)N(CC)CC)CC2)s1 ZINC001292792612 1065554024 /nfs/dbraw/zinc/55/40/24/1065554024.db2.gz VOZNHQYRHBVGNZ-QGZVFWFLSA-N 0 0 488.662 2.556 20 0 JFADRN CCc1nnc(Cn2c(Cc3csc(C)n3)nnc2N2CCN(CC(F)(F)F)CC2)s1 ZINC001292795246 1065555288 /nfs/dbraw/zinc/55/52/88/1065555288.db2.gz WRHSVVBTZNPOFS-UHFFFAOYSA-N 0 0 472.566 2.780 20 0 JFADRN CCc1nnc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)s1 ZINC001292796971 1065556959 /nfs/dbraw/zinc/55/69/59/1065556959.db2.gz WEEXHCUIPWBHAA-CABCVRRESA-N 0 0 463.608 2.595 20 0 JFADRN CCc1nnc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCS(=O)(=O)CC2)s1 ZINC001292797460 1065557877 /nfs/dbraw/zinc/55/78/77/1065557877.db2.gz CCERFKVMDQMUEQ-UHFFFAOYSA-N 0 0 490.655 2.852 20 0 JFADRN CCc1nnc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](CC(N)=O)C2)s1 ZINC001292802696 1065560418 /nfs/dbraw/zinc/56/04/18/1065560418.db2.gz HLIBMGDTOYVSCT-QMTMVMCOSA-N 0 0 461.636 2.751 20 0 JFADRN CCc1nnc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](CC(N)=O)C2)s1 ZINC001292802697 1065560454 /nfs/dbraw/zinc/56/04/54/1065560454.db2.gz HLIBMGDTOYVSCT-SPYBWZPUSA-N 0 0 461.636 2.751 20 0 JFADRN CCc1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1C[C@@H](c1ccccc1OC)N1CCCC1 ZINC001292804025 1065561410 /nfs/dbraw/zinc/56/14/10/1065561410.db2.gz XGLMKCGSXANEKB-GGPKGHCWSA-N 0 0 463.648 2.944 20 0 JFADRN CCn1c(CCNC(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)nc2ccccc21 ZINC001292816809 1065565657 /nfs/dbraw/zinc/56/56/57/1065565657.db2.gz QSBUHFNQPKMXFR-KBMIEXCESA-N 0 0 450.539 2.877 20 0 JFADRN CCc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC001292817038 1065566114 /nfs/dbraw/zinc/56/61/14/1065566114.db2.gz NXIHMFOMMYJIJJ-KRWDZBQOSA-N 0 0 479.647 2.597 20 0 JFADRN CCc1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1CCCN1CCCCC1=O ZINC001292825505 1065567550 /nfs/dbraw/zinc/56/75/50/1065567550.db2.gz OSHFJIBQARGLRK-LJQANCHMSA-N 0 0 460.648 2.814 20 0 JFADRN CC(C)OCCCNC(=O)C1CCN(C(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)CC1 ZINC001292826908 1065568041 /nfs/dbraw/zinc/56/80/41/1065568041.db2.gz PENBHZACFPUZRW-JOCHJYFZSA-N 0 0 459.587 2.958 20 0 JFADRN CC(C)C[C@@H](CC(=O)Nc1cc(C(=O)NCCC(N)=O)ccc1F)NC(=O)OC(C)(C)C ZINC001292830360 1065568936 /nfs/dbraw/zinc/56/89/36/1065568936.db2.gz ITFFBNUCUURLNE-HNNXBMFYSA-N 0 0 452.527 2.699 20 0 JFADRN Cc1nc(CN2CCN(C(=O)c3nnn(-c4ccccc4F)c3C(F)(F)F)CC2)oc1C ZINC001292830806 1065569330 /nfs/dbraw/zinc/56/93/30/1065569330.db2.gz NGPQFWSGQDXZCH-UHFFFAOYSA-N 0 0 452.412 2.988 20 0 JFADRN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCNC(=O)C3(C)C)cc2)cc1 ZINC001292830818 1065569350 /nfs/dbraw/zinc/56/93/50/1065569350.db2.gz NVBPXMQGGKWCJC-UHFFFAOYSA-N 0 0 457.596 2.813 20 0 JFADRN Cc1nc(CN2CCN(C(=O)Cc3cc4c(cc3Br)OCCO4)CC2)oc1C ZINC001292831251 1065570011 /nfs/dbraw/zinc/57/00/11/1065570011.db2.gz QDQMJKKCRMYCQW-UHFFFAOYSA-N 0 0 450.333 2.712 20 0 JFADRN CCc1nnc(N(C)Cc2ccc(OC)c(F)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC001292834507 1065570834 /nfs/dbraw/zinc/57/08/34/1065570834.db2.gz XVOOHURBOXKTCU-ROUUACIJSA-N 0 0 459.545 2.971 20 0 JFADRN CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@@H](c2ccccc2)c2cccnc2)C1 ZINC001292835789 1065571230 /nfs/dbraw/zinc/57/12/30/1065571230.db2.gz OUZHZPJLRBAMFH-FPOVZHCZSA-N 0 0 459.568 2.711 20 0 JFADRN Cc1c(C(=O)N(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)nnn1-c1cccc2ncccc21 ZINC001292836900 1065571710 /nfs/dbraw/zinc/57/17/10/1065571710.db2.gz HQLSZNGFEPMWJW-CQSZACIVSA-N 0 0 450.524 2.605 20 0 JFADRN Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)s1 ZINC001292841650 1065573411 /nfs/dbraw/zinc/57/34/11/1065573411.db2.gz HQDPXDVSFJALKM-FOSCPCJNSA-N 0 0 458.569 2.624 20 0 JFADRN Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)C2CCN(Cc3csc(C)n3)CC2)s1 ZINC001292841927 1065573794 /nfs/dbraw/zinc/57/37/94/1065573794.db2.gz RYDGGZNLYYBJPP-INIZCTEOSA-N 0 0 451.643 2.969 20 0 JFADRN CSCC[C@H](NC(=O)c1ccn(C2CCOCC2)n1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC001292848055 1065575189 /nfs/dbraw/zinc/57/51/89/1065575189.db2.gz XYUIONMGTXYLJE-HNNXBMFYSA-N 0 0 459.528 2.572 20 0 JFADRN NS(=O)(=O)C1CCN(C(=O)[C@H](Oc2ccccc2Br)c2ccccc2)CC1 ZINC001292851212 1065575623 /nfs/dbraw/zinc/57/56/23/1065575623.db2.gz WRCUCEOEACUTJD-GOSISDBHSA-N 0 0 453.358 2.849 20 0 JFADRN CS(=O)(=O)c1cccc(Cl)c1C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC001292854637 1065576054 /nfs/dbraw/zinc/57/60/54/1065576054.db2.gz AJIDLZKICUNHJL-UHFFFAOYSA-N 0 0 458.765 2.863 20 0 JFADRN Cc1cn(C(C)(C)C(=O)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)nc1C(F)(F)F ZINC001292856527 1065576776 /nfs/dbraw/zinc/57/67/76/1065576776.db2.gz FUDZUSGAGDTFDM-UHFFFAOYSA-N 0 0 457.541 2.881 20 0 JFADRN O=C(N[C@@H](CO)C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)OCc1ccccc1 ZINC001292856909 1065577343 /nfs/dbraw/zinc/57/73/43/1065577343.db2.gz KTLOSSYXEQJRBV-NRFANRHFSA-N 0 0 459.458 2.713 20 0 JFADRN CCc1nnc(N(C)CCCOc2ccc(S(C)(=O)=O)cc2)n1C[C@@H]1CCOC[C@H]1C ZINC001292861370 1065577667 /nfs/dbraw/zinc/57/76/67/1065577667.db2.gz FXIJTIJLLZVSKG-MSOLQXFVSA-N 0 0 450.605 2.822 20 0 JFADRN CCc1nnc(N(C)CCCOc2ccc(S(C)(=O)=O)cc2)n1C[C@H]1CCOC[C@@H]1C ZINC001292861373 1065577680 /nfs/dbraw/zinc/57/76/80/1065577680.db2.gz FXIJTIJLLZVSKG-ZWKOTPCHSA-N 0 0 450.605 2.822 20 0 JFADRN CCc1nnc(N(C)CCN2CCOC(C)(C)C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001292862807 1065578208 /nfs/dbraw/zinc/57/82/08/1065578208.db2.gz AFENSGGLZTTZNS-UHFFFAOYSA-N 0 0 456.513 2.772 20 0 JFADRN CCc1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](c1cccs1)N1CCOCC1 ZINC001292864624 1065579421 /nfs/dbraw/zinc/57/94/21/1065579421.db2.gz RRUVGQYJGSVLDR-ZCNNSNEGSA-N 0 0 462.664 2.521 20 0 JFADRN CCc1nnc(N(C)CCOc2ccccc2OC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O ZINC001292866874 1065580361 /nfs/dbraw/zinc/58/03/61/1065580361.db2.gz DTCIFIMQYFMRTP-OALUTQOASA-N 0 0 477.631 2.569 20 0 JFADRN CCc1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001292870595 1065580706 /nfs/dbraw/zinc/58/07/06/1065580706.db2.gz ZDVDQTFEQURWEX-QGZVFWFLSA-N 0 0 460.522 2.981 20 0 JFADRN CC(C)(C)OC(=O)N1CCC(Nc2ccccc2)(C(=O)NCCCN2C(=O)CCC2=O)CC1 ZINC001292871556 1065580762 /nfs/dbraw/zinc/58/07/62/1065580762.db2.gz GGWVVBCYLOJWGZ-UHFFFAOYSA-N 0 0 458.559 2.524 20 0 JFADRN Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)CN(C)CC(=O)NC(C)C)C3)cc1 ZINC001292871758 1065581101 /nfs/dbraw/zinc/58/11/01/1065581101.db2.gz LJJMJPCFRDZEMU-UHFFFAOYSA-N 0 0 451.571 2.980 20 0 JFADRN CCc1c(C(=O)NCCc2nc(C3CCCCC3)cs2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001292873706 1065581773 /nfs/dbraw/zinc/58/17/73/1065581773.db2.gz UUUQTBVICMOXCQ-UHFFFAOYSA-N 0 0 455.584 2.671 20 0 JFADRN CCc1nnc(N(CC)Cc2ccc(C(=O)N(C)C)cc2)n1Cc1nnc2n1CCCCC2 ZINC001292875144 1065581988 /nfs/dbraw/zinc/58/19/88/1065581988.db2.gz UFNZZHWGYPCJMY-UHFFFAOYSA-N 0 0 450.591 2.935 20 0 JFADRN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001292878174 1065583168 /nfs/dbraw/zinc/58/31/68/1065583168.db2.gz XDHQYVQMGNPAQU-UHFFFAOYSA-N 0 0 455.323 2.681 20 0 JFADRN CCc1nnc(N(CCCOC)[C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 ZINC001292888181 1065585406 /nfs/dbraw/zinc/58/54/06/1065585406.db2.gz GLJMGCDQRNJSGK-SFHVURJKSA-N 0 0 478.615 2.577 20 0 JFADRN CCNS(=O)(=O)CCNC(=O)c1cc2cc(Br)cc(Br)c2o1 ZINC001292888895 1065586290 /nfs/dbraw/zinc/58/62/90/1065586290.db2.gz SBGTZWZFWHCEOP-UHFFFAOYSA-N 0 0 454.140 2.627 20 0 JFADRN CCc1nnc(N(CCO)Cc2cc(Br)ccc2F)n1CC1([S@@](C)=O)CC1 ZINC001292890211 1065587685 /nfs/dbraw/zinc/58/76/85/1065587685.db2.gz XZEJYYSZYXORHE-HHHXNRCGSA-N 0 0 459.385 2.652 20 0 JFADRN CCc1nnc(N(CCOC)CC(C)C)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C ZINC001292890964 1065588038 /nfs/dbraw/zinc/58/80/38/1065588038.db2.gz FJQQCLDCPBGAFB-GBESFXJTSA-N 0 0 451.612 2.974 20 0 JFADRN CCc1nnc(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1Cc1ccc(OCC(C)C)cc1 ZINC001292892199 1065588998 /nfs/dbraw/zinc/58/89/98/1065588998.db2.gz AIVFPNCKLMPZEW-GBXCKJPGSA-N 0 0 468.646 2.912 20 0 JFADRN CCc1nnc(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001292892851 1065591435 /nfs/dbraw/zinc/59/14/35/1065591435.db2.gz LGFXNCQSWQZHDL-AZUAARDMSA-N 0 0 485.633 2.786 20 0 JFADRN CCc1nnc(N2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCOc1cccc(Cl)c1 ZINC001292893210 1065593127 /nfs/dbraw/zinc/59/31/27/1065593127.db2.gz MHBCLJFSMCENDG-UWJYYQICSA-N 0 0 461.010 2.562 20 0 JFADRN CCc1nnc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001292893417 1065593628 /nfs/dbraw/zinc/59/36/28/1065593628.db2.gz NRQHIUQHEDEDEA-APWZRJJASA-N 0 0 453.509 2.987 20 0 JFADRN CCc1nnc(N2C[C@@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1CC1(CCOC)CCCCC1 ZINC001292894568 1065595886 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CCC[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC2(S(C)(=O)=O)CC2)CCO1 ZINC001294060515 1066533110 /nfs/dbraw/zinc/53/31/10/1066533110.db2.gz GWMOEGODEPWAFJ-HNNXBMFYSA-N 0 0 486.436 2.629 20 0 JFADRN CCC[C@@H]1CN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCCCO)CCO1 ZINC001294060785 1066533156 /nfs/dbraw/zinc/53/31/56/1066533156.db2.gz KYOROIMMZZLXSF-GOSISDBHSA-N 0 0 464.636 2.715 20 0 JFADRN CCC[C@@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC001294068419 1066538550 /nfs/dbraw/zinc/53/85/50/1066538550.db2.gz VIGNRNAGUKTFBB-IEBWSBKVSA-N 0 0 478.615 2.792 20 0 JFADRN CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(S(=O)(=O)NC)c2)CCO1 ZINC001294068573 1066538835 /nfs/dbraw/zinc/53/88/35/1066538835.db2.gz QRXZCKYIIRWEDJ-GOSISDBHSA-N 0 0 459.572 2.808 20 0 JFADRN CCC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCS(=O)(=O)C2)CCN1CCOC ZINC001294069448 1066539652 /nfs/dbraw/zinc/53/96/52/1066539652.db2.gz PZXGGKVRWSLAPF-RXVVDRJESA-N 0 0 496.077 2.970 20 0 JFADRN CCC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCSC2)CCO1 ZINC001294069468 1066539940 /nfs/dbraw/zinc/53/99/40/1066539940.db2.gz QFJGYFCFYNNING-KSSFIOAISA-N 0 0 456.410 2.909 20 0 JFADRN CCC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCSC2)CCO1 ZINC001294069466 1066540049 /nfs/dbraw/zinc/54/00/49/1066540049.db2.gz QFJGYFCFYNNING-KBXCAEBGSA-N 0 0 456.410 2.909 20 0 JFADRN CCC[C@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCNC(=O)c2ccco2)CCO1 ZINC001294070562 1066540381 /nfs/dbraw/zinc/54/03/81/1066540381.db2.gz YVEQRVFBOOMVAC-SFHVURJKSA-N 0 0 469.542 2.991 20 0 JFADRN CCC[C@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 ZINC001294070584 1066540697 /nfs/dbraw/zinc/54/06/97/1066540697.db2.gz ZELVGYHRMFNANW-RXVVDRJESA-N 0 0 478.615 2.935 20 0 JFADRN O=C(CSCc1ccncc1)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC001294071840 1066541070 /nfs/dbraw/zinc/54/10/70/1066541070.db2.gz LHCFGBGLGQWQGL-UHFFFAOYSA-N 0 0 456.540 2.628 20 0 JFADRN C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(Br)s1)Oc1cccc(F)c1 ZINC001294077031 1066545922 /nfs/dbraw/zinc/54/59/22/1066545922.db2.gz FEALAPBOLMESFK-JTQLQIEISA-N 0 0 451.339 2.512 20 0 JFADRN CCC[C@H]1CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(C)(C)C(=O)NC)CCO1 ZINC001294077163 1066546047 /nfs/dbraw/zinc/54/60/47/1066546047.db2.gz ODVJDTVYADOXDQ-FQEVSTJZSA-N 0 0 451.575 2.908 20 0 JFADRN CCC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CC2(S(C)(=O)=O)CCCC2)CCN1CCOC ZINC001294077430 1066546385 /nfs/dbraw/zinc/54/63/85/1066546385.db2.gz PDCKPMDIBLCAGN-LJQANCHMSA-N 0 0 478.663 2.568 20 0 JFADRN CCC[C@@H]1CN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)NC(=O)OC(C)(C)C)CCO1 ZINC001294080805 1066548720 /nfs/dbraw/zinc/54/87/20/1066548720.db2.gz DPXYZZKUEKJLJH-HZPDHXFCSA-N 0 0 476.578 2.924 20 0 JFADRN CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCCS(=O)(=O)Cc2ccccc2)CCO1 ZINC001294080732 1066548769 /nfs/dbraw/zinc/54/87/69/1066548769.db2.gz KAMSJMMCMANWSE-LEWJYISDSA-N 0 0 462.616 2.792 20 0 JFADRN CCC[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC(=O)NC)CCO1 ZINC001294081204 1066549712 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DBEFXCAUVOJGBC-QGZVFWFLSA-N 0 0 468.570 2.977 20 0 JFADRN CCC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCCS2(=O)=O)CCO1 ZINC001294090680 1066561376 /nfs/dbraw/zinc/56/13/76/1066561376.db2.gz IHTDYPAADDXJHW-LJQANCHMSA-N 0 0 468.023 2.563 20 0 JFADRN O=C(C1CCN(S(=O)(=O)c2cccc3cccnc32)CC1)N1CCN(c2ccccc2)CC1 ZINC000006578103 194432405 /nfs/dbraw/zinc/43/24/05/194432405.db2.gz KXHGYLLUCCJNLQ-UHFFFAOYSA-N 0 0 464.591 2.984 20 0 JFADRN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000096438078 130080018 /nfs/dbraw/zinc/08/00/18/130080018.db2.gz GZBRDHIXQIPPTN-YFHOEESVSA-N 0 0 470.595 2.602 20 0 JFADRN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCC[C@]3(C)C(=O)OC)c2c1C ZINC001164391078 718805532 /nfs/dbraw/zinc/80/55/32/718805532.db2.gz UKONKPJSCRMQCJ-JOCHJYFZSA-N 0 0 462.572 2.541 20 0 JFADRN Cc1cccc(CN2C(=O)COC3(CCN(C(F)(F)c4nc(Cl)nc5[nH]cnc54)CC3)[C@H]2C)n1 ZINC001164427778 718951019 /nfs/dbraw/zinc/95/10/19/718951019.db2.gz FWGZPQAAOKFQLT-CQSZACIVSA-N 0 0 491.930 2.993 20 0 JFADRN 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20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2nccc(C(F)F)n2)CC1 ZINC001286896515 1061379865 /nfs/dbraw/zinc/37/98/65/1061379865.db2.gz DMQURVNEYGWJFQ-UHFFFAOYSA-N 0 0 499.526 2.585 20 0 JFADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc(Cc4ccccn4)n3CC(=O)N(C)C)C2)cc1 ZINC001289758263 1061380200 /nfs/dbraw/zinc/38/02/00/1061380200.db2.gz ABJGZMOSIXCGLI-FQEVSTJZSA-N 0 0 490.612 2.699 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)cc1 ZINC001286896738 1061380352 /nfs/dbraw/zinc/38/03/52/1061380352.db2.gz NUGSHXPVNNNCDE-QHCPKHFHSA-N 0 0 492.628 2.887 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)OCC(C)C)CC2)cn1 ZINC001286896839 1061380689 /nfs/dbraw/zinc/38/06/89/1061380689.db2.gz FUOAINSYWZXPQU-UHFFFAOYSA-N 0 0 466.546 2.590 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(N3C[C@@H](C)O[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001286896977 1061380873 /nfs/dbraw/zinc/38/08/73/1061380873.db2.gz KCVLOELQDSRHKG-NXMSCROESA-N 0 0 457.575 2.939 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(N3C[C@@H](C)[C@H](N4CCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)c1 ZINC001286896998 1061380953 /nfs/dbraw/zinc/38/09/53/1061380953.db2.gz KPUCPHMWMUSJHU-WZONZLPQSA-N 0 0 481.645 2.571 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C(=O)NC3CC3)C2)cc1 ZINC001289759333 1061381295 /nfs/dbraw/zinc/38/12/95/1061381295.db2.gz LCBGFJDOXTVWAH-RTBURBONSA-N 0 0 468.602 2.687 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(O)(C(F)(F)F)CC2)cc1 ZINC001289759373 1061381560 /nfs/dbraw/zinc/38/15/60/1061381560.db2.gz LZIBMDMYFKJRMI-WBVHZDCISA-N 0 0 467.492 2.899 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cc1 ZINC001289759431 1061381652 /nfs/dbraw/zinc/38/16/52/1061381652.db2.gz MVYZSTWRKPBCAF-IBGZPJMESA-N 0 0 486.642 2.920 20 0 JFADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc(CC(C)C)n3C[C@]3(O)CCOC3)C2)cc1 ZINC001289759442 1061381974 /nfs/dbraw/zinc/38/19/74/1061381974.db2.gz MXNYRBFEFRHTGN-NBGIEHNGSA-N 0 0 470.618 2.975 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)cc1 ZINC001286897313 1061382069 /nfs/dbraw/zinc/38/20/69/1061382069.db2.gz RRLSZYFLYQIJDA-IBGZPJMESA-N 0 0 475.597 2.964 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC(=O)N(C)[C@H](C)C2)c1 ZINC001286897474 1061382566 /nfs/dbraw/zinc/38/25/66/1061382566.db2.gz PFWFHAHWDVOMHT-BSLALVQMSA-N 0 0 468.602 2.870 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(C3CCC3)nnc2N2CCN(C(=O)OCC(C)C)CC2)cn1 ZINC001286897365 1061382653 /nfs/dbraw/zinc/38/26/53/1061382653.db2.gz YPERTDCSNNTBEK-UHFFFAOYSA-N 0 0 455.563 2.862 20 0 JFADRN Cc1nnc(N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)n1CCCC(=O)NC1CC1 ZINC001289760429 1061383007 /nfs/dbraw/zinc/38/30/07/1061383007.db2.gz VFSAXGQZQQHAOR-LJQANCHMSA-N 0 0 453.591 2.992 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(-c3ccccc3F)nnc2N2CCN(CC(C)C)C(=O)C2)cn1 ZINC001286897679 1061383140 /nfs/dbraw/zinc/38/31/40/1061383140.db2.gz OYDFSSWRHRSISO-UHFFFAOYSA-N 0 0 465.533 2.791 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(-c3ccc4ccccc4n3)nnc2N(C)CC(=O)NC(C)C)cn1 ZINC001286897643 1061383155 /nfs/dbraw/zinc/38/31/55/1061383155.db2.gz OKYUEJXCQFIUCO-UHFFFAOYSA-N 0 0 472.553 2.856 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(CC3CC3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC001286897754 1061383598 /nfs/dbraw/zinc/38/35/98/1061383598.db2.gz WASMZPSYOSVUDV-DNVCBOLYSA-N 0 0 469.590 2.982 20 0 JFADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nnc([C@@H]4CCC(=O)N4)n3CCC(C)(C)O)C2)cc1 ZINC001289761475 1061383939 /nfs/dbraw/zinc/38/39/39/1061383939.db2.gz ZWHCDKBOQAXQJX-QUCCMNQESA-N 0 0 483.617 2.737 20 0 JFADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc(-c4ccc[nH]4)n3CC(=O)N(C)C)C2)cc1 ZINC001289761408 1061384014 /nfs/dbraw/zinc/38/40/14/1061384014.db2.gz YWGNGQSKKORSIU-SFHVURJKSA-N 0 0 464.574 2.708 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC001286897986 1061384062 /nfs/dbraw/zinc/38/40/62/1061384062.db2.gz CVRLWRRBQQVQCD-FFZOFVMBSA-N 0 0 474.631 2.912 20 0 JFADRN COc1ccc(C(=O)N=c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2C)c(Cl)n1 ZINC001289762301 1061384361 /nfs/dbraw/zinc/38/43/61/1061384361.db2.gz OGDUVXAMAIOXSR-UHFFFAOYSA-N 0 0 450.927 2.661 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c(Cc3cccnc3)nnc2N(C)CCN2CCOCC2)cc1 ZINC001289761976 1061384405 /nfs/dbraw/zinc/38/44/05/1061384405.db2.gz DHPWUVCUIQDRLK-NRFANRHFSA-N 0 0 450.587 2.808 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c(C(=O)NC(C)C)nnc2N2CCC(N3CCCC3=O)CC2)c1 ZINC001289761746 1061384447 /nfs/dbraw/zinc/38/44/47/1061384447.db2.gz AZJBBTSXTBPRFO-UHFFFAOYSA-N 0 0 490.555 2.966 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC001289763650 1061385314 /nfs/dbraw/zinc/38/53/14/1061385314.db2.gz NUZYPZDAFRPSPU-JFIYKMOQSA-N 0 0 488.532 2.724 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)cn1 ZINC001286898236 1061385345 /nfs/dbraw/zinc/38/53/45/1061385345.db2.gz WSCZSJYAERTJNQ-MAUKXSAKSA-N 0 0 492.506 2.697 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC(=O)N(C)C[C@H]2C)cc1 ZINC001289764622 1061385813 /nfs/dbraw/zinc/38/58/13/1061385813.db2.gz XLGPBRGELRLGLA-MSOLQXFVSA-N 0 0 482.610 2.712 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC(=O)N(C)C[C@@H]2C)cc1 ZINC001289764628 1061386379 /nfs/dbraw/zinc/38/63/79/1061386379.db2.gz XLGPBRGELRLGLA-ZWKOTPCHSA-N 0 0 482.610 2.712 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001289764841 1061386502 /nfs/dbraw/zinc/38/65/02/1061386502.db2.gz ZXCIYECRIQSHQF-BDTNDASRSA-N 0 0 484.645 2.722 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001286898982 1061387713 /nfs/dbraw/zinc/38/77/13/1061387713.db2.gz KIUNWMMOCSQXMV-OXJNMPFZSA-N 0 0 497.600 2.682 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cnn(C)c2C)c1 ZINC001286899349 1061388185 /nfs/dbraw/zinc/38/81/85/1061388185.db2.gz ONZMUCXTQYANLR-UHFFFAOYSA-N 0 0 473.541 2.610 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)c2nccs2)c1 ZINC001286899298 1061388286 /nfs/dbraw/zinc/38/82/86/1061388286.db2.gz QQCYHZHABWKQLY-KSSFIOAISA-N 0 0 453.572 2.932 20 0 JFADRN Cc1ccc(OC2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3ccc(F)cn3)CC2)cc1 ZINC001289768376 1061388772 /nfs/dbraw/zinc/38/87/72/1061388772.db2.gz IKAYEGZXNXCJPS-KRWDZBQOSA-N 0 0 488.589 2.827 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)c1 ZINC001286899492 1061388948 /nfs/dbraw/zinc/38/89/48/1061388948.db2.gz RDYISPABUNLOHW-GUYCJALGSA-N 0 0 468.480 2.579 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c(-c3cnccn3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)c1 ZINC001289768631 1061389155 /nfs/dbraw/zinc/38/91/55/1061389155.db2.gz RIFXXZURELCIMF-AWEZNQCLSA-N 0 0 466.514 2.563 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)c2ccco2)c1 ZINC001286899616 1061389367 /nfs/dbraw/zinc/38/93/67/1061389367.db2.gz YGYSEXLWTKSAEV-CRAIPNDOSA-N 0 0 457.556 2.977 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC001286899635 1061389954 /nfs/dbraw/zinc/38/99/54/1061389954.db2.gz YOKNHVCSPCUYQN-MAUKXSAKSA-N 0 0 466.508 2.862 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(N(C)CCC3CCOCC3)nnc2[C@]2(OC(C)C)CCOC2)cn1 ZINC001286899780 1061390304 /nfs/dbraw/zinc/39/03/04/1061390304.db2.gz VBMUHSYRIVTHCV-VWLOTQADSA-N 0 0 486.617 2.973 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@@H]2CCn3ccnc3C2)cc1 ZINC001289769432 1061390435 /nfs/dbraw/zinc/39/04/35/1061390435.db2.gz PTACKBVQBVPQKN-VAMGGRTRSA-N 0 0 486.642 2.882 20 0 JFADRN Cc1ccc(OC2CCN(c3nnc(Cc4cccnc4)n3CCS(C)(=O)=O)CC2)cc1 ZINC001289769457 1061390663 /nfs/dbraw/zinc/39/06/63/1061390663.db2.gz QMWIQBCEMPJYQB-UHFFFAOYSA-N 0 0 455.584 2.665 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(N3CCN(C(=O)NC(C)(C)C)CC3)nnc2C(C)(C)C)cn1 ZINC001286899823 1061390781 /nfs/dbraw/zinc/39/07/81/1061390781.db2.gz WHTFGSRPEVVMIY-UHFFFAOYSA-N 0 0 456.595 2.607 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(N3CCC(F)(F)C3)nnc2[C@@]2(OC(C)C)CCOC2)cn1 ZINC001286899968 1061391414 /nfs/dbraw/zinc/39/14/14/1061391414.db2.gz ZYCLGQKLZNOZRD-HXUWFJFHSA-N 0 0 450.490 2.566 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCCCO3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001286900446 1061391821 /nfs/dbraw/zinc/39/18/21/1061391821.db2.gz GSHLFIFIQSJLGI-AOMIVXANSA-N 0 0 489.642 2.855 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3cccnc3)n2CCS(=O)(=O)Cc2ccccc2)CC1 ZINC001286900416 1061391864 /nfs/dbraw/zinc/39/18/64/1061391864.db2.gz FNKNUWYAVJZRII-UHFFFAOYSA-N 0 0 496.637 2.839 20 0 JFADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c1 ZINC001289771229 1061392172 /nfs/dbraw/zinc/39/21/72/1061392172.db2.gz VUWOYZZNQVPLAA-SFHVURJKSA-N 0 0 451.589 2.846 20 0 JFADRN CC(=O)Nc1ccc(N2C[C@@H](C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC34CC4)CC2=O)cc1 ZINC001289771731 1061392587 /nfs/dbraw/zinc/39/25/87/1061392587.db2.gz YQPKIGJIHZAUAR-QFBILLFUSA-N 0 0 456.543 2.514 20 0 JFADRN 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ZINC001286931357 1061557185 /nfs/dbraw/zinc/55/71/85/1061557185.db2.gz WMRKIQVMDJEBNW-NRFANRHFSA-N 0 0 451.575 2.723 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCCN(C)c2ccccc2F)C1 ZINC001286931276 1061557244 /nfs/dbraw/zinc/55/72/44/1061557244.db2.gz ZVOWTJVSFXONKU-WOJBJXKFSA-N 0 0 458.582 2.800 20 0 JFADRN Cc1cc(Cn2c(CSc3ccc(C)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)no1 ZINC001289875282 1061557637 /nfs/dbraw/zinc/55/76/37/1061557637.db2.gz HIEQDKSOHDPILI-UHFFFAOYSA-N 0 0 476.628 2.695 20 0 JFADRN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC001289875468 1061557714 /nfs/dbraw/zinc/55/77/14/1061557714.db2.gz ITSQXDHQZRBFTI-VQTJNVASSA-N 0 0 450.601 2.861 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2c(F)cccc2OC(F)F)C1 ZINC001286931519 1061557962 /nfs/dbraw/zinc/55/79/62/1061557962.db2.gz YEIALBSNIHRCGZ-INIZCTEOSA-N 0 0 494.518 2.542 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CCn2cncn2)cc1 ZINC001289875491 1061558219 /nfs/dbraw/zinc/55/82/19/1061558219.db2.gz KCEKMNBJFQMPAR-IBGZPJMESA-N 0 0 475.644 2.574 20 0 JFADRN CC(=O)NCC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCn2cnnn2)CC1 ZINC001286931748 1061558315 /nfs/dbraw/zinc/55/83/15/1061558315.db2.gz AJWRBWNIRIFSLX-INIZCTEOSA-N 0 0 487.996 2.501 20 0 JFADRN CC(=O)NCC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCn2cnnn2)CC1 ZINC001286931749 1061558350 /nfs/dbraw/zinc/55/83/50/1061558350.db2.gz AJWRBWNIRIFSLX-MRXNPFEDSA-N 0 0 487.996 2.501 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@H]2CCC[C@@H](O)C2)cc1 ZINC001289875959 1061559068 /nfs/dbraw/zinc/55/90/68/1061559068.db2.gz QKUXTQZJMRUULG-VQTJNVASSA-N 0 0 493.699 2.902 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(=O)N(C)C)CC1 ZINC001286931966 1061559235 /nfs/dbraw/zinc/55/92/35/1061559235.db2.gz GVQHUHHCHVNGMI-OAHLLOKOSA-N 0 0 458.632 2.572 20 0 JFADRN CC(=O)NCC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCNC(=O)C(C)C)CC1 ZINC001286931962 1061559383 /nfs/dbraw/zinc/55/93/83/1061559383.db2.gz GTTDBSRAZTUWBP-KRWDZBQOSA-N 0 0 474.581 2.682 20 0 JFADRN Cc1cnn(C[C@@H]2CN(c3nnc(CSc4ccc(C)cc4)n3CCC(=O)N(C)C)CCO2)c1 ZINC001289876749 1061560080 /nfs/dbraw/zinc/56/00/80/1061560080.db2.gz DUTOVRWNGUGTHF-FQEVSTJZSA-N 0 0 483.642 2.767 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCO[C@@H](C)C3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001289877720 1061561532 /nfs/dbraw/zinc/56/15/32/1061561532.db2.gz SRAILPHMYMZRTF-ZWKOTPCHSA-N 0 0 465.645 2.528 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCO[C@@H](COC(C)C)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 ZINC001289877627 1061561579 /nfs/dbraw/zinc/56/15/79/1061561579.db2.gz QIQNSKQCCKARDE-NTKDMRAZSA-N 0 0 473.643 2.987 20 0 JFADRN CC(=O)NCC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCCC2(C)C)CC1 ZINC001286932459 1061561996 /nfs/dbraw/zinc/56/19/96/1061561996.db2.gz WSTXWRRJJMNBKX-JWQCQUIFSA-N 0 0 477.650 2.612 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2Cc2cnnn2C)cc1 ZINC001289878010 1061562048 /nfs/dbraw/zinc/56/20/48/1061562048.db2.gz VFFHRPHLFCDGMI-INIZCTEOSA-N 0 0 453.494 2.823 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCN(c4cnn(C)c4)CC3)n2CCCC(=O)N(C)C)cc1 ZINC001289877792 1061562145 /nfs/dbraw/zinc/56/21/45/1061562145.db2.gz AVRMTPWGFYQZLB-UHFFFAOYSA-N 0 0 482.658 2.807 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC(=O)NC(C)C)cc1 ZINC001289878826 1061563728 /nfs/dbraw/zinc/56/37/28/1061563728.db2.gz KAPJOPJVQJQPCU-UHFFFAOYSA-N 0 0 458.632 2.708 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCN(c4ncccn4)CC3)n2CCC(=O)NC(C)C)cc1 ZINC001289879572 1061565014 /nfs/dbraw/zinc/56/50/14/1061565014.db2.gz TYCJYMPUZLKWDI-UHFFFAOYSA-N 0 0 480.642 2.910 20 0 JFADRN Cc1noc(CCCn2c(CSc3ccc(C)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)n1 ZINC001289879978 1061565886 /nfs/dbraw/zinc/56/58/86/1061565886.db2.gz XASRRZQFSUXHAG-MRXNPFEDSA-N 0 0 455.588 2.870 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)NCc2ccccc2)CC1 ZINC001286933691 1061566579 /nfs/dbraw/zinc/56/65/79/1061566579.db2.gz AUBXZSJHONXVPE-UHFFFAOYSA-N 0 0 495.653 2.693 20 0 JFADRN CC(=O)NCC1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001286933925 1061567568 /nfs/dbraw/zinc/56/75/68/1061567568.db2.gz CZWRARRJJFAJBI-OAQYLSRUSA-N 0 0 460.623 2.711 20 0 JFADRN Cc1ccc(SCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC3(C2)CCOCC3)cc1 ZINC001289884118 1061568366 /nfs/dbraw/zinc/56/83/66/1061568366.db2.gz JJBSSLFWDXZWPW-SFHVURJKSA-N 0 0 479.672 2.996 20 0 JFADRN CC(=O)NCC1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2ccccc2Cl)CC1 ZINC001286934266 1061568857 /nfs/dbraw/zinc/56/88/57/1061568857.db2.gz GTTWIISOHXTGNS-MBSDFSHPSA-N 0 0 461.994 2.696 20 0 JFADRN Cc1ccc(SCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccnn3)CC2)cc1 ZINC001289884433 1061568939 /nfs/dbraw/zinc/56/89/39/1061568939.db2.gz LXWIDHRJMSRBKH-UHFFFAOYSA-N 0 0 466.615 2.634 20 0 JFADRN Cc1ccc2c(c1)CCN2c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCCCC1=O ZINC001289886466 1061570541 /nfs/dbraw/zinc/57/05/41/1061570541.db2.gz JLZCWJPRTPYCKH-SFHVURJKSA-N 0 0 474.631 2.684 20 0 JFADRN Cc1ccc2c(CCn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCSC[C@@H]3C)c[nH]c2c1 ZINC001289887336 1061570917 /nfs/dbraw/zinc/57/09/17/1061570917.db2.gz SWFHRCVFQGZSKY-HOTGVXAUSA-N 0 0 462.645 2.862 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCOC[C@H]2C)CC1 ZINC001286934802 1061571392 /nfs/dbraw/zinc/57/13/92/1061571392.db2.gz IPGZGULKHGFLCY-KNQAVFIVSA-N 0 0 455.603 2.925 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC=CCC2)CC1 ZINC001286934880 1061571870 /nfs/dbraw/zinc/57/18/70/1061571870.db2.gz JPRQZRSBKMUHND-LJQANCHMSA-N 0 0 456.616 2.978 20 0 JFADRN CC(=O)NCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Sc2ccccc2)CC1 ZINC001286934887 1061571903 /nfs/dbraw/zinc/57/19/03/1061571903.db2.gz YSQWSIXWMAZMEW-JXFKEZNVSA-N 0 0 456.616 2.763 20 0 JFADRN CC(=O)NCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001286934860 1061571934 /nfs/dbraw/zinc/57/19/34/1061571934.db2.gz XXMHUNOSVAXWBC-GOSISDBHSA-N 0 0 464.492 2.649 20 0 JFADRN Cc1cccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)c2nccs2)c1 ZINC001289889466 1061572025 /nfs/dbraw/zinc/57/20/25/1061572025.db2.gz DTEYFNIWFISKPZ-AEFFLSMTSA-N 0 0 467.599 2.664 20 0 JFADRN CCC[C@H]1CN(c2nnc(Cc3ccncc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CCO1 ZINC001294093440 1061572338 /nfs/dbraw/zinc/57/23/38/1061572338.db2.gz DOCWVGFHUQHTMF-PMACEKPBSA-N 0 0 482.551 2.922 20 0 JFADRN Cc1cccc(C(=O)N2CCCN(c3nnc([C@H]4CCCOC4)n3CCC(C)(C)O)CC2)c1 ZINC001289889584 1061572599 /nfs/dbraw/zinc/57/25/99/1061572599.db2.gz ISSZBXHEEYKNQR-NRFANRHFSA-N 0 0 455.603 2.994 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001286935039 1061572737 /nfs/dbraw/zinc/57/27/37/1061572737.db2.gz LNUNGQFEQFMMCM-FQEVSTJZSA-N 0 0 463.529 2.942 20 0 JFADRN CCC[C@@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCC(=O)N[C@@H](C)CC)CCO1 ZINC001294093572 1061572800 /nfs/dbraw/zinc/57/28/00/1061572800.db2.gz FKYJUTRGQCGOEI-AZUAARDMSA-N 0 0 453.591 2.827 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001286935108 1061572849 /nfs/dbraw/zinc/57/28/49/1061572849.db2.gz NGPHAHZVKQIHFA-QGZVFWFLSA-N 0 0 471.606 2.530 20 0 JFADRN Cc1cccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC001289889609 1061573115 /nfs/dbraw/zinc/57/31/15/1061573115.db2.gz JFBWQQBYWNRXRQ-GOSISDBHSA-N 0 0 496.534 2.702 20 0 JFADRN CC(=O)NCC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(C(N)=O)CCCC2)CC1 ZINC001286935224 1061573219 /nfs/dbraw/zinc/57/32/19/1061573219.db2.gz NHVPWLGYKBQRLS-WOJBJXKFSA-N 0 0 474.650 2.595 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCn2cc(Cl)cn2)CC1 ZINC001286935145 1061573277 /nfs/dbraw/zinc/57/32/77/1061573277.db2.gz OABODBCJCXIACR-UHFFFAOYSA-N 0 0 459.957 2.911 20 0 JFADRN CC(=O)NCC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCCCO)CC1 ZINC001286935205 1061573341 /nfs/dbraw/zinc/57/33/41/1061573341.db2.gz MTOROUSTNLLUHY-FQEVSTJZSA-N 0 0 478.638 2.865 20 0 JFADRN Cc1cccc(C(=O)N2CCCN(c3nnc([C@H]4CCCO4)n3CCNC(=O)C(C)C)CC2)c1 ZINC001289889762 1061573524 /nfs/dbraw/zinc/57/35/24/1061573524.db2.gz LIKUEJBVJBHDAL-OAQYLSRUSA-N 0 0 468.602 2.563 20 0 JFADRN Cc1cccc(C(=O)N2CCCN(c3nnc(CC(C)(C)C)n3C[C@H]3COCCO3)CC2)c1 ZINC001289889829 1061573909 /nfs/dbraw/zinc/57/39/09/1061573909.db2.gz MZSGRTNROVLLEA-NRFANRHFSA-N 0 0 455.603 2.943 20 0 JFADRN CCC[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCNC(=O)c2occc2C)CCO1 ZINC001294095507 1061574000 /nfs/dbraw/zinc/57/40/00/1061574000.db2.gz PLNPYYREWCWEKQ-FQEVSTJZSA-N 0 0 452.559 2.991 20 0 JFADRN Cc1cccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N2CCS[C@@H](C)[C@@H]2C)c1 ZINC001289889992 1061574520 /nfs/dbraw/zinc/57/45/20/1061574520.db2.gz PFHQWEBDSMDNHV-ROUUACIJSA-N 0 0 456.616 2.583 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCO[C@@H]2CCOC2)CC1 ZINC001286935572 1061574827 /nfs/dbraw/zinc/57/48/27/1061574827.db2.gz UXXDEWCDBILBPU-JOCHJYFZSA-N 0 0 459.566 2.556 20 0 JFADRN Cc1cccc(C(=O)NCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(C)C)C2)c1 ZINC001289890199 1061574937 /nfs/dbraw/zinc/57/49/37/1061574937.db2.gz QPRDTLKYZNUGJY-LEWJYISDSA-N 0 0 473.643 2.791 20 0 JFADRN 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CCC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)Cc2cccc(F)c2)CCO1 ZINC001294097768 1061576856 /nfs/dbraw/zinc/57/68/56/1061576856.db2.gz PBDZBSVUPLEBCG-QFIPXVFZSA-N 0 0 483.592 2.643 20 0 JFADRN Cc1nc(Cc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCNC(=O)c2cccc(C)c2)cs1 ZINC001289892820 1061577005 /nfs/dbraw/zinc/57/70/05/1061577005.db2.gz CKZHFDRQIAUFSR-UZLBHIALSA-N 0 0 454.600 2.579 20 0 JFADRN CCC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC2(C(=O)N(C)C)CCCC2)CCO1 ZINC001294097959 1061577400 /nfs/dbraw/zinc/57/74/00/1061577400.db2.gz PUKULYCWIVVAFQ-HXUWFJFHSA-N 0 0 457.623 2.794 20 0 JFADRN CCC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(=O)NC)c2)CCO1 ZINC001294098184 1061578157 /nfs/dbraw/zinc/57/81/57/1061578157.db2.gz TWVJDWUAIQGUNA-NRFANRHFSA-N 0 0 451.575 2.553 20 0 JFADRN Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 ZINC001289893256 1061578277 /nfs/dbraw/zinc/57/82/77/1061578277.db2.gz GCRJMBMAAPWSON-QFIPXVFZSA-N 0 0 469.634 2.599 20 0 JFADRN 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CC(C)[C@@H](CCN(C)C(=O)c1nc(S(C)(=O)=O)n2ccccc12)NC(=O)OC(C)(C)C ZINC001294114729 1061596630 /nfs/dbraw/zinc/59/66/30/1061596630.db2.gz JPPVKOLQZZWTSP-OAHLLOKOSA-N 0 0 452.577 2.749 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCOC[C@H]2C)CCO1 ZINC001286942919 1061596892 /nfs/dbraw/zinc/59/68/92/1061596892.db2.gz XCPLLZSZNUNJKM-XFQXTVEOSA-N 0 0 492.418 2.722 20 0 JFADRN Cc1cccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H](c2ccccc2)N(C)C)n1 ZINC001289908391 1061597319 /nfs/dbraw/zinc/59/73/19/1061597319.db2.gz GFOGRLCKHKGGHO-NQIIRXRSSA-N 0 0 456.616 2.821 20 0 JFADRN Cc1cccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@H](c2ccccc2)N(C)C)n1 ZINC001289908395 1061597404 /nfs/dbraw/zinc/59/74/04/1061597404.db2.gz GFOGRLCKHKGGHO-WIYYLYMNSA-N 0 0 456.616 2.821 20 0 JFADRN CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001294116544 1061598428 /nfs/dbraw/zinc/59/84/28/1061598428.db2.gz IQOUJJJTVLJWQY-IRXDYDNUSA-N 0 0 472.656 2.772 20 0 JFADRN CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001294116751 1061598471 /nfs/dbraw/zinc/59/84/71/1061598471.db2.gz OGSYGNIJAJEQID-UHFFFAOYSA-N 0 0 497.065 2.912 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(C3CCC3)n2Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC001286943142 1061598916 /nfs/dbraw/zinc/59/89/16/1061598916.db2.gz PGUQYMCPPLQBOU-SFHVURJKSA-N 0 0 453.465 2.834 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)Oc2ccc(C)cc2)CCO1 ZINC001286943069 1061598996 /nfs/dbraw/zinc/59/89/96/1061598996.db2.gz OMOLMNVMCCTJJW-UGKGYDQZSA-N 0 0 464.570 2.766 20 0 JFADRN CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001294116943 1061599065 /nfs/dbraw/zinc/59/90/65/1061599065.db2.gz RCJPJVZJWALAJR-UHFFFAOYSA-N 0 0 497.625 2.768 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(C3CCC3)n2Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC001286943141 1061599056 /nfs/dbraw/zinc/59/90/56/1061599056.db2.gz PGUQYMCPPLQBOU-GOSISDBHSA-N 0 0 453.465 2.834 20 0 JFADRN Cc1cccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CCSCC(F)(F)F)n1 ZINC001289909383 1061599135 /nfs/dbraw/zinc/59/91/35/1061599135.db2.gz PHWVAGZVQIVGFC-CYBMUJFWSA-N 0 0 451.540 2.813 20 0 JFADRN CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(NC(=O)COC)CC1 ZINC001294120308 1061600259 /nfs/dbraw/zinc/60/02/59/1061600259.db2.gz DATOQDFCUAEIIW-UHFFFAOYSA-N 0 0 467.412 2.968 20 0 JFADRN CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001294120720 1061601266 /nfs/dbraw/zinc/60/12/66/1061601266.db2.gz GSDVILKFLUHYHP-QGZVFWFLSA-N 0 0 472.565 2.675 20 0 JFADRN Cc1cccc(-c2nnc(N(C)[C@@H]3CCN(Cc4ccccc4)C3)n2CCCS(C)(=O)=O)n1 ZINC001289910573 1061602750 /nfs/dbraw/zinc/60/27/50/1061602750.db2.gz ZKXCNQZCNSHICD-OAQYLSRUSA-N 0 0 468.627 2.794 20 0 JFADRN Cc1cccc(-c2nnc(N(C)[C@H]3CCN(Cc4ccccc4)C3)n2CCCS(C)(=O)=O)n1 ZINC001289910571 1061602801 /nfs/dbraw/zinc/60/28/01/1061602801.db2.gz ZKXCNQZCNSHICD-NRFANRHFSA-N 0 0 468.627 2.794 20 0 JFADRN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001294122034 1061603569 /nfs/dbraw/zinc/60/35/69/1061603569.db2.gz PGBPEEKPZTTYFZ-IAGOWNOFSA-N 0 0 459.568 2.861 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2CCO[C@H]2CCCC[C@H]2C)n1 ZINC001289912384 1061603736 /nfs/dbraw/zinc/60/37/36/1061603736.db2.gz DTRPLEOUHODTSG-NQIIRXRSSA-N 0 0 456.591 2.539 20 0 JFADRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc(Nc2nccc(C(F)(F)F)n2)ccc1C ZINC001294122940 1061605771 /nfs/dbraw/zinc/60/57/71/1061605771.db2.gz CAHSTIZTTQIURT-AWEZNQCLSA-N 0 0 457.478 2.701 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2Cc2nc(C(F)(F)F)cs2)CCO1 ZINC001286943981 1061607179 /nfs/dbraw/zinc/60/71/79/1061607179.db2.gz DHZVBUYCRRFOMV-OAHLLOKOSA-N 0 0 498.506 2.873 20 0 JFADRN CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001294124819 1061607733 /nfs/dbraw/zinc/60/77/33/1061607733.db2.gz OQPOLRUSAWSOPJ-FQEVSTJZSA-N 0 0 470.574 2.919 20 0 JFADRN Cc1cccc(-c2nnc(N(C)Cc3ccc(F)c(Cl)c3)n2CCS(=O)(=O)N(C)C)n1 ZINC001289917973 1061611392 /nfs/dbraw/zinc/61/13/92/1061611392.db2.gz YCSXHFYHASZKQO-UHFFFAOYSA-N 0 0 466.970 2.969 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCCC(C)(C)C)CCO1 ZINC001286944369 1061611454 /nfs/dbraw/zinc/61/14/54/1061611454.db2.gz HDUMVZICFGGVGP-HXUWFJFHSA-N 0 0 453.591 2.684 20 0 JFADRN CCc1ccc([C@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001294130313 1061612078 /nfs/dbraw/zinc/61/20/78/1061612078.db2.gz FXSWIROZCLWLRZ-NRFANRHFSA-N 0 0 450.520 2.920 20 0 JFADRN Cc1cc(O)cc(=O)n1CCC(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC001294131208 1061613075 /nfs/dbraw/zinc/61/30/75/1061613075.db2.gz SHTMUPLWRLVHHU-HSZRJFAPSA-N 0 0 458.511 2.701 20 0 JFADRN CC(=O)NCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001286944541 1061613730 /nfs/dbraw/zinc/61/37/30/1061613730.db2.gz CUVDYUHWZUYHNC-NRFANRHFSA-N 0 0 497.644 2.899 20 0 JFADRN Cc1cccc(-c2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)n1 ZINC001289921568 1061613862 /nfs/dbraw/zinc/61/38/62/1061613862.db2.gz GFBWTYQITPYWQL-LJQANCHMSA-N 0 0 462.533 2.502 20 0 JFADRN CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc32)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001294133656 1061614146 /nfs/dbraw/zinc/61/41/46/1061614146.db2.gz MPYAEDBGJWXZNX-QGZVFWFLSA-N 0 0 472.615 2.879 20 0 JFADRN CCCCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001294133436 1061614222 /nfs/dbraw/zinc/61/42/22/1061614222.db2.gz MEXPIQXGZLVAKQ-XMMPIXPASA-N 0 0 451.575 2.828 20 0 JFADRN CCCCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C ZINC001294132819 1061614233 /nfs/dbraw/zinc/61/42/33/1061614233.db2.gz BUWJWRWGEVGJJU-SJORKVTESA-N 0 0 460.579 2.564 20 0 JFADRN Cc1cccc(-c2nnc(N(C)Cc3cnccn3)n2Cc2ccc(CS(C)(=O)=O)cc2)n1 ZINC001289922357 1061615332 /nfs/dbraw/zinc/61/53/32/1061615332.db2.gz OAOWBGYMXPOCME-UHFFFAOYSA-N 0 0 463.567 2.668 20 0 JFADRN CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC001294134037 1061615261 /nfs/dbraw/zinc/61/52/61/1061615261.db2.gz RPHXCUJBUREULT-OAQYLSRUSA-N 0 0 467.618 2.797 20 0 JFADRN CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 ZINC001294135737 1061617505 /nfs/dbraw/zinc/61/75/05/1061617505.db2.gz BUDWKOYLKXXEKD-FCHUYYIVSA-N 0 0 490.674 2.906 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCCNC(=O)C3CCC3)n2CC2(S(C)(=O)=O)CCCC2)n1 ZINC001289928231 1061618473 /nfs/dbraw/zinc/61/84/73/1061618473.db2.gz DSJRTSIMBSEOKU-UHFFFAOYSA-N 0 0 488.658 2.749 20 0 JFADRN CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001294136508 1061619716 /nfs/dbraw/zinc/61/97/16/1061619716.db2.gz HAGZJBBHCNXFSI-IRXDYDNUSA-N 0 0 455.625 2.816 20 0 JFADRN CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCc2ccccc2)C1 ZINC001294136542 1061620560 /nfs/dbraw/zinc/62/05/60/1061620560.db2.gz HNWXCCMLXKQOFN-YADHBBJMSA-N 0 0 491.658 2.639 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)c2ccc(C)cc2)CCO1 ZINC001286945298 1061621313 /nfs/dbraw/zinc/62/13/13/1061621313.db2.gz LCMNHZKPBHQETH-FDDCHVKYSA-N 0 0 465.602 2.593 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H]2CCCO2)CCO1 ZINC001286945238 1061621453 /nfs/dbraw/zinc/62/14/53/1061621453.db2.gz KDRGTXGBJDMLLH-SFTDATJTSA-N 0 0 471.602 2.809 20 0 JFADRN CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(C)cc2C1 ZINC001294137224 1061621768 /nfs/dbraw/zinc/62/17/68/1061621768.db2.gz KHAKZRJTUKBDHN-OAQYLSRUSA-N 0 0 477.631 2.681 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2OCCC2(C)C)CCO1 ZINC001286945314 1061622669 /nfs/dbraw/zinc/62/26/69/1061622669.db2.gz LJHVHYASQBANFF-FCHUYYIVSA-N 0 0 471.602 2.630 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(CC3CCCC3)n2Cc2cc(COC(C)(C)C)on2)CCO1 ZINC001286945305 1061622728 /nfs/dbraw/zinc/62/27/28/1061622728.db2.gz LENFMSJSNJNWHW-OAQYLSRUSA-N 0 0 474.606 2.704 20 0 JFADRN Cc1cccc(-c2nnc(N(C)[C@@H](C)C3CCCCC3)n2CC2(O)CCS(=O)(=O)CC2)n1 ZINC001289931228 1061623366 /nfs/dbraw/zinc/62/33/66/1061623366.db2.gz KONBVQAFCSTFMS-SFHVURJKSA-N 0 0 461.632 2.993 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2OCCC2(C)C)CCO1 ZINC001286945317 1061623616 /nfs/dbraw/zinc/62/36/16/1061623616.db2.gz LJHVHYASQBANFF-YADHBBJMSA-N 0 0 471.602 2.630 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCS(C)(=O)=O)n2C[C@@](O)(c2ccccc2)C(F)(F)F)n1 ZINC001289931819 1061624587 /nfs/dbraw/zinc/62/45/87/1061624587.db2.gz OSFUBEFXGVDFKB-HXUWFJFHSA-N 0 0 483.516 2.579 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC[C@H]2C[C@H](F)C2)CCO1 ZINC001286945460 1061624844 /nfs/dbraw/zinc/62/48/44/1061624844.db2.gz HSLMEMZWZRUKIX-ULQDDVLXSA-N 0 0 451.493 2.627 20 0 JFADRN CC(=O)NCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 ZINC001286945511 1061624859 /nfs/dbraw/zinc/62/48/59/1061624859.db2.gz IVJWRHBDJBHMFI-IEBWSBKVSA-N 0 0 469.565 2.886 20 0 JFADRN CC(=O)NCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001286945481 1061624901 /nfs/dbraw/zinc/62/49/01/1061624901.db2.gz IRXIOBNFEVQKEY-DNVCBOLYSA-N 0 0 462.982 2.703 20 0 JFADRN 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ZINC001290017172 1061741401 /nfs/dbraw/zinc/74/14/01/1061741401.db2.gz QYQBUDSZTGEPPK-UHFFFAOYSA-N 0 0 465.577 2.824 20 0 JFADRN Cc1cccc(CCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@H](C)CC(N)=O)c1 ZINC001290021299 1061743350 /nfs/dbraw/zinc/74/33/50/1061743350.db2.gz GEYLFQNFILKNSX-UYAOXDASSA-N 0 0 486.617 2.838 20 0 JFADRN Cc1cccc(CCn2c(CNC(=O)c3cccs3)nnc2N(C)CCN2CCOCC2)c1 ZINC001290022798 1061744496 /nfs/dbraw/zinc/74/44/96/1061744496.db2.gz DXZMAFBANOCFOM-UHFFFAOYSA-N 0 0 468.627 2.589 20 0 JFADRN Cc1cccc(CCn2c(COc3ccc(F)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)n1 ZINC001290024723 1061745719 /nfs/dbraw/zinc/74/57/19/1061745719.db2.gz UKDAIZRUNODEMM-IBGZPJMESA-N 0 0 459.547 2.566 20 0 JFADRN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CC2CCN(OC)CC2)c1 ZINC001290028021 1061746067 /nfs/dbraw/zinc/74/60/67/1061746067.db2.gz DALWHVMHAXYDPJ-UHFFFAOYSA-N 0 0 452.621 2.919 20 0 JFADRN Cc1cccc(CN(Cc2ccco2)c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)N(C)C)c1 ZINC001290027660 1061746119 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JHFUCWKKBATRMS-UHFFFAOYSA-N 0 0 452.650 2.654 20 0 JFADRN CCCCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCS(C)(=O)=O ZINC001294240837 1061751632 /nfs/dbraw/zinc/75/16/32/1061751632.db2.gz WLRVKQOSIKVDDP-UHFFFAOYSA-N 0 0 460.604 2.907 20 0 JFADRN C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001294242620 1061752524 /nfs/dbraw/zinc/75/25/24/1061752524.db2.gz RYJOXANDEZZSDH-LBPRGKRZSA-N 0 0 455.939 2.579 20 0 JFADRN Cc1nnc(N2CCN(c3cccc(C)c3)CC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001290037253 1061753112 /nfs/dbraw/zinc/75/31/12/1061753112.db2.gz IQSSLAIHSOXJHB-HXUWFJFHSA-N 0 0 452.525 2.875 20 0 JFADRN Cc1nnc(N2CCN(c3cccc(C)c3)CC2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001290037252 1061753254 /nfs/dbraw/zinc/75/32/54/1061753254.db2.gz IQSSLAIHSOXJHB-FQEVSTJZSA-N 0 0 452.525 2.875 20 0 JFADRN C[C@H](NC(=O)c1cc(S(C)(=O)=O)ncc1Cl)c1cc(F)ccc1N1CCC(O)CC1 ZINC001294242837 1061753236 /nfs/dbraw/zinc/75/32/36/1061753236.db2.gz XMLSWEDDPDZQCQ-LBPRGKRZSA-N 0 0 455.939 2.730 20 0 JFADRN CCCCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 ZINC001294244144 1061753291 /nfs/dbraw/zinc/75/32/91/1061753291.db2.gz BHDCFWJNOPQAKS-QGZVFWFLSA-N 0 0 485.651 2.790 20 0 JFADRN CCCCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F ZINC001294244621 1061753960 /nfs/dbraw/zinc/75/39/60/1061753960.db2.gz IQXCEEXJHZOEFH-GOSISDBHSA-N 0 0 457.547 2.564 20 0 JFADRN Cc1cccc(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC3CC(F)(F)C3)CC2)c1C ZINC001290037258 1061754043 /nfs/dbraw/zinc/75/40/43/1061754043.db2.gz ISPLIECJEQDIII-QGZVFWFLSA-N 0 0 482.601 2.877 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCNC(=O)C1CC1)S(C)(=O)=O ZINC001286972614 1061754831 /nfs/dbraw/zinc/75/48/31/1061754831.db2.gz JBKJIFUGAWPZFP-ZWKOTPCHSA-N 0 0 473.643 2.532 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccco1 ZINC001286972588 1061754853 /nfs/dbraw/zinc/75/48/53/1061754853.db2.gz IWMQHQPDZYCYHL-VXGBXAGGSA-N 0 0 456.366 2.935 20 0 JFADRN 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O=C(Cc1nc(C(F)(F)F)cs1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001290067667 1061792617 /nfs/dbraw/zinc/79/26/17/1061792617.db2.gz PSVHHYGVFMWVBW-UHFFFAOYSA-N 0 0 453.439 2.503 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(CC2CC2)n1Cc1ccnc(N2CCCCC2)c1)S(C)(=O)=O ZINC001286977677 1061792710 /nfs/dbraw/zinc/79/27/10/1061792710.db2.gz OBRJZZGEXJBCHK-ZWKOTPCHSA-N 0 0 460.648 2.922 20 0 JFADRN Cc1cc(Cn2c(COc3cccc(C)c3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)on1 ZINC001290069246 1061793134 /nfs/dbraw/zinc/79/31/34/1061793134.db2.gz CCRNPWFHYOFCNS-FQEVSTJZSA-N 0 0 459.572 2.914 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@@H]2CC[C@@H](F)C2)c1 ZINC001290069417 1061794195 /nfs/dbraw/zinc/79/41/95/1061794195.db2.gz IEQWMBDUOPQGQW-RTBURBONSA-N 0 0 465.595 2.775 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CC[C@](C)(O)c1ccccc1 ZINC001286977927 1061794659 /nfs/dbraw/zinc/79/46/59/1061794659.db2.gz TWSKRFCADNHGPY-IMWIBFENSA-N 0 0 471.627 2.820 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001286978032 1061795353 /nfs/dbraw/zinc/79/53/53/1061795353.db2.gz QNTNTKWFKBAAAD-LJQANCHMSA-N 0 0 455.603 2.752 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(c4cnccn4)CC3)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001290070409 1061795947 /nfs/dbraw/zinc/79/59/47/1061795947.db2.gz CPFOBBUCRPSKMA-UUWRZZSWSA-N 0 0 483.642 2.829 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(F)cn1 ZINC001286978104 1061795874 /nfs/dbraw/zinc/79/58/74/1061795874.db2.gz PAFPWCPAQZENPV-CABCVRRESA-N 0 0 465.526 2.836 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001286978253 1061797098 /nfs/dbraw/zinc/79/70/98/1061797098.db2.gz STWYODFYNVQOKL-OAHLLOKOSA-N 0 0 466.508 2.939 20 0 JFADRN Cc1c(Cn2c(COc3cccc(C)c3)nnc2N2CCN(C)C(=O)C2)cnn1CC(C)C ZINC001290071187 1061797073 /nfs/dbraw/zinc/79/70/73/1061797073.db2.gz JIFNLOFXEAIQNG-UHFFFAOYSA-N 0 0 451.575 2.653 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 ZINC001286978307 1061797517 /nfs/dbraw/zinc/79/75/17/1061797517.db2.gz QBGQHBLQZJZHAH-NUJGCVRESA-N 0 0 495.650 2.574 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 ZINC001286978517 1061798833 /nfs/dbraw/zinc/79/88/33/1061798833.db2.gz HISKGBBXXFTTQU-HZPDHXFCSA-N 0 0 493.655 2.652 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 ZINC001286978511 1061799012 /nfs/dbraw/zinc/79/90/12/1061799012.db2.gz HISKGBBXXFTTQU-CVEARBPZSA-N 0 0 493.655 2.652 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2Cc2ccn(C)n2)c1 ZINC001290071963 1061799916 /nfs/dbraw/zinc/79/99/16/1061799916.db2.gz WJFXAIFAYSUYOY-UHFFFAOYSA-N 0 0 466.590 2.577 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001286978557 1061799923 /nfs/dbraw/zinc/79/99/23/1061799923.db2.gz VVFPAKSOSGPYKF-XQBPLPMBSA-N 0 0 489.686 2.877 20 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Cc1cccc(OCc2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2C[C@@]2(O)CCCC2(C)C)c1 ZINC001290074102 1061802003 /nfs/dbraw/zinc/80/20/03/1061802003.db2.gz LNFVESJEUHHVBS-MHZLTWQESA-N 0 0 498.672 2.753 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CCCN1CCCCCC1=O ZINC001286978921 1061802112 /nfs/dbraw/zinc/80/21/12/1061802112.db2.gz XGJKPVKHGRSXCQ-QZTJIDSGSA-N 0 0 481.688 2.981 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1CCCn1cnc2ccccc21 ZINC001286978944 1061803106 /nfs/dbraw/zinc/80/31/06/1061803106.db2.gz XWTPMQKDLSMHKF-MOPGFXCFSA-N 0 0 481.626 2.962 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@@H]2CCCCS2)c1 ZINC001290074931 1061803548 /nfs/dbraw/zinc/80/35/48/1061803548.db2.gz RBLLGGNJRSKTGI-ICSRJNTNSA-N 0 0 479.672 2.921 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(CC4CCCCC4)CC3)n2CCS(C)(=O)=O)c1 ZINC001290075150 1061804061 /nfs/dbraw/zinc/80/40/61/1061804061.db2.gz SOFKSVICUJBABA-UHFFFAOYSA-N 0 0 475.659 2.912 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccccc2F)n1CCNC(=O)OC(C)(C)C ZINC001286979122 1061804312 /nfs/dbraw/zinc/80/43/12/1061804312.db2.gz SZMNJNGXZOXNNP-CVEARBPZSA-N 0 0 499.609 2.779 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCO[C@H](COC(C)C)C3)n2CC2([S@](C)=O)CC2)c1 ZINC001290076965 1061805772 /nfs/dbraw/zinc/80/57/72/1061805772.db2.gz FGIXOVYERMNUFC-WEZXKFLESA-N 0 0 462.616 2.707 20 0 JFADRN Cc1noc(C)c1[C@@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001290077388 1061806068 /nfs/dbraw/zinc/80/60/68/1061806068.db2.gz IBTRFWUEJGBSJO-INIZCTEOSA-N 0 0 459.572 2.809 20 0 JFADRN CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCCS2(=O)=O)C1 ZINC001286979364 1061806091 /nfs/dbraw/zinc/80/60/91/1061806091.db2.gz AEDQFCFMBGZZFU-QYZOEREBSA-N 0 0 481.663 2.618 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCOC4(C3)CCCCCC4)n2CCS(=O)(=O)N(C)C)c1 ZINC001290077525 1061806679 /nfs/dbraw/zinc/80/66/79/1061806679.db2.gz KFVFSIDIDDMUEX-UHFFFAOYSA-N 0 0 491.658 2.987 20 0 JFADRN 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Cc1cccc(OCCn2c(C(=O)NC(C)C)nnc2N2CCS(=O)(=O)C3(CCCCC3)C2)c1 ZINC001290079648 1061810216 /nfs/dbraw/zinc/81/02/16/1061810216.db2.gz CDVXQARBGAPHNG-UHFFFAOYSA-N 0 0 489.642 2.741 20 0 JFADRN Cc1cccc(OCCn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1 ZINC001290079747 1061810693 /nfs/dbraw/zinc/81/06/93/1061810693.db2.gz DGDGMXVHBAZKPI-XLNZFTOWSA-N 0 0 457.575 2.576 20 0 JFADRN Cc1cccc(OCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncccc3F)CC2)c1 ZINC001290079986 1061810828 /nfs/dbraw/zinc/81/08/28/1061810828.db2.gz HWYHKTMIBXWWPD-UHFFFAOYSA-N 0 0 467.549 2.664 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC1([S@](C)=O)CC1 ZINC001286980065 1061810881 /nfs/dbraw/zinc/81/08/81/1061810881.db2.gz KLBNOMXVBFRZTL-YXERLDLWSA-N 0 0 477.656 2.606 20 0 JFADRN Cc1cccc(OCCn2c(C(=O)NC(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)c1 ZINC001290082430 1061811153 /nfs/dbraw/zinc/81/11/53/1061811153.db2.gz YVDPKTPCJOSOGG-UHFFFAOYSA-N 0 0 468.524 2.878 20 0 JFADRN O=C(CNC(=O)N1CCc2ccccc2C1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001290082423 1061811215 /nfs/dbraw/zinc/81/12/15/1061811215.db2.gz YIUJQSWYTXLSGG-UHFFFAOYSA-N 0 0 456.974 2.631 20 0 JFADRN Cc1cccc2[nH]cc(CCn3c(C(=O)NC(C)C)nnc3N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c21 ZINC001290083531 1061812010 /nfs/dbraw/zinc/81/20/10/1061812010.db2.gz BEERBARIEMTRKQ-IRXDYDNUSA-N 0 0 474.631 2.707 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc3ccccc3o2)n1CCCn1ccnn1 ZINC001286980368 1061813108 /nfs/dbraw/zinc/81/31/08/1061813108.db2.gz NEGDEPOFIDBJPD-CVEARBPZSA-N 0 0 457.560 2.631 20 0 JFADRN Cc1cccc2c1CCN(c1nnc([C@@]3(OC(C)C)CCOC3)n1CC(=O)NCC(F)(F)F)C2 ZINC001290083881 1061813393 /nfs/dbraw/zinc/81/33/93/1061813393.db2.gz FIHDVUVYLWLETA-JOCHJYFZSA-N 0 0 481.519 2.868 20 0 JFADRN CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC(=O)NCC(F)F)C1 ZINC001286980545 1061813712 /nfs/dbraw/zinc/81/37/12/1061813712.db2.gz GWDWKSJXSRPQGW-MRXNPFEDSA-N 0 0 480.535 2.520 20 0 JFADRN 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CCCOc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCn2cc(Cl)cn2)cc1OC ZINC001294946731 1062730998 /nfs/dbraw/zinc/73/09/98/1062730998.db2.gz MOQGNLRRNZDHOC-UHFFFAOYSA-N 0 0 479.006 2.861 20 0 JFADRN CCCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@]2(O)CCO[C@H]2C)cc1OC ZINC001294946200 1062731114 /nfs/dbraw/zinc/73/11/14/1062731114.db2.gz IKNYWCGAGIMRIG-ZBLHWPFVSA-N 0 0 460.575 2.896 20 0 JFADRN CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F ZINC001287245776 1062730973 /nfs/dbraw/zinc/73/09/73/1062730973.db2.gz GJVCDZGDXIMQFE-GJZGRUSLSA-N 0 0 467.558 2.824 20 0 JFADRN CC(C)[C@@H]1CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F ZINC001287245778 1062731631 /nfs/dbraw/zinc/73/16/31/1062731631.db2.gz GJVCDZGDXIMQFE-LSDHHAIUSA-N 0 0 467.558 2.824 20 0 JFADRN CCCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)cn1 ZINC001294946977 1062731690 /nfs/dbraw/zinc/73/16/90/1062731690.db2.gz AWVXTKFQCUSUOV-FQEVSTJZSA-N 0 0 497.644 2.877 20 0 JFADRN 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C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN2CCOCC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001291234123 1063494988 /nfs/dbraw/zinc/49/49/88/1063494988.db2.gz QBRIOUVKYUSCTL-GOSISDBHSA-N 0 0 473.622 2.830 20 0 JFADRN C[C@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CC[S@](=O)C(C)(C)C)CC(=O)N1C ZINC001291234695 1063496728 /nfs/dbraw/zinc/49/67/28/1063496728.db2.gz ADVDWRGJAGSEJF-KNTRGWTASA-N 0 0 456.616 2.651 20 0 JFADRN C[C@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CC(=O)N(C)C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291234849 1063497866 /nfs/dbraw/zinc/49/78/66/1063497866.db2.gz DAYAWUVFCZVATQ-QFBILLFUSA-N 0 0 481.601 2.874 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@H](C)O1 ZINC001291236592 1063501105 /nfs/dbraw/zinc/50/11/05/1063501105.db2.gz IPDDKHCHAKJWFW-GASCZTMLSA-N 0 0 463.464 2.928 20 0 JFADRN C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@@H](C)O1 ZINC001291236594 1063501169 /nfs/dbraw/zinc/50/11/69/1063501169.db2.gz IPDDKHCHAKJWFW-HUUCEWRRSA-N 0 0 463.464 2.928 20 0 JFADRN 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C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCn2cc(Br)cn2)C[C@@H](C)O1 ZINC001291249269 1063524798 /nfs/dbraw/zinc/52/47/98/1063524798.db2.gz BUXVNEIHYWWISC-OAGGEKHMSA-N 0 0 453.385 2.835 20 0 JFADRN C[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(F)(F)F)CC(=O)N1C ZINC001291249418 1063525932 /nfs/dbraw/zinc/52/59/32/1063525932.db2.gz FGHQQLNMZLMDFK-CYBMUJFWSA-N 0 0 460.501 2.622 20 0 JFADRN C[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCC[C@@H](O)C2)CC(=O)N1C ZINC001291249644 1063527470 /nfs/dbraw/zinc/52/74/70/1063527470.db2.gz IDMLIQKMLHQVQP-WSTZPKSXSA-N 0 0 490.649 2.611 20 0 JFADRN C[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCC[C@@H](O)C2)CC(=O)N1C ZINC001291249643 1063527588 /nfs/dbraw/zinc/52/75/88/1063527588.db2.gz IDMLIQKMLHQVQP-QWFCFKBJSA-N 0 0 490.649 2.611 20 0 JFADRN C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCCn2cc(Br)cn2)CCO1 ZINC001291249873 1063527944 /nfs/dbraw/zinc/52/79/44/1063527944.db2.gz KURWIDHUEGPQDD-JKSUJKDBSA-N 0 0 453.385 2.837 20 0 JFADRN 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482.551 2.780 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCC(C)(C)O)C[C@H](C(F)(F)F)O1 ZINC001291268346 1063573045 /nfs/dbraw/zinc/57/30/45/1063573045.db2.gz VACNXMCIZRFOAB-GOEBONIOSA-N 0 0 452.481 2.834 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H](C)S1 ZINC001291268864 1063573829 /nfs/dbraw/zinc/57/38/29/1063573829.db2.gz FJTPJKNYLLHQQP-BFYDXBDKSA-N 0 0 455.675 2.685 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCNC(=O)C2CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291268982 1063574324 /nfs/dbraw/zinc/57/43/24/1063574324.db2.gz HSDGBXAHOGEKQI-CRAIPNDOSA-N 0 0 474.631 2.806 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCNC(=O)C2CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291268984 1063574363 /nfs/dbraw/zinc/57/43/63/1063574363.db2.gz HSDGBXAHOGEKQI-QAPCUYQASA-N 0 0 474.631 2.806 20 0 JFADRN C[C@@H]1CN(c2nnc(CC3CC3)n2CC(=O)NCCc2ccccc2)CCN1CC(F)(F)F ZINC001291270017 1063575902 /nfs/dbraw/zinc/57/59/02/1063575902.db2.gz ZZSZPYCVRRUHCR-QGZVFWFLSA-N 0 0 464.536 2.662 20 0 JFADRN C[C@H]1CN(c2nnc(CC3CC3)n2CC(=O)NCCc2ccccc2)CCN1CC(F)(F)F ZINC001291270016 1063575920 /nfs/dbraw/zinc/57/59/20/1063575920.db2.gz ZZSZPYCVRRUHCR-KRWDZBQOSA-N 0 0 464.536 2.662 20 0 JFADRN C[C@H]1CN(c2nnc(CC3CC3)n2CCC(=O)N2CCCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291270627 1063576313 /nfs/dbraw/zinc/57/63/13/1063576313.db2.gz LLLHXWXDWWUNDT-HKUYNNGSSA-N 0 0 460.623 2.983 20 0 JFADRN C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCOCCS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC001291271868 1063576793 /nfs/dbraw/zinc/57/67/93/1063576793.db2.gz IIQHTEOKDSOUTK-GOSISDBHSA-N 0 0 499.678 2.518 20 0 JFADRN C[C@H]1CN(c2nnc(CC3CC3)n2CCC(=O)N2CCCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291270630 1063576808 /nfs/dbraw/zinc/57/68/08/1063576808.db2.gz LLLHXWXDWWUNDT-PKOBYXMFSA-N 0 0 460.623 2.983 20 0 JFADRN C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC(C)(C)O1 ZINC001291272958 1063577463 /nfs/dbraw/zinc/57/74/63/1063577463.db2.gz ANJGHVUSKJYXQG-TZIWHRDSSA-N 0 0 475.659 2.739 20 0 JFADRN Cc1cc(NC(=O)C[C@@H](C)NS(=O)(=O)c2cccnc2Cl)ccc1N1CCOCC1 ZINC001295542831 1063577627 /nfs/dbraw/zinc/57/76/27/1063577627.db2.gz CJJMIJSJCIBTHD-OAHLLOKOSA-N 0 0 452.964 2.576 20 0 JFADRN C[C@H]1CN(c2nnc(CCCc3ccccc3)n2Cc2ncn(C)n2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291273272 1063578130 /nfs/dbraw/zinc/57/81/30/1063578130.db2.gz GEGJKRXAVSHQMA-ICSRJNTNSA-N 0 0 480.617 2.980 20 0 JFADRN C[C@H]1CN(c2nnc(CCCc3ccccc3)n2Cc2cnnn2C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291273650 1063578549 /nfs/dbraw/zinc/57/85/49/1063578549.db2.gz MDPPKGWIMNQYLV-GHTZIAJQSA-N 0 0 480.617 2.980 20 0 JFADRN C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCCNS(C)(=O)=O)[C@H]2CCCC[C@H]12 ZINC001291274971 1063581975 /nfs/dbraw/zinc/58/19/75/1063581975.db2.gz KSIDHANBJOWYOM-NRSPTQNISA-N 0 0 461.632 2.854 20 0 JFADRN C[C@@H]1OCC[C@]1(O)Cn1c(CCOc2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001291275117 1063582571 /nfs/dbraw/zinc/58/25/71/1063582571.db2.gz MVKYFVCDGATICH-FGSXEWAUSA-N 0 0 483.535 2.512 20 0 JFADRN C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCCNS(C)(=O)=O)C[C@@H](C)S1 ZINC001291275544 1063583415 /nfs/dbraw/zinc/58/34/15/1063583415.db2.gz UEJNSGXWVGJJKZ-QZTJIDSGSA-N 0 0 451.662 2.723 20 0 JFADRN C[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2ccccc2Cl)CCS1 ZINC001291276792 1063587466 /nfs/dbraw/zinc/58/74/66/1063587466.db2.gz RXXVRMUSLXHGHK-BTYIYWSLSA-N 0 0 450.008 2.903 20 0 JFADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2c(F)cccc2F)N(C)C)CCS1 ZINC001291276751 1063587530 /nfs/dbraw/zinc/58/75/30/1063587530.db2.gz RDRYNUBPTSIGCW-QAPCUYQASA-N 0 0 464.586 2.923 20 0 JFADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCNC(=O)C(C)(C)C)C[C@H](c2ccsc2)O1 ZINC001291276691 1063587564 /nfs/dbraw/zinc/58/75/64/1063587564.db2.gz QKXUGZGOLXMPAQ-SJLPKXTDSA-N 0 0 474.631 2.591 20 0 JFADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[S@@](=O)C(C)(C)C)C[C@H](c2ccccc2)O1 ZINC001291277200 1063589598 /nfs/dbraw/zinc/58/95/98/1063589598.db2.gz ZDABZYXSDUHYFS-MTIGVIBOSA-N 0 0 473.643 2.914 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC(=O)N1C ZINC001291277504 1063591084 /nfs/dbraw/zinc/59/10/84/1063591084.db2.gz FGGTZEPMTOAPHV-JFIYKMOQSA-N 0 0 492.418 2.838 20 0 JFADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)c2cccs2)CC(=O)N1C ZINC001291277656 1063592316 /nfs/dbraw/zinc/59/23/16/1063592316.db2.gz HMZDCHFMTZJNAK-OAHLLOKOSA-N 0 0 472.640 2.976 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2Cc2ccoc2)CC(=O)N1C ZINC001291277708 1063592949 /nfs/dbraw/zinc/59/29/49/1063592949.db2.gz IHFCXHBXVZHYRK-CQSZACIVSA-N 0 0 460.332 2.928 20 0 JFADRN C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C[C@H]1C ZINC001291277887 1063593153 /nfs/dbraw/zinc/59/31/53/1063593153.db2.gz LVAPLOOZSBVHGH-JZXOWHBKSA-N 0 0 484.601 2.845 20 0 JFADRN C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccccn2)CCN1CC(F)(F)F ZINC001291278033 1063594135 /nfs/dbraw/zinc/59/41/35/1063594135.db2.gz OOTPJLJXROTTIA-INIZCTEOSA-N 0 0 493.559 2.980 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@@]2(O)CCOC2)C[C@H]1C ZINC001291278371 1063595111 /nfs/dbraw/zinc/59/51/11/1063595111.db2.gz UYLSUBWSHVDDME-MDOVXXIYSA-N 0 0 451.365 2.863 20 0 JFADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCOCC2)CC(C)(C)C1 ZINC001291278515 1063596013 /nfs/dbraw/zinc/59/60/13/1063596013.db2.gz XIBBLVQWLDBVHK-SFHVURJKSA-N 0 0 460.648 2.864 20 0 JFADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCO[C@@H]2CCOC2)C[C@@H](C)S1 ZINC001291278597 1063596348 /nfs/dbraw/zinc/59/63/48/1063596348.db2.gz YRWWDQZQDCXTLM-BRWVUGGUSA-N 0 0 465.645 2.795 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(=O)N2CCOCC2)CCCO1 ZINC001291279256 1063598396 /nfs/dbraw/zinc/59/83/96/1063598396.db2.gz LKTDIEZIMQVGAZ-LJQANCHMSA-N 0 0 471.602 2.629 20 0 JFADRN COc1cccc([C@H](OC)C(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)c1 ZINC001295565129 1063598820 /nfs/dbraw/zinc/59/88/20/1063598820.db2.gz FKYUBECDDCFXHD-ZEQRLZLVSA-N 0 0 451.567 2.718 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCNS(C)(=O)=O)C[C@@H](C2CC2)O1 ZINC001291280011 1063601027 /nfs/dbraw/zinc/60/10/27/1063601027.db2.gz YTELNDYDEUHUCV-UWJYYQICSA-N 0 0 491.658 2.708 20 0 JFADRN COc1ccc(F)c(OC)c1C(=O)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC001295566601 1063601059 /nfs/dbraw/zinc/60/10/59/1063601059.db2.gz KMVIQKYURXGNHZ-HXUWFJFHSA-N 0 0 455.530 2.792 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(C)COCCO2)CC(=O)N1C ZINC001291280558 1063604208 /nfs/dbraw/zinc/60/42/08/1063604208.db2.gz INIVTNSPBZIHBJ-SZNDQCEHSA-N 0 0 484.384 2.636 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2Cc2ncn(C)n2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291281245 1063607811 /nfs/dbraw/zinc/60/78/11/1063607811.db2.gz TYXXEOIXBVDVHV-MAUKXSAKSA-N 0 0 486.552 2.522 20 0 JFADRN CC(=O)Nc1cc(C(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)ccc1F ZINC001295571489 1063608192 /nfs/dbraw/zinc/60/81/92/1063608192.db2.gz VXDDFUOXKDZENJ-QHCPKHFHSA-N 0 0 452.530 2.733 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccccc3F)n2Cc2nncn2C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291281946 1063611027 /nfs/dbraw/zinc/61/10/27/1063611027.db2.gz HAPIGXYTKUQDDH-DOTOQJQBSA-N 0 0 486.552 2.522 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccccc3F)n2CC2(NC(=O)OC(C)(C)C)COC2)CCCO1 ZINC001291282264 1063611694 /nfs/dbraw/zinc/61/16/94/1063611694.db2.gz MXLRHHHGFMXXEE-KRWDZBQOSA-N 0 0 491.564 2.905 20 0 JFADRN CCN(Cc1c(F)cccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 ZINC001295574693 1063613208 /nfs/dbraw/zinc/61/32/08/1063613208.db2.gz ILTKQLAVLKXYLR-CYBMUJFWSA-N 0 0 495.581 2.951 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCS(C)(=O)=O)C[C@@H](C(F)(F)F)O1 ZINC001291282420 1063613426 /nfs/dbraw/zinc/61/34/26/1063613426.db2.gz PBZIIJHRLRAYRO-BBRMVZONSA-N 0 0 480.484 2.587 20 0 JFADRN CCN(Cc1c(F)cccc1F)c1nnc(-c2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001295575333 1063613873 /nfs/dbraw/zinc/61/38/73/1063613873.db2.gz NNQDESUUAMRNSS-MRXNPFEDSA-N 0 0 476.553 2.926 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC2(O)CC2)CCN1C(=O)OC(C)(C)C ZINC001291282619 1063614081 /nfs/dbraw/zinc/61/40/81/1063614081.db2.gz SMHWYUXVZSXRHU-MRXNPFEDSA-N 0 0 461.538 2.967 20 0 JFADRN CC(C)(C)OC(=O)NC/C=C/CNC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC001295575827 1063614579 /nfs/dbraw/zinc/61/45/79/1063614579.db2.gz JYSXGHVINAUNBM-SNAWJCMRSA-N 0 0 458.328 2.905 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H]2COCCO2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291282677 1063614648 /nfs/dbraw/zinc/61/46/48/1063614648.db2.gz UFEJIRPYLYMUMB-ZHALLVOQSA-N 0 0 491.564 2.761 20 0 JFADRN CCN(Cc1c(F)cccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[S@@](=O)C(C)(C)C ZINC001295577331 1063615542 /nfs/dbraw/zinc/61/55/42/1063615542.db2.gz YKRTZIDIALBBPB-JKGBWWFKSA-N 0 0 491.630 2.740 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCCC(=O)N(C)C)CC2(CCOCC2)O1 ZINC001291282836 1063615574 /nfs/dbraw/zinc/61/55/74/1063615574.db2.gz WPZFTORFDSXYFP-GOSISDBHSA-N 0 0 475.565 2.639 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCCNS(C)(=O)=O)CC(C)(C)C1 ZINC001291282906 1063615619 /nfs/dbraw/zinc/61/56/19/1063615619.db2.gz XRFIDZWHUOHEPB-MRXNPFEDSA-N 0 0 453.584 2.808 20 0 JFADRN C[C@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOCCS(C)(=O)=O)C[C@@H]1C ZINC001291283050 1063616324 /nfs/dbraw/zinc/61/63/24/1063616324.db2.gz AKHWYQZHODEFMP-BZSNNMDCSA-N 0 0 485.651 2.504 20 0 JFADRN CCN(Cc1c(F)cccc1F)c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001295578356 1063617107 /nfs/dbraw/zinc/61/71/07/1063617107.db2.gz FUQPRWZKLHPMST-UHFFFAOYSA-N 0 0 491.564 2.508 20 0 JFADRN CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nnc(C)s1 ZINC001295578857 1063618989 /nfs/dbraw/zinc/61/89/89/1063618989.db2.gz HNBZPARMJMZPCT-CQSZACIVSA-N 0 0 482.582 2.888 20 0 JFADRN C[C@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(=O)N2CCOCC2)C[C@H](C)S1 ZINC001291283667 1063619755 /nfs/dbraw/zinc/61/97/55/1063619755.db2.gz KSFHQIDYCPVXSZ-BZSNNMDCSA-N 0 0 494.662 2.539 20 0 JFADRN C[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCS(=O)(=O)C2)CC(C)(C)O1 ZINC001291283660 1063619790 /nfs/dbraw/zinc/61/97/90/1063619790.db2.gz KMQRDTPVUSOTCR-WNRNVDISSA-N 0 0 454.637 2.635 20 0 JFADRN CCN(Cc1c(F)cccc1F)c1nnc(CC2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001295579299 1063620415 /nfs/dbraw/zinc/62/04/15/1063620415.db2.gz XOXGCPWOJUQCSS-JOCHJYFZSA-N 0 0 468.570 2.865 20 0 JFADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(C)CCCO1 ZINC001295579241 1063620424 /nfs/dbraw/zinc/62/04/24/1063620424.db2.gz VYLSBLVKEHKCSZ-DEOSSOPVSA-N 0 0 456.591 2.714 20 0 JFADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C(=O)NC(C)C)n1Cc1nc(C)cs1 ZINC001295579261 1063620473 /nfs/dbraw/zinc/62/04/73/1063620473.db2.gz WHMXIBSACOZKGF-UHFFFAOYSA-N 0 0 469.615 2.958 20 0 JFADRN C[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCOCC2)CCCO1 ZINC001291283899 1063621455 /nfs/dbraw/zinc/62/14/55/1063621455.db2.gz PEZGRQXCCOCWFH-MSOLQXFVSA-N 0 0 465.595 2.507 20 0 JFADRN C[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2ccn(C)n2)C[C@H](C)O1 ZINC001291283966 1063621467 /nfs/dbraw/zinc/62/14/67/1063621467.db2.gz QOQQVRPLJDFPGS-SCTDSRPQSA-N 0 0 459.595 2.940 20 0 JFADRN CCN(Cc1c(F)cccc1F)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001295580159 1063622914 /nfs/dbraw/zinc/62/29/14/1063622914.db2.gz ZNICCOMXSAEWKU-OAQYLSRUSA-N 0 0 482.578 2.785 20 0 JFADRN C[C@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cccc(CO)c2)CC(=O)N1C ZINC001291284371 1063623636 /nfs/dbraw/zinc/62/36/36/1063623636.db2.gz YRENCMQUSGMASJ-PXNSSMCTSA-N 0 0 484.601 2.558 20 0 JFADRN COC[C@@H](NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)C(=O)OC ZINC001295582492 1063625302 /nfs/dbraw/zinc/62/53/02/1063625302.db2.gz MGZKOPANJFILOS-SNVBAGLBSA-N 0 0 456.755 2.795 20 0 JFADRN C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2COCCO2)CCN1CC(F)(F)F ZINC001291285386 1063626025 /nfs/dbraw/zinc/62/60/25/1063626025.db2.gz QCYISWRGMUDDGX-BRSBDYLESA-N 0 0 475.556 2.685 20 0 JFADRN C[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ncccc2N(C)C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291285315 1063626085 /nfs/dbraw/zinc/62/60/85/1063626085.db2.gz OTXJNEYCWDQHTF-SQGPQFPESA-N 0 0 471.606 2.988 20 0 JFADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(F)cn1 ZINC001295583132 1063626551 /nfs/dbraw/zinc/62/65/51/1063626551.db2.gz GOWHZKGXMAJHBS-UHFFFAOYSA-N 0 0 462.533 2.989 20 0 JFADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cccc(C)n2)n1CC(=O)NCC(F)F ZINC001295583514 1063628025 /nfs/dbraw/zinc/62/80/25/1063628025.db2.gz IFONQPRTECXWRV-UHFFFAOYSA-N 0 0 485.539 2.758 20 0 JFADRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC2(C)C)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC001291285961 1063629301 /nfs/dbraw/zinc/62/93/01/1063629301.db2.gz ADQZNCYBKKEQHS-OALUTQOASA-N 0 0 490.674 2.536 20 0 JFADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnn(C)c2)n1Cc1cnn(CC)c1 ZINC001295584006 1063629521 /nfs/dbraw/zinc/62/95/21/1063629521.db2.gz KXPNNPZLZMNFBW-UHFFFAOYSA-N 0 0 461.574 2.672 20 0 JFADRN 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484.645 2.967 20 0 JFADRN CC[C@](C)(O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(Cc2cc(C)on2)CC1 ZINC001291382003 1063921272 /nfs/dbraw/zinc/92/12/72/1063921272.db2.gz QJDONUGDHUOCIG-REHUZNOOSA-N 0 0 460.623 2.976 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](COC)C1 ZINC001291382085 1063922197 /nfs/dbraw/zinc/92/21/97/1063922197.db2.gz RPKVAYSTKMDPIO-MFSJNOQSSA-N 0 0 459.591 2.796 20 0 JFADRN CC[C@@H](C)[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001291382319 1063922981 /nfs/dbraw/zinc/92/29/81/1063922981.db2.gz VIMNGEDSJAHTCB-IVZQSRNASA-N 0 0 464.998 2.942 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001291382321 1063923051 /nfs/dbraw/zinc/92/30/51/1063923051.db2.gz VIMNGEDSJAHTCB-OYHNWAKOSA-N 0 0 464.998 2.942 20 0 JFADRN COC(=O)[C@@H](CNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)Oc1ccc(F)cc1 ZINC001295879620 1063923170 /nfs/dbraw/zinc/92/31/70/1063923170.db2.gz REGHYEFGWYZKRU-JOCHJYFZSA-N 0 0 456.514 2.734 20 0 JFADRN 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CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CCN2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001291923188 1064543758 /nfs/dbraw/zinc/54/37/58/1064543758.db2.gz RADOGYJBEKKAMP-IBGZPJMESA-N 0 0 487.649 2.888 20 0 JFADRN CCC(CC)(Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](S(C)(=O)=O)C1)SC ZINC001291922968 1064543804 /nfs/dbraw/zinc/54/38/04/1064543804.db2.gz QGQWXWBGNGCURJ-CQSZACIVSA-N 0 0 469.633 2.551 20 0 JFADRN CC(=O)NC1CCC(N(C)C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)CC1 ZINC001296274188 1064543760 /nfs/dbraw/zinc/54/37/60/1064543760.db2.gz OKMBZLSNBXYTGM-UHFFFAOYSA-N 0 0 457.596 2.993 20 0 JFADRN CCNC(=O)c1ccc(Cn2c(C3CCCC3)nnc2N2CCC(NS(=O)(=O)CC)CC2)cc1 ZINC001296275020 1064544246 /nfs/dbraw/zinc/54/42/46/1064544246.db2.gz WITSTOCLQWZFSN-UHFFFAOYSA-N 0 0 488.658 2.642 20 0 JFADRN CCC(CC)(Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC(N(C)C(C)=O)CC1)OC ZINC001291923582 1064544527 /nfs/dbraw/zinc/54/45/27/1064544527.db2.gz XVOAZRMRQKPJHW-UHFFFAOYSA-N 0 0 495.628 2.844 20 0 JFADRN CCNC(=O)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCN(CC(C)C)C(=O)C2)cc1 ZINC001296275126 1064545031 /nfs/dbraw/zinc/54/50/31/1064545031.db2.gz YVTZHTVCOXFSRE-OAQYLSRUSA-N 0 0 468.602 2.622 20 0 JFADRN CCNC(=O)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC001296275166 1064545446 /nfs/dbraw/zinc/54/54/46/1064545446.db2.gz ZMOGHQUYZVQRCD-RTWAWAEBSA-N 0 0 489.642 2.721 20 0 JFADRN CCC(CC)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)OC ZINC001291925393 1064545727 /nfs/dbraw/zinc/54/57/27/1064545727.db2.gz JNRAYQOQKRDSIO-LJQANCHMSA-N 0 0 489.020 2.937 20 0 JFADRN CCC(CC)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCOC[C@@H]1C)NC(=O)OC(C)(C)C ZINC001291925231 1064545801 /nfs/dbraw/zinc/54/58/01/1064545801.db2.gz GBSBZRXLCDVSRC-JKSUJKDBSA-N 0 0 450.584 2.538 20 0 JFADRN CCNC(=O)c1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC(S(C)(=O)=O)CC2)cc1 ZINC001296275421 1064545810 /nfs/dbraw/zinc/54/58/10/1064545810.db2.gz XYPVTYUDVWSFGM-UHFFFAOYSA-N 0 0 487.651 2.742 20 0 JFADRN CCNC(=O)c1ccc(Cn2c(N3CCCN(C(=O)C4CC4)CC3)nnc2C(C)(C)C)cc1 ZINC001296277696 1064547172 /nfs/dbraw/zinc/54/71/72/1064547172.db2.gz ISMYJFRRGYFGDH-UHFFFAOYSA-N 0 0 452.603 2.822 20 0 JFADRN CCNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H]2C[C@H](OCC)C2(C)C)c1 ZINC001296277707 1064547420 /nfs/dbraw/zinc/54/74/20/1064547420.db2.gz IWMJGDCFKFLTBZ-RTWAWAEBSA-N 0 0 482.629 2.952 20 0 JFADRN CCNC(=O)c1cccc(Cn2c(C(C)C)nnc2N2CCC(CNC(=O)c3cnn(C)c3)CC2)c1 ZINC001296278027 1064548351 /nfs/dbraw/zinc/54/83/51/1064548351.db2.gz QLQQKKFVRLFIKB-UHFFFAOYSA-N 0 0 492.628 2.579 20 0 JFADRN CCNC(=O)c1cccc(Cn2c(C(C)C)nnc2N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 ZINC001296277935 1064548381 /nfs/dbraw/zinc/54/83/81/1064548381.db2.gz OMBARUUPGZBREM-UHFFFAOYSA-N 0 0 491.596 2.741 20 0 JFADRN CCC(CC)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(C)c2)CC1)OC ZINC001291932263 1064550036 /nfs/dbraw/zinc/55/00/36/1064550036.db2.gz GJWPAEAPBHFXSR-SFHVURJKSA-N 0 0 464.636 2.503 20 0 JFADRN CCC(CC)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)SC ZINC001291932593 1064550334 /nfs/dbraw/zinc/55/03/34/1064550334.db2.gz IQZKXOGWKLXDKL-ZWKOTPCHSA-N 0 0 485.720 2.843 20 0 JFADRN CC(C)(C(=O)N[C@@H]1CN(c2ccccc2)C1=O)S(=O)(=O)c1ccc(Br)cc1 ZINC001296280137 1064550485 /nfs/dbraw/zinc/55/04/85/1064550485.db2.gz HDILLLQLHSAZDO-MRXNPFEDSA-N 0 0 451.342 2.533 20 0 JFADRN CCNC(=O)c1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@H](COCC)C2)c1 ZINC001296280713 1064551444 /nfs/dbraw/zinc/55/14/44/1064551444.db2.gz HAWORUVDTZFOMU-NRFANRHFSA-N 0 0 465.602 2.801 20 0 JFADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)OC ZINC001291933742 1064552828 /nfs/dbraw/zinc/55/28/28/1064552828.db2.gz GZNKRRFABJQSJN-UHFFFAOYSA-N 0 0 498.657 2.660 20 0 JFADRN CCC(CC)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)ccc1F)OC ZINC001291933594 1064552870 /nfs/dbraw/zinc/55/28/70/1064552870.db2.gz QZZDBTBXNLCUKZ-FQEVSTJZSA-N 0 0 497.637 2.900 20 0 JFADRN CCNC(=O)CN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC001296282057 1064553125 /nfs/dbraw/zinc/55/31/25/1064553125.db2.gz FHDVGBQJAXGMMK-GOSISDBHSA-N 0 0 497.635 2.670 20 0 JFADRN CCC(CC)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1)OC ZINC001291933989 1064553101 /nfs/dbraw/zinc/55/31/01/1064553101.db2.gz TWDYUJKCHFXDBO-SBUREZEXSA-N 0 0 480.606 2.622 20 0 JFADRN CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2Cc2cc(C)ccc2OC(F)F)CC1 ZINC001296282584 1064553403 /nfs/dbraw/zinc/55/34/03/1064553403.db2.gz HWOXFQOFMPBKSC-UHFFFAOYSA-N 0 0 464.561 2.792 20 0 JFADRN CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)SC ZINC001291934426 1064553578 /nfs/dbraw/zinc/55/35/78/1064553578.db2.gz WCAQULJUWPDAFZ-UHFFFAOYSA-N 0 0 466.696 2.962 20 0 JFADRN CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2Cc2ccnc(OC3CCCC3)c2)CC1 ZINC001296282632 1064553889 /nfs/dbraw/zinc/55/38/89/1064553889.db2.gz ISBHMKDLRPIVEQ-UHFFFAOYSA-N 0 0 469.634 2.598 20 0 JFADRN CCNC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cccs2)c1 ZINC001296282873 1064554145 /nfs/dbraw/zinc/55/41/45/1064554145.db2.gz RKGOAKHCGARKDI-UHFFFAOYSA-N 0 0 452.584 2.896 20 0 JFADRN CS(=O)(=O)Nc1cc(C(=O)Nc2ccc(I)cc2O)ccc1F ZINC001296282942 1064554255 /nfs/dbraw/zinc/55/42/55/1064554255.db2.gz MAFYTFMXWGSYLT-UHFFFAOYSA-N 0 0 450.229 2.760 20 0 JFADRN O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1ccnc(Cl)c1I ZINC001291936672 1064554310 /nfs/dbraw/zinc/55/43/10/1064554310.db2.gz KNGSIIITZGFNCW-GFCCVEGCSA-N 0 0 459.671 2.854 20 0 JFADRN CCC(CC)(Cn1c(COc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)OC ZINC001291940068 1064555183 /nfs/dbraw/zinc/55/51/83/1064555183.db2.gz AMQZCUMUKRZASI-UHFFFAOYSA-N 0 0 485.564 2.788 20 0 JFADRN CCNC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC=C(C(F)(F)F)CC2)c1 ZINC001296283778 1064555544 /nfs/dbraw/zinc/55/55/44/1064555544.db2.gz XYKKREWOTPJSKK-UHFFFAOYSA-N 0 0 476.503 2.897 20 0 JFADRN CCNC(=O)CN1CCN(c2nnc([C@@H](C)CC)n2Cc2ccccc2Br)CC1 ZINC001296286032 1064556917 /nfs/dbraw/zinc/55/69/17/1064556917.db2.gz DLDQPEJCCKLWAZ-INIZCTEOSA-N 0 0 463.424 2.861 20 0 JFADRN CCC(CC)[C@@H](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@H](C)C1)OC ZINC001291941088 1064557029 /nfs/dbraw/zinc/55/70/29/1064557029.db2.gz CBFOTAQIAOUOJP-DYESRHJHSA-N 0 0 491.658 2.857 20 0 JFADRN CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1)OC ZINC001291941071 1064557089 /nfs/dbraw/zinc/55/70/89/1064557089.db2.gz MTKTWUANZOPBSA-RTBURBONSA-N 0 0 485.695 2.874 20 0 JFADRN CCC(CC)(Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1nncn1C)OC ZINC001291941811 1064557816 /nfs/dbraw/zinc/55/78/16/1064557816.db2.gz QSPNGVUMZYQRBF-INIZCTEOSA-N 0 0 472.619 2.945 20 0 JFADRN CCNC(=O)CN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCC[C@H]2OC)CC1 ZINC001296286446 1064558148 /nfs/dbraw/zinc/55/81/48/1064558148.db2.gz KEPXIYPYDMIODF-QKNQBKEWSA-N 0 0 488.608 2.630 20 0 JFADRN CCNC(=O)CN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2C[C@@H](OC)C(C)C)CC1 ZINC001296286670 1064558432 /nfs/dbraw/zinc/55/84/32/1064558432.db2.gz NMLYHFABZVVXEV-JOCHJYFZSA-N 0 0 468.646 2.677 20 0 JFADRN CCC(CC)(Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1)SC ZINC001291943224 1064560028 /nfs/dbraw/zinc/56/00/28/1064560028.db2.gz KVWITEJIOGVTMN-VGSWGCGISA-N 0 0 451.637 2.707 20 0 JFADRN CCC(CC)(Cn1c(CN2CCCC2=O)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1)OC ZINC001291944377 1064560418 /nfs/dbraw/zinc/56/04/18/1064560418.db2.gz YROIGZNLIYKGHC-UHFFFAOYSA-N 0 0 473.603 2.952 20 0 JFADRN CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCSC2)CC1 ZINC001296288067 1064560771 /nfs/dbraw/zinc/56/07/71/1064560771.db2.gz GOXPYCGKVDPTFD-OAHLLOKOSA-N 0 0 467.014 2.749 20 0 JFADRN CCC(CC)[C@@H](CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(C)C(=O)[C@@H]1C)OC ZINC001291951038 1064562981 /nfs/dbraw/zinc/56/29/81/1064562981.db2.gz AWVMBEGRBTYQCI-LAUBAEHRSA-N 0 0 495.628 2.700 20 0 JFADRN CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)COC)CC1 ZINC001296289013 1064563163 /nfs/dbraw/zinc/56/31/63/1064563163.db2.gz PTHLLKUAFWDQPU-OAHLLOKOSA-N 0 0 469.417 2.793 20 0 JFADRN CCNC(=O)CN1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC=CO2)CC1 ZINC001296289073 1064563244 /nfs/dbraw/zinc/56/32/44/1064563244.db2.gz NMPZGCGVEGJLGD-QGZVFWFLSA-N 0 0 489.418 2.658 20 0 JFADRN CCNC(=O)CN1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001296289089 1064563578 /nfs/dbraw/zinc/56/35/78/1064563578.db2.gz OCLWVGMZZXEMCF-JTHBVZDNSA-N 0 0 454.619 2.654 20 0 JFADRN CCNC(=O)CN1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 ZINC001296289255 1064563933 /nfs/dbraw/zinc/56/39/33/1064563933.db2.gz PXIDRQIAORKKLM-UHFFFAOYSA-N 0 0 477.613 2.824 20 0 JFADRN CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@H]2CCOC2)CC1)N1CCOCC1 ZINC001291951859 1064564172 /nfs/dbraw/zinc/56/41/72/1064564172.db2.gz HTUATNALKIIUDT-XZOQPEGZSA-N 0 0 490.693 2.806 20 0 JFADRN CCNC(=O)CN1CCN(c2nnc(-c3ccccc3Cl)n2CC2(C)CCOCC2)CC1 ZINC001296289367 1064564508 /nfs/dbraw/zinc/56/45/08/1064564508.db2.gz SDBCGKOOCBVKGQ-UHFFFAOYSA-N 0 0 461.010 2.673 20 0 JFADRN CCNC(=O)CN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCC(C)(C)C)CC1 ZINC001296289698 1064565433 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CCC(CC)NC(=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CCc1ccc(C)cc1C ZINC001292069337 1064747991 /nfs/dbraw/zinc/74/79/91/1064747991.db2.gz BWROILGJRPKREU-UHFFFAOYSA-N 0 0 495.628 2.577 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(C2)CCCOC3)n1CC(=O)NC1CCCCC1 ZINC001292070353 1064749180 /nfs/dbraw/zinc/74/91/80/1064749180.db2.gz NCDCRZNJWHPGHT-XMMPIXPASA-N 0 0 460.623 2.652 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@]3(C2)CCCOC3)n1CC(=O)NC1CCCCC1 ZINC001292070352 1064749329 /nfs/dbraw/zinc/74/93/29/1064749329.db2.gz NCDCRZNJWHPGHT-DEOSSOPVSA-N 0 0 460.623 2.652 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1C[C@H](C)Oc1ccccc1OC ZINC001292070549 1064749784 /nfs/dbraw/zinc/74/97/84/1064749784.db2.gz NZNZMBUIXJHQNO-SSOJOUAXSA-N 0 0 484.601 2.532 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC3(CCCC3)C2)n1CCNS(=O)(=O)c1ccccc1 ZINC001292071715 1064750881 /nfs/dbraw/zinc/75/08/81/1064750881.db2.gz XQDICEWCPNGKCK-UHFFFAOYSA-N 0 0 488.658 2.946 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1Cc1cccnc1OC ZINC001292073430 1064751630 /nfs/dbraw/zinc/75/16/30/1064751630.db2.gz FTBZRURSBUKDQM-UHFFFAOYSA-N 0 0 478.601 2.672 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1C[C@@](C)(O)c1cccs1 ZINC001292073757 1064752001 /nfs/dbraw/zinc/75/20/01/1064752001.db2.gz HVULSLQBROWAIB-HSZRJFAPSA-N 0 0 470.599 2.829 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3oncc3C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001292073511 1064752095 /nfs/dbraw/zinc/75/20/95/1064752095.db2.gz HCADZUSQIFLYAK-UHFFFAOYSA-N 0 0 458.592 2.945 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(OC)cc3C2)n1C[C@@]1(C)COCCO1 ZINC001292073843 1064752533 /nfs/dbraw/zinc/75/25/33/1064752533.db2.gz AMMFHCJQRZXBNI-DEOSSOPVSA-N 0 0 457.575 2.573 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1Cc1cc(Cl)ccc1OC ZINC001292074079 1064753291 /nfs/dbraw/zinc/75/32/91/1064753291.db2.gz AFKPXOMYPUJTOM-QHCPKHFHSA-N 0 0 474.993 2.623 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)nc3C2)n1Cc1conc1COC ZINC001292074408 1064754077 /nfs/dbraw/zinc/75/40/77/1064754077.db2.gz FXCMBXSNIAONIA-UHFFFAOYSA-N 0 0 473.965 2.990 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3C2)n1CC(=O)NCC1CC1 ZINC001292074638 1064754148 /nfs/dbraw/zinc/75/41/48/1064754148.db2.gz OYDYLVLOECJLJO-UHFFFAOYSA-N 0 0 460.529 2.564 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(OC)c(C)cc3C2)n1CCC(=O)NC(C)C ZINC001292074888 1064754516 /nfs/dbraw/zinc/75/45/16/1064754516.db2.gz CQOGHRQBZMPLCY-UHFFFAOYSA-N 0 0 470.618 2.991 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001292075442 1064755353 /nfs/dbraw/zinc/75/53/53/1064755353.db2.gz WLWFJCRXHSQSMC-PXNSSMCTSA-N 0 0 456.591 2.921 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3cccc(F)c3[C@@H]2C)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001292075553 1064755503 /nfs/dbraw/zinc/75/55/03/1064755503.db2.gz NYACAIBRMWZLJZ-HOTGVXAUSA-N 0 0 477.606 2.894 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)cc(F)c3C2)n1CC[S@@](=O)CC ZINC001292075632 1064755998 /nfs/dbraw/zinc/75/59/98/1064755998.db2.gz PUSYBRHSBQQQHH-HKBQPEDESA-N 0 0 453.559 2.806 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(OC)cc3C2)n1CCNC(=O)c1ccco1 ZINC001292075637 1064756013 /nfs/dbraw/zinc/75/60/13/1064756013.db2.gz PYUPCQMXRALYMV-UHFFFAOYSA-N 0 0 480.569 2.791 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)nc3C2)n1C[C@@H]1CCCCS1(=O)=O ZINC001292075816 1064756374 /nfs/dbraw/zinc/75/63/74/1064756374.db2.gz QWTCHFPNAWFLJG-KRWDZBQOSA-N 0 0 495.049 2.775 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CCOC3)C2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001292076186 1064757088 /nfs/dbraw/zinc/75/70/88/1064757088.db2.gz LXOSTEJHYMRJLC-BJKOFHAPSA-N 0 0 459.591 2.931 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)nc3C2)n1Cc1cnn(C)c1C ZINC001292076147 1064757179 /nfs/dbraw/zinc/75/71/79/1064757179.db2.gz YVKPDPQSQUYESW-UHFFFAOYSA-N 0 0 456.982 2.898 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1C[C@](C)(O)C1CCCCC1 ZINC001292078478 1064760750 /nfs/dbraw/zinc/76/07/50/1064760750.db2.gz IHNMDPUITXJZLW-BSRJHKFKSA-N 0 0 463.579 2.642 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CCCN1CCCCCC1=O ZINC001292078658 1064761280 /nfs/dbraw/zinc/76/12/80/1064761280.db2.gz JSSNWBSBIZFWII-CTNGQTDRSA-N 0 0 474.650 2.995 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H]3OCCC[C@H]3C2)n1CCCN1CCCCCC1=O ZINC001292078660 1064761310 /nfs/dbraw/zinc/76/13/10/1064761310.db2.gz JSSNWBSBIZFWII-PZJWPPBQSA-N 0 0 474.650 2.995 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H]3OCCC[C@@H]3C2)n1CCCN1CCCCCC1=O ZINC001292078661 1064761371 /nfs/dbraw/zinc/76/13/71/1064761371.db2.gz JSSNWBSBIZFWII-TZIWHRDSSA-N 0 0 474.650 2.995 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1C[C@@H]1CCCC1(C)C ZINC001292078973 1064761543 /nfs/dbraw/zinc/76/15/43/1064761543.db2.gz NRJZBSBRJLBXTN-KRWDZBQOSA-N 0 0 455.607 2.679 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CC[C@H]3OC(=O)O[C@@H]3C2)n1CCOCc1ccccc1 ZINC001292079019 1064761975 /nfs/dbraw/zinc/76/19/75/1064761975.db2.gz OOAHIVSBNOJIQP-RTBURBONSA-N 0 0 457.531 2.527 20 0 JFADRN COC(=O)N(C)c1ccc(NC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1 ZINC001292079751 1064763123 /nfs/dbraw/zinc/76/31/23/1064763123.db2.gz JTWPTVBQWSNNAC-SFHVURJKSA-N 0 0 450.536 2.883 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCc1c[nH]c2cc(F)ccc12 ZINC001292081740 1064764010 /nfs/dbraw/zinc/76/40/10/1064764010.db2.gz AEVGRJAGZVLJKP-MRXNPFEDSA-N 0 0 469.565 2.761 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@H]1CCCCS1(=O)=O ZINC001292082557 1064764880 /nfs/dbraw/zinc/76/48/80/1064764880.db2.gz DBERVNNPDMMSAW-GDBMZVCRSA-N 0 0 461.579 2.645 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC)C2)n1CC1(OC)CCC(C)CC1 ZINC001292084927 1064766982 /nfs/dbraw/zinc/76/69/82/1064766982.db2.gz KJCRQYGMTOQJBY-JZGPVCMCSA-N 0 0 462.639 2.754 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1Cc1cccc(N2CCOCC2)n1 ZINC001292086090 1064768737 /nfs/dbraw/zinc/76/87/37/1064768737.db2.gz PYVMTCJSQXBTOL-QGZVFWFLSA-N 0 0 491.587 2.958 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001292086414 1064769156 /nfs/dbraw/zinc/76/91/56/1064769156.db2.gz SARYQYKXJXVBTD-CQSZACIVSA-N 0 0 481.523 2.555 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1Cc1cc(Cl)c(OC)c(OC)c1 ZINC001292086412 1064769180 /nfs/dbraw/zinc/76/91/80/1064769180.db2.gz SAKBIOUBROTGSD-OAHLLOKOSA-N 0 0 493.008 2.617 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCCN1CCOCC1 ZINC001292086657 1064769602 /nfs/dbraw/zinc/76/96/02/1064769602.db2.gz UYFDODZWGVXAKJ-INIZCTEOSA-N 0 0 460.545 2.698 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)n1C[C@@H]1CC=CCC1 ZINC001292088226 1064772005 /nfs/dbraw/zinc/77/20/05/1064772005.db2.gz DPBSLWYRBNFDBH-UYAOXDASSA-N 0 0 482.633 2.950 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)n1C[C@@H]1CC=CCC1 ZINC001292088225 1064772145 /nfs/dbraw/zinc/77/21/45/1064772145.db2.gz DPBSLWYRBNFDBH-QUCCMNQESA-N 0 0 482.633 2.950 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1C[C@@H](OC)C(C)(C)C ZINC001292089220 1064773148 /nfs/dbraw/zinc/77/31/48/1064773148.db2.gz JDGGAYDOEKSZFR-RTBURBONSA-N 0 0 462.639 2.849 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1CCc2nccn2C1 ZINC001292089483 1064773952 /nfs/dbraw/zinc/77/39/52/1064773952.db2.gz KPUJQFSYTNNJEF-UYAOXDASSA-N 0 0 498.676 2.787 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1CC[C@@H]1CCOC1 ZINC001292089615 1064773977 /nfs/dbraw/zinc/77/39/77/1064773977.db2.gz LEGCEXDIQDMTSU-UYAOXDASSA-N 0 0 458.611 2.673 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CC[C@H]1COCCO1 ZINC001292091028 1064777509 /nfs/dbraw/zinc/77/75/09/1064777509.db2.gz DOQMHDKVKIDXHQ-OALUTQOASA-N 0 0 451.612 2.786 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Nc3ccccc3)C2)n1C[C@H]1COCCO1 ZINC001292091382 1064778231 /nfs/dbraw/zinc/77/82/31/1064778231.db2.gz USHNIQNXWZRYHU-RTWAWAEBSA-N 0 0 456.591 2.693 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CCn1ccnc1C ZINC001292092675 1064780954 /nfs/dbraw/zinc/78/09/54/1064780954.db2.gz QUJBCTQHHUQCAK-QGZVFWFLSA-N 0 0 471.528 2.949 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001292093040 1064781401 /nfs/dbraw/zinc/78/14/01/1064781401.db2.gz DBHKGGMFEJVLEL-IQGLISFBSA-N 0 0 488.608 2.596 20 0 JFADRN CO[C@@H]1C[C@@H](C(=O)N2CCN(CCc3cccs3)CC2)N(C(=O)OCc2ccccc2)C1 ZINC001292093108 1064781748 /nfs/dbraw/zinc/78/17/48/1064781748.db2.gz NYBAWFYNACEFJV-IRLDBZIGSA-N 0 0 457.596 2.861 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)n1CC1(C(N)=O)CCCC1 ZINC001292094183 1064783203 /nfs/dbraw/zinc/78/32/03/1064783203.db2.gz IHFHIBGGTIRLFG-OALUTQOASA-N 0 0 474.650 2.885 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nnc4n3CCC4)C2)n1CCOC(C)C ZINC001292094741 1064785166 /nfs/dbraw/zinc/78/51/66/1064785166.db2.gz PAGFDRKYDVKXJX-QGZVFWFLSA-N 0 0 458.611 2.543 20 0 JFADRN O=C(NCCc1ccccc1)c1ccc(NC(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)cc1 ZINC001292094798 1064785553 /nfs/dbraw/zinc/78/55/53/1064785553.db2.gz SNNAUQMZFCXUFF-ROUUACIJSA-N 0 0 454.470 2.821 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Cc3noc(C)n3)C2)n1C[C@@](C)(O)c1ccco1 ZINC001292094884 1064786095 /nfs/dbraw/zinc/78/60/95/1064786095.db2.gz PUMWSIXSLUESPH-BXKMTCNYSA-N 0 0 485.589 2.848 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3noc(C(C)C)n3)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001292095075 1064786426 /nfs/dbraw/zinc/78/64/26/1064786426.db2.gz RYZWRNWIANGIDJ-VOIUYBSRSA-N 0 0 486.621 2.565 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](COC)C2)n1Cc1ncnn1-c1ccccc1 ZINC001292095219 1064786800 /nfs/dbraw/zinc/78/68/00/1064786800.db2.gz VGMCJEQXRHSCIY-SFHVURJKSA-N 0 0 466.590 2.688 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccc(OC)cc2OC)n1C[C@@H]1COCCO1 ZINC001292095770 1064787686 /nfs/dbraw/zinc/78/76/86/1064787686.db2.gz GIWMCOYGYFQATR-CTNGQTDRSA-N 0 0 487.601 2.971 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCC3(CCOCC3)C2)n1CCN1CCSCC1 ZINC001292100467 1064790965 /nfs/dbraw/zinc/79/09/65/1064790965.db2.gz DIPYVRAHTOSODH-UHFFFAOYSA-N 0 0 464.680 2.642 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CC[S@](=O)C(C)(C)C ZINC001292100802 1064791366 /nfs/dbraw/zinc/79/13/66/1064791366.db2.gz KZBIVVIICFAFQS-QSDPREHASA-N 0 0 453.653 2.892 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1Cc1cccc(C)c1 ZINC001292100890 1064791771 /nfs/dbraw/zinc/79/17/71/1064791771.db2.gz IOLPYQQFCYMSJI-HXUWFJFHSA-N 0 0 461.632 2.957 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccsc1 ZINC001292101281 1064792136 /nfs/dbraw/zinc/79/21/36/1064792136.db2.gz MRNRXEGFIOGOMN-QGZVFWFLSA-N 0 0 453.634 2.710 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CCN1CCCC[C@@H]1CC ZINC001292101932 1064792185 /nfs/dbraw/zinc/79/21/85/1064792185.db2.gz SRVCLTDYVIBGHT-LEWJYISDSA-N 0 0 496.722 2.865 20 0 JFADRN 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CCC[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001293818812 1066326389 /nfs/dbraw/zinc/32/63/89/1066326389.db2.gz AJCMEDRMCLLGTQ-YADARESESA-N 0 0 457.623 2.882 20 0 JFADRN CCC[C@](C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC=C(COC)CC1 ZINC001293820102 1066327357 /nfs/dbraw/zinc/32/73/57/1066327357.db2.gz ASCYGHIRZVYKIV-DVECYGJZSA-N 0 0 479.622 2.921 20 0 JFADRN CCC[C@@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC001293820953 1066328486 /nfs/dbraw/zinc/32/84/86/1066328486.db2.gz CUSHLMLZYVTCLP-HSZRJFAPSA-N 0 0 499.628 2.949 20 0 JFADRN CCC[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC001293821356 1066328695 /nfs/dbraw/zinc/32/86/95/1066328695.db2.gz PVQCZDZMNXYJFK-HXOBKFHXSA-N 0 0 454.579 2.720 20 0 JFADRN CCC[C@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001293822462 1066330158 /nfs/dbraw/zinc/33/01/58/1066330158.db2.gz NEDFWLUUSRQROE-RRQZXNHTSA-N 0 0 490.649 2.755 20 0 JFADRN CCC[C@](C)(O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001293822457 1066330239 /nfs/dbraw/zinc/33/02/39/1066330239.db2.gz NEDFWLUUSRQROE-CEYNDMKZSA-N 0 0 490.649 2.755 20 0 JFADRN CCC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC001293823673 1066332070 /nfs/dbraw/zinc/33/20/70/1066332070.db2.gz RFRQJUKZSQAYTK-MSZDEVHKSA-N 0 0 490.693 2.540 20 0 JFADRN CCC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC001293824587 1066333494 /nfs/dbraw/zinc/33/34/94/1066333494.db2.gz XSIFVFPXSCEMRK-CPJSRVTESA-N 0 0 473.618 2.673 20 0 JFADRN CCC[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Cl)cc2C1 ZINC001293824966 1066333746 /nfs/dbraw/zinc/33/37/46/1066333746.db2.gz YTHDGZVPETZEIX-IIBYNOLFSA-N 0 0 453.008 2.947 20 0 JFADRN CCC[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC001293824972 1066333840 /nfs/dbraw/zinc/33/38/40/1066333840.db2.gz YUIQAYZAIAVDQR-DEOSSOPVSA-N 0 0 458.607 2.960 20 0 JFADRN Cc1ccc(C)c(S(=O)(=O)NCC(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)c1 ZINC001293830054 1066334356 /nfs/dbraw/zinc/33/43/56/1066334356.db2.gz CTWLANKWYLJVGH-UHFFFAOYSA-N 0 0 456.467 2.570 20 0 JFADRN Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c1C ZINC001293831033 1066335013 /nfs/dbraw/zinc/33/50/13/1066335013.db2.gz LQSOYOBOQZRLOP-HXUWFJFHSA-N 0 0 457.552 2.519 20 0 JFADRN CCC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 ZINC001293832425 1066335686 /nfs/dbraw/zinc/33/56/86/1066335686.db2.gz OTKYKWMIWLIPCA-DEOSSOPVSA-N 0 0 450.591 2.548 20 0 JFADRN CCC[C@](C)(O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001293833505 1066337315 /nfs/dbraw/zinc/33/73/15/1066337315.db2.gz CPWNGIQCYNSRIN-NVQXNPDNSA-N 0 0 485.629 2.853 20 0 JFADRN CCC[C@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001293833988 1066338269 /nfs/dbraw/zinc/33/82/69/1066338269.db2.gz GMDZTJMGCGPAJB-MHZLTWQESA-N 0 0 482.673 2.749 20 0 JFADRN CCC[C@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001293834393 1066338798 /nfs/dbraw/zinc/33/87/98/1066338798.db2.gz HWBLKAWMHPDCHA-LFAGZIFBSA-N 0 0 457.619 2.874 20 0 JFADRN CCC[C@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001293835046 1066339391 /nfs/dbraw/zinc/33/93/91/1066339391.db2.gz KCEMJACPMCDSBU-QHCPKHFHSA-N 0 0 459.566 2.996 20 0 JFADRN CCC[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001293835198 1066339470 /nfs/dbraw/zinc/33/94/70/1066339470.db2.gz KDUFOKQNXBCJSH-QVKFZJNVSA-N 0 0 476.628 2.855 20 0 JFADRN CCC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001293835197 1066339518 /nfs/dbraw/zinc/33/95/18/1066339518.db2.gz KDUFOKQNXBCJSH-BTYIYWSLSA-N 0 0 476.628 2.855 20 0 JFADRN CCC[C@@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2nccc(OC)n2)CC1 ZINC001293836657 1066340911 /nfs/dbraw/zinc/34/09/11/1066340911.db2.gz QAKUBNJJRCGBFT-RUZDIDTESA-N 0 0 465.602 2.740 20 0 JFADRN CCC[C@@](C)(O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001293836887 1066341335 /nfs/dbraw/zinc/34/13/35/1066341335.db2.gz QTXNSPVAQCUKBP-HSZRJFAPSA-N 0 0 464.632 2.941 20 0 JFADRN CCC[C@@](C)(O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001293837596 1066342740 /nfs/dbraw/zinc/34/27/40/1066342740.db2.gz VFAAWLSOPGMZJN-YADARESESA-N 0 0 456.591 2.581 20 0 JFADRN CCC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2cscn2)CC1 ZINC001293838261 1066342755 /nfs/dbraw/zinc/34/27/55/1066342755.db2.gz XSWYWMRJJIIKKU-QFIPXVFZSA-N 0 0 489.671 2.599 20 0 JFADRN CCC[C@](C)(O)Cn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001293843200 1066344769 /nfs/dbraw/zinc/34/47/69/1066344769.db2.gz DHYAXHAFPGMHOP-HXOBKFHXSA-N 0 0 474.631 2.686 20 0 JFADRN CCC[C@@](C)(O)Cn1c(N2CCN(c3ccccc3OC)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001293843168 1066344823 /nfs/dbraw/zinc/34/48/23/1066344823.db2.gz CZEOQGUEFHBOTN-RPBOFIJWSA-N 0 0 473.618 2.817 20 0 JFADRN CCC[C@@](C)(O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC001293843781 1066345141 /nfs/dbraw/zinc/34/51/41/1066345141.db2.gz JTYZOHLRVZPYJP-HOYKHHGWSA-N 0 0 498.657 2.962 20 0 JFADRN CCC[C@@](C)(O)Cn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001293843901 1066345311 /nfs/dbraw/zinc/34/53/11/1066345311.db2.gz LSVSDKYNXURRTM-AREMUKBSSA-N 0 0 482.673 2.946 20 0 JFADRN CCC[C@@](C)(O)Cn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001293844193 1066346406 /nfs/dbraw/zinc/34/64/06/1066346406.db2.gz QYACTKGZTNROOO-MOPGFXCFSA-N 0 0 464.529 2.763 20 0 JFADRN CCC[C@](C)(O)Cn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001293844195 1066346464 /nfs/dbraw/zinc/34/64/64/1066346464.db2.gz QYACTKGZTNROOO-RBUKOAKNSA-N 0 0 464.529 2.763 20 0 JFADRN CCC[C@](C)(O)Cn1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001293844277 1066346750 /nfs/dbraw/zinc/34/67/50/1066346750.db2.gz SLZSQSGAPBRNIY-LOSJGSFVSA-N 0 0 489.592 2.583 20 0 JFADRN CCC[C@@](C)(O)Cn1c(N2CCCN(C(=O)c3ccsc3)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001293844463 1066347248 /nfs/dbraw/zinc/34/72/48/1066347248.db2.gz VQEBRRACJCWSPV-RPWUZVMVSA-N 0 0 491.658 2.895 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)cc2C1 ZINC001293845878 1066348771 /nfs/dbraw/zinc/34/87/71/1066348771.db2.gz CMTLVTFAPWXISV-HZPDHXFCSA-N 0 0 497.065 2.657 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(F)c2)C1 ZINC001293846492 1066349340 /nfs/dbraw/zinc/34/93/40/1066349340.db2.gz GTRVNMFOCHCUNR-PXNSSMCTSA-N 0 0 474.581 2.686 20 0 JFADRN CCC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC001293847888 1066350089 /nfs/dbraw/zinc/35/00/89/1066350089.db2.gz NLILCXVWKLBBII-CIEVZJJWSA-N 0 0 475.638 2.678 20 0 JFADRN CCC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001293848594 1066350920 /nfs/dbraw/zinc/35/09/20/1066350920.db2.gz SZDJAHJBXADXNO-OWHZGTRUSA-N 0 0 485.629 2.577 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C)o2)nnc1N1CCC(Cn2ccnn2)CC1 ZINC001293849482 1066352632 /nfs/dbraw/zinc/35/26/32/1066352632.db2.gz BRFYWUQHERGFDR-KRWDZBQOSA-N 0 0 454.579 2.907 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001293849463 1066352928 /nfs/dbraw/zinc/35/29/28/1066352928.db2.gz HYXJDGPPPPVJRX-KSFYIVLOSA-N 0 0 495.049 2.561 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001293849623 1066353150 /nfs/dbraw/zinc/35/31/50/1066353150.db2.gz ISMONDWTEVJBAO-ICSRJNTNSA-N 0 0 498.628 2.764 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCNC(=O)C1 ZINC001293849781 1066353589 /nfs/dbraw/zinc/35/35/89/1066353589.db2.gz FQNZKDQRCIFNFG-HOTGVXAUSA-N 0 0 462.982 2.560 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccccc2)nnc1N1CCN(c2nccc(OC)n2)CC1 ZINC001293849794 1066354058 /nfs/dbraw/zinc/35/40/58/1066354058.db2.gz KALRNRRUBJWHQF-IBGZPJMESA-N 0 0 478.601 2.623 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2ccccc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001293850148 1066355100 /nfs/dbraw/zinc/35/51/00/1066355100.db2.gz NQEYBULOKMCQHT-LJQANCHMSA-N 0 0 490.674 2.666 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(Br)c2)nnc1N1CCC(C(N)=O)CC1 ZINC001293850149 1066355231 /nfs/dbraw/zinc/35/52/31/1066355231.db2.gz HYXSJEUIIFCVES-OAHLLOKOSA-N 0 0 491.434 2.962 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001293850733 1066356686 /nfs/dbraw/zinc/35/66/86/1066356686.db2.gz SUKUNVRAIPUMBD-RDJZCZTQSA-N 0 0 498.049 2.783 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(Br)cc2)nnc1N1CCS(=O)CC1 ZINC001293850981 1066357028 /nfs/dbraw/zinc/35/70/28/1066357028.db2.gz OEMKJHAMKCTOKU-OAHLLOKOSA-N 0 0 482.448 2.829 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001293851925 1066357993 /nfs/dbraw/zinc/35/79/93/1066357993.db2.gz WUEIGRHUNYKRKE-PKOBYXMFSA-N 0 0 484.601 2.579 20 0 JFADRN 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CC(=O)N1CCN(CCn2c([C@H]3CCCCO3)nnc2N(C)CCOc2cccc(Cl)c2)CC1 ZINC001286892589 1061365756 /nfs/dbraw/zinc/36/57/56/1061365756.db2.gz XNTHDSBPLZYQGM-JOCHJYFZSA-N 0 0 491.036 2.852 20 0 JFADRN CC(=O)N1CCN(CCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2cccc(Cl)c2)CC1 ZINC001286892594 1061365809 /nfs/dbraw/zinc/36/58/09/1061365809.db2.gz XQJLXWYRBKGQBH-NRFANRHFSA-N 0 0 461.010 2.974 20 0 JFADRN Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)(C)C)n3CCCS(C)(=O)=O)C2)nc1 ZINC001289747107 1061366115 /nfs/dbraw/zinc/36/61/15/1061366115.db2.gz GPORWAYSZFNHRW-KRWDZBQOSA-N 0 0 462.620 2.569 20 0 JFADRN CC(=O)Nc1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC001286892744 1061366230 /nfs/dbraw/zinc/36/62/30/1061366230.db2.gz UPNQMFSQFCRZGD-VQTJNVASSA-N 0 0 454.575 2.682 20 0 JFADRN CC(=O)N1CCN(CCn2c(C3CCCC3)nnc2N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC001286892679 1061366290 /nfs/dbraw/zinc/36/62/90/1061366290.db2.gz ZNTCEWYULQRCCR-UHFFFAOYSA-N 0 0 454.623 2.650 20 0 JFADRN Cc1ccoc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001289748099 1061368050 /nfs/dbraw/zinc/36/80/50/1061368050.db2.gz NWHWBYZIQYUBOT-GOSISDBHSA-N 0 0 465.558 2.925 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)cn1 ZINC001286893922 1061370584 /nfs/dbraw/zinc/37/05/84/1061370584.db2.gz XVCONRKDPOKYIQ-IERDGZPVSA-N 0 0 477.569 2.756 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC(=O)NC(C)C)cn1 ZINC001286893850 1061370615 /nfs/dbraw/zinc/37/06/15/1061370615.db2.gz VXLMKYYOKWNZLM-UHFFFAOYSA-N 0 0 492.584 2.510 20 0 JFADRN CC(=O)Nc1ccc(CCn2c(N3CC[C@@H](C)[C@@H](O)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001286893955 1061370633 /nfs/dbraw/zinc/37/06/33/1061370633.db2.gz YXCZFZTVYLBERS-MOADCYBESA-N 0 0 471.602 2.727 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(C(C)C)nnc2N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cn1 ZINC001286893927 1061370649 /nfs/dbraw/zinc/37/06/49/1061370649.db2.gz XXPVMPDEHIOCGH-HNNXBMFYSA-N 0 0 471.587 2.648 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@H](C)[C@@H]2C)cn1 ZINC001286894022 1061370889 /nfs/dbraw/zinc/37/08/89/1061370889.db2.gz JXAJXYOPYFFXRT-HOTGVXAUSA-N 0 0 468.583 2.985 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(Cc3ccccc3C)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)cn1 ZINC001286894692 1061372756 /nfs/dbraw/zinc/37/27/56/1061372756.db2.gz KCWOVEYUPPBYSQ-JOCHJYFZSA-N 0 0 496.637 2.983 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2CCN(c3nc(C)cs3)CC2)cn1 ZINC001286894443 1061372778 /nfs/dbraw/zinc/37/27/78/1061372778.db2.gz FPMRZJOPKXHLQC-UHFFFAOYSA-N 0 0 454.604 2.970 20 0 JFADRN Cc1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC(=O)Nc2ccc(C)cc2)on1 ZINC001289751639 1061373535 /nfs/dbraw/zinc/37/35/35/1061373535.db2.gz VXIXIHRSHOIGPA-UHFFFAOYSA-N 0 0 460.498 2.653 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCOC[C@H]2C)cc1 ZINC001289751633 1061373619 /nfs/dbraw/zinc/37/36/19/1061373619.db2.gz VSEQSNKKIHINMN-RTBURBONSA-N 0 0 477.569 2.981 20 0 JFADRN Cc1ccc(NC(=O)C2CCN(c3nnc([C@H]4CCC(=O)N4)n3C[C@@](C)(O)CCC(C)C)CC2)nc1 ZINC001289751872 1061373933 /nfs/dbraw/zinc/37/39/33/1061373933.db2.gz XNBMLTRYFWWJCP-IBVKSMDESA-N 0 0 497.644 2.975 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC001289752614 1061373976 /nfs/dbraw/zinc/37/39/76/1061373976.db2.gz AIBJXMRJUWWVAB-ICSRJNTNSA-N 0 0 475.615 2.728 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCOc2ccccc2Cl)cn1 ZINC001286895080 1061374314 /nfs/dbraw/zinc/37/43/14/1061374314.db2.gz FZELDGRCTDPYGY-GOSISDBHSA-N 0 0 483.960 2.800 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS[C@H](C(C)C)C2)cc1 ZINC001286895235 1061374974 /nfs/dbraw/zinc/37/49/74/1061374974.db2.gz QAUABZYDGXDGSG-QUCCMNQESA-N 0 0 477.656 2.765 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC[C@@H]2CCCCO2)cc1 ZINC001289752771 1061375002 /nfs/dbraw/zinc/37/50/02/1061375002.db2.gz FJGNUFLUUJNQHL-VQTJNVASSA-N 0 0 454.575 2.962 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc(-c3cc(Br)cn3C)n2CC(=O)N(C)C)cc1 ZINC001289753869 1061375523 /nfs/dbraw/zinc/37/55/23/1061375523.db2.gz NUGCKCCUGDCOKD-UHFFFAOYSA-N 0 0 488.390 2.518 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001289753920 1061375750 /nfs/dbraw/zinc/37/57/50/1061375750.db2.gz OIWPMGZQYKREHA-LJQANCHMSA-N 0 0 491.518 2.920 20 0 JFADRN Cc1nc(C)c(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(=O)Nc2ccc(C)cc2)s1 ZINC001289753895 1061375866 /nfs/dbraw/zinc/37/58/66/1061375866.db2.gz OEVXDJFDESVXDS-KRWDZBQOSA-N 0 0 453.572 2.734 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCCOc2ccccc2C)cn1 ZINC001286895670 1061375975 /nfs/dbraw/zinc/37/59/75/1061375975.db2.gz MJRPFLGAHWLLTH-FQEVSTJZSA-N 0 0 477.569 2.845 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCCOc2ccccc2C)cn1 ZINC001286895672 1061375993 /nfs/dbraw/zinc/37/59/93/1061375993.db2.gz MJRPFLGAHWLLTH-HXUWFJFHSA-N 0 0 477.569 2.845 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(C(=O)C(C)C)CC2)cc1 ZINC001286895681 1061376382 /nfs/dbraw/zinc/37/63/82/1061376382.db2.gz MKKNKQXCZGWCFP-NRFANRHFSA-N 0 0 454.575 2.831 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccsc2)cc1 ZINC001289754614 1061376646 /nfs/dbraw/zinc/37/66/46/1061376646.db2.gz VEOHFFUQSXWTKL-JPYJTQIMSA-N 0 0 468.583 2.582 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2nccs2)cn1 ZINC001286895850 1061376876 /nfs/dbraw/zinc/37/68/76/1061376876.db2.gz BHKWQUOHNQAFRR-UHFFFAOYSA-N 0 0 451.560 2.634 20 0 JFADRN Cc1nc(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2C[C@@H]2NC(=O)CC2(C)C)cs1 ZINC001289755329 1061377264 /nfs/dbraw/zinc/37/72/64/1061377264.db2.gz AIRZWJPQJYOPOK-IBGZPJMESA-N 0 0 481.626 2.932 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(COc3cc(C)ccc3C)nnc2N2CCC[C@@H](NC(C)=O)C2)cn1 ZINC001286896255 1061378793 /nfs/dbraw/zinc/37/87/93/1061378793.db2.gz JOELKZJUVOMWPI-JOCHJYFZSA-N 0 0 491.596 2.981 20 0 JFADRN 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Cc1ccc(O[C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1 ZINC001289758640 1061380239 /nfs/dbraw/zinc/38/02/39/1061380239.db2.gz DJURBVFRBUGHEC-NRFANRHFSA-N 0 0 477.613 2.763 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)cc1 ZINC001286896658 1061380414 /nfs/dbraw/zinc/38/04/14/1061380414.db2.gz NACGOSZKPSIUJV-OAQYLSRUSA-N 0 0 495.628 2.538 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C(F)(F)F)C2)cc1 ZINC001286896822 1061380656 /nfs/dbraw/zinc/38/06/56/1061380656.db2.gz VNJRBMDGSFLDIJ-WMZOPIPTSA-N 0 0 453.465 2.946 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC001286896819 1061380722 /nfs/dbraw/zinc/38/07/22/1061380722.db2.gz VNJRBMDGSFLDIJ-FUHWJXTLSA-N 0 0 453.465 2.946 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(O)(C(F)(F)F)CC2)cc1 ZINC001289759368 1061381595 /nfs/dbraw/zinc/38/15/95/1061381595.db2.gz LZIBMDMYFKJRMI-DOTOQJQBSA-N 0 0 467.492 2.899 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC(=O)N(C)[C@@H](C)C2)c1 ZINC001286897475 1061382637 /nfs/dbraw/zinc/38/26/37/1061382637.db2.gz PFWFHAHWDVOMHT-SAWYMBPVSA-N 0 0 468.602 2.870 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cc1 ZINC001289760637 1061382861 /nfs/dbraw/zinc/38/28/61/1061382861.db2.gz WDZUKFAHNOPTLR-ZWKOTPCHSA-N 0 0 486.598 2.571 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(-c3cccc4cccnc43)nnc2N(C)[C@H](C)CS(C)(=O)=O)cn1 ZINC001286897665 1061383091 /nfs/dbraw/zinc/38/30/91/1061383091.db2.gz OTGHSPUEQVVGAO-MRXNPFEDSA-N 0 0 493.593 2.764 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(-c3cccn3C)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC001286897779 1061383438 /nfs/dbraw/zinc/38/34/38/1061383438.db2.gz AXJFBLIJGAUYNQ-CVEARBPZSA-N 0 0 458.588 2.548 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001286897985 1061383989 /nfs/dbraw/zinc/38/39/89/1061383989.db2.gz CVRLWRRBQQVQCD-DBVUQKKJSA-N 0 0 474.631 2.912 20 0 JFADRN 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ZINC001286959712 1061730005 /nfs/dbraw/zinc/73/00/05/1061730005.db2.gz XLOZMNWQULXQGT-UHFFFAOYSA-N 0 0 452.584 2.897 20 0 JFADRN Cc1cccc(CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)n1 ZINC001290003968 1061730162 /nfs/dbraw/zinc/73/01/62/1061730162.db2.gz WFVNKNGXYROICT-NRFANRHFSA-N 0 0 481.645 2.839 20 0 JFADRN Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1 ZINC001290004269 1061730782 /nfs/dbraw/zinc/73/07/82/1061730782.db2.gz ZIYQBBKLXNPPIL-HXUWFJFHSA-N 0 0 469.634 2.884 20 0 JFADRN Cc1cccc(CCCn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCS(C)(=O)=O)n1 ZINC001290008173 1061732504 /nfs/dbraw/zinc/73/25/04/1061732504.db2.gz RDZDIOWFBFKBRO-UHFFFAOYSA-N 0 0 479.610 2.948 20 0 JFADRN Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)n1 ZINC001290010206 1061734352 /nfs/dbraw/zinc/73/43/52/1061734352.db2.gz ZAZGUTJMVGOEGA-UHFFFAOYSA-N 0 0 471.512 2.716 20 0 JFADRN Cc1cccc(CCCn2c(Cc3ccsc3)nnc2N2CCN(CC(=O)NC(C)C)CC2)n1 ZINC001290010169 1061734414 /nfs/dbraw/zinc/73/44/14/1061734414.db2.gz XZLPIRCODGHZST-UHFFFAOYSA-N 0 0 481.670 2.913 20 0 JFADRN CC(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(Br)cc1 ZINC001286961031 1061734550 /nfs/dbraw/zinc/73/45/50/1061734550.db2.gz HXFXYCKRXUDHRN-UHFFFAOYSA-N 0 0 489.374 2.931 20 0 JFADRN Cc1nc(Cc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCCc2cccc(C)n2)cs1 ZINC001290010886 1061735246 /nfs/dbraw/zinc/73/52/46/1061735246.db2.gz YQBVVWKHRGINHP-LJQANCHMSA-N 0 0 460.629 2.593 20 0 JFADRN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)NCc2ccc(S(N)(=O)=O)s2)C1 ZINC001290012710 1061735710 /nfs/dbraw/zinc/73/57/10/1061735710.db2.gz MDDVFZLKXRODEB-SJLPKXTDSA-N 0 0 479.624 2.738 20 0 JFADRN NS(=O)(=O)c1ccc(CNC(=O)c2ccc(OC(F)(F)F)cc2Br)s1 ZINC001290012485 1061735831 /nfs/dbraw/zinc/73/58/31/1061735831.db2.gz IHBIFKFUYHMZHA-UHFFFAOYSA-N 0 0 459.265 2.987 20 0 JFADRN Cc1cccc2c1C[C@@H](C(=O)NCc1ccc(S(N)(=O)=O)s1)N2C(=O)OC(C)(C)C ZINC001290013603 1061736236 /nfs/dbraw/zinc/73/62/36/1061736236.db2.gz XPXJDGXQYWMNLH-INIZCTEOSA-N 0 0 451.570 2.687 20 0 JFADRN CC(=O)NCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 ZINC001286962438 1061737126 /nfs/dbraw/zinc/73/71/26/1061737126.db2.gz MKKBUEHDOIVTCL-SFHVURJKSA-N 0 0 453.522 2.757 20 0 JFADRN Cc1cccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)n1 ZINC001290015544 1061737986 /nfs/dbraw/zinc/73/79/86/1061737986.db2.gz QWWAXZSPEGFOKE-IBGZPJMESA-N 0 0 469.590 2.669 20 0 JFADRN Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)c1 ZINC001290015576 1061738029 /nfs/dbraw/zinc/73/80/29/1061738029.db2.gz FEYMJEUQYBLICH-IBGZPJMESA-N 0 0 490.674 2.523 20 0 JFADRN Cc1cccc(CCn2c(-c3ccc(Br)cc3)nnc2N2CCN(C)C(=O)C2)n1 ZINC001290016426 1061739083 /nfs/dbraw/zinc/73/90/83/1061739083.db2.gz HXJZLXGDGIBNRG-UHFFFAOYSA-N 0 0 455.360 2.932 20 0 JFADRN NS(=O)(=O)c1cc(C(=O)N2CC(OCCCc3ccccc3)C2)sc1Br ZINC001294226796 1061739496 /nfs/dbraw/zinc/73/94/96/1061739496.db2.gz GQJPHAIHUFOJPC-UHFFFAOYSA-N 0 0 459.387 2.632 20 0 JFADRN Cc1cccc(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC001290016885 1061740211 /nfs/dbraw/zinc/74/02/11/1061740211.db2.gz OOAXHWPWHNEMES-ZWKOTPCHSA-N 0 0 470.599 2.734 20 0 JFADRN CC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001286965125 1061740238 /nfs/dbraw/zinc/74/02/38/1061740238.db2.gz YEOPMADUBJKASD-ZIAGYGMSSA-N 0 0 485.536 2.615 20 0 JFADRN Cc1cccc(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@@H]2CCOC2)n1 ZINC001290017034 1061740732 /nfs/dbraw/zinc/74/07/32/1061740732.db2.gz QHCVOAJNEVWOBX-IBGZPJMESA-N 0 0 484.626 2.614 20 0 JFADRN Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](OC(C)(C)C)C2)n1 ZINC001290017167 1061741454 /nfs/dbraw/zinc/74/14/54/1061741454.db2.gz QWKNIXBZXIBOQV-MJGOQNOKSA-N 0 0 464.636 2.618 20 0 JFADRN Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cc(F)c(F)c(F)c2)n1 ZINC001290018128 1061742524 /nfs/dbraw/zinc/74/25/24/1061742524.db2.gz VZHRNPZSWNHPSQ-CQSZACIVSA-N 0 0 482.532 2.888 20 0 JFADRN Cc1cccc(CCn2c([C@@H]3CCOC3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)n1 ZINC001290022288 1061743689 /nfs/dbraw/zinc/74/36/89/1061743689.db2.gz OOUJUGCZNSIGDP-QGZVFWFLSA-N 0 0 466.508 2.623 20 0 JFADRN Cc1cccc(CCn2c([C@@H]3CCCOC3)nnc2N(C)CC(C)(C)CN2CCOCC2)n1 ZINC001290022959 1061744399 /nfs/dbraw/zinc/74/43/99/1061744399.db2.gz RCSKSHVMQRBHIJ-OAQYLSRUSA-N 0 0 456.635 2.913 20 0 JFADRN Cc1cccc(CCn2c(COc3ccc(F)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC001290024724 1061745619 /nfs/dbraw/zinc/74/56/19/1061745619.db2.gz UKDAIZRUNODEMM-LJQANCHMSA-N 0 0 459.547 2.566 20 0 JFADRN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CNC(=O)CC(C)(C)C)c1 ZINC001290029119 1061747986 /nfs/dbraw/zinc/74/79/86/1061747986.db2.gz SOEDUBZNCLLMEP-UHFFFAOYSA-N 0 0 452.621 2.808 20 0 JFADRN C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3ccccc3Cl)n2CCOCC(F)F)CC1 ZINC001286971932 1061750555 /nfs/dbraw/zinc/75/05/55/1061750555.db2.gz CDXGLZFBBGISFR-HNNXBMFYSA-N 0 0 482.963 2.669 20 0 JFADRN COc1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)ccc1Br ZINC001294238163 1061750599 /nfs/dbraw/zinc/75/05/99/1061750599.db2.gz GTFRIFAGWSGVSQ-PBHICJAKSA-N 0 0 451.292 2.740 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccoc1 ZINC001286971962 1061751127 /nfs/dbraw/zinc/75/11/27/1061751127.db2.gz CUJYNHQVCKLBHG-CABCVRRESA-N 0 0 479.990 2.761 20 0 JFADRN C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC(F)F)CC1 ZINC001286971973 1061751714 /nfs/dbraw/zinc/75/17/14/1061751714.db2.gz MIPJDVYNVMKSHY-INIZCTEOSA-N 0 0 497.978 2.756 20 0 JFADRN Cc1cccc(CCn2c(CCCc3ccccc3)nnc2N2CCC(NS(C)(=O)=O)CC2)n1 ZINC001290036935 1061752004 /nfs/dbraw/zinc/75/20/04/1061752004.db2.gz LWOXECOEIMNFPX-UHFFFAOYSA-N 0 0 482.654 2.918 20 0 JFADRN C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001286972124 1061752390 /nfs/dbraw/zinc/75/23/90/1061752390.db2.gz OFDUREZIASBHPN-GOSISDBHSA-N 0 0 493.578 2.985 20 0 JFADRN Cc1cccc(CN2CCN(c3nnc([C@H]4CCOC4)n3CC[S@](=O)C(C)(C)C)CC2)c1 ZINC001290037036 1061752429 /nfs/dbraw/zinc/75/24/29/1061752429.db2.gz ASQALIRUFFOFID-MNAQKMTRSA-N 0 0 459.660 2.960 20 0 JFADRN C[C@@H](NC(=O)c1[nH]ncc1I)c1cc(F)ccc1N1CCC(O)CC1 ZINC001294242504 1061752668 /nfs/dbraw/zinc/75/26/68/1061752668.db2.gz RCYBVXNBHSVQRF-SNVBAGLBSA-N 0 0 458.275 2.606 20 0 JFADRN C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C(C)(C)O)c2)CC1 ZINC001286972362 1061752796 /nfs/dbraw/zinc/75/27/96/1061752796.db2.gz GSJFWBVHRVNVED-IBGZPJMESA-N 0 0 482.673 2.932 20 0 JFADRN Cc1cccc(N2CCN(c3nnc(C(C)(C)C)n3CCC(=O)N3CCOCC3)CC2)c1C ZINC001290037159 1061753089 /nfs/dbraw/zinc/75/30/89/1061753089.db2.gz FPAMZWYNVLYPCF-UHFFFAOYSA-N 0 0 454.619 2.768 20 0 JFADRN CCCCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(F)(F)F)cs1 ZINC001294244629 1061753869 /nfs/dbraw/zinc/75/38/69/1061753869.db2.gz IWKPVORUZVWIGR-CYBMUJFWSA-N 0 0 496.581 2.761 20 0 JFADRN Cc1nccn1CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(C)c2C)CC1 ZINC001290037318 1061753951 /nfs/dbraw/zinc/75/39/51/1061753951.db2.gz KHVUKUBNPVPDIZ-UHFFFAOYSA-N 0 0 450.591 2.565 20 0 JFADRN C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CCCNc2ccccn2)CC1 ZINC001286972426 1061754214 /nfs/dbraw/zinc/75/42/14/1061754214.db2.gz RPRDJVOBMNYESN-FQEVSTJZSA-N 0 0 468.650 2.606 20 0 JFADRN CCCCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)C1(OC)CCOCC1 ZINC001294245407 1061754351 /nfs/dbraw/zinc/75/43/51/1061754351.db2.gz NSODSHCZZYOZCV-INIZCTEOSA-N 0 0 464.579 2.638 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccco1 ZINC001286972586 1061754912 /nfs/dbraw/zinc/75/49/12/1061754912.db2.gz IWMQHQPDZYCYHL-RYUDHWBXSA-N 0 0 456.366 2.935 20 0 JFADRN Cc1cccc(CCn2c(CC3CC3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC001290037641 1061755036 /nfs/dbraw/zinc/75/50/36/1061755036.db2.gz TXSBLYLHDFKSJU-HXUWFJFHSA-N 0 0 456.591 2.907 20 0 JFADRN Cc1cccc(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3cccs3)CC2)c1C ZINC001290037857 1061755076 /nfs/dbraw/zinc/75/50/76/1061755076.db2.gz UUPGNVLSOHMHBY-SFHVURJKSA-N 0 0 474.656 2.942 20 0 JFADRN CCCCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CCCCC1 ZINC001294247865 1061755104 /nfs/dbraw/zinc/75/51/04/1061755104.db2.gz WSQXDJGBGAECCK-KNQAVFIVSA-N 0 0 471.668 2.569 20 0 JFADRN C[C@]1(CCC(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CCC(=O)N1 ZINC001290039356 1061755549 /nfs/dbraw/zinc/75/55/49/1061755549.db2.gz CKYRTQMLGFOPQO-QFIPXVFZSA-N 0 0 459.524 2.646 20 0 JFADRN CCCCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2ncccc2c1 ZINC001294248471 1061755590 /nfs/dbraw/zinc/75/55/90/1061755590.db2.gz YSFXDJFLCHSXND-NRFANRHFSA-N 0 0 472.615 2.834 20 0 JFADRN CCCCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc2[nH]ccc21 ZINC001294248478 1061755612 /nfs/dbraw/zinc/75/56/12/1061755612.db2.gz YXTPOMSSSQKDDU-NRFANRHFSA-N 0 0 474.631 2.961 20 0 JFADRN COc1ccc(C2N=NC(=S)N2CC(=O)N2CC(OCCCOc3ccccc3)C2)cc1 ZINC001294249673 1061756131 /nfs/dbraw/zinc/75/61/31/1061756131.db2.gz LQDCKIBPMSBBJI-UHFFFAOYSA-N 0 0 454.552 2.939 20 0 JFADRN O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N1CC(OCCCOc2ccccc2)C1 ZINC001294249469 1061756159 /nfs/dbraw/zinc/75/61/59/1061756159.db2.gz JEMHWGUIWSQZBE-LJQANCHMSA-N 0 0 450.582 2.598 20 0 JFADRN O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CC(OCCCOc2ccccc2)C1 ZINC001294249468 1061756281 /nfs/dbraw/zinc/75/62/81/1061756281.db2.gz JEMHWGUIWSQZBE-IBGZPJMESA-N 0 0 450.582 2.598 20 0 JFADRN C[C@H](C(=O)NC1CCCC1)N1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CCC[C@H]2C)CC1 ZINC001286972909 1061757107 /nfs/dbraw/zinc/75/71/07/1061757107.db2.gz KTHMVKWOQDPYNW-XMERXJNXSA-N 0 0 474.694 2.987 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCO1 ZINC001286972919 1061757168 /nfs/dbraw/zinc/75/71/68/1061757168.db2.gz LDDOHZDRVOQEKV-NUJGCVRESA-N 0 0 458.588 2.772 20 0 JFADRN CCCCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1 ZINC001294251828 1061757293 /nfs/dbraw/zinc/75/72/93/1061757293.db2.gz BDGGDJVPDPRLGK-RBUKOAKNSA-N 0 0 467.611 2.876 20 0 JFADRN O=C(NCCOCc1ccccc1)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO ZINC001294253033 1061757774 /nfs/dbraw/zinc/75/77/74/1061757774.db2.gz FLZSWMILEKECHY-GOSISDBHSA-N 0 0 452.598 2.620 20 0 JFADRN CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2oc3ccccc3c2Br)CC1 ZINC001294252439 1061757855 /nfs/dbraw/zinc/75/78/55/1061757855.db2.gz ATTAYKRHKBRFCF-UHFFFAOYSA-N 0 0 459.362 2.708 20 0 JFADRN Cc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001290041810 1061758354 /nfs/dbraw/zinc/75/83/54/1061758354.db2.gz QISKIDCOGAKQAN-UHFFFAOYSA-N 0 0 481.645 2.613 20 0 JFADRN CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC001294252910 1061758512 /nfs/dbraw/zinc/75/85/12/1061758512.db2.gz AQWXSXZUEIEOHE-LJQANCHMSA-N 0 0 457.966 2.764 20 0 JFADRN Cc1cccc(N2CCN(c3nnc(Cc4ccsc4)n3CCS(=O)(=O)N(C)C)CC2)c1C ZINC001290041815 1061758403 /nfs/dbraw/zinc/75/84/03/1061758403.db2.gz QNLHIFKMLKLZQA-UHFFFAOYSA-N 0 0 488.683 2.765 20 0 JFADRN Cc1cccc(N2CCN(c3nnc(CNC(=O)c4cccs4)n3CC(=O)NC(C)C)CC2)c1C ZINC001290041824 1061758465 /nfs/dbraw/zinc/75/84/65/1061758465.db2.gz QVAKBUZCOHZRAZ-UHFFFAOYSA-N 0 0 495.653 2.738 20 0 JFADRN Cc1cccc(N2CCN(c3nnc([C@H]4CCCCO4)n3CC(=O)NCC(F)(F)F)CC2)c1 ZINC001290041997 1061758497 /nfs/dbraw/zinc/75/84/97/1061758497.db2.gz YGXCYVOOMLWURF-GOSISDBHSA-N 0 0 466.508 2.833 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(F)(F)F ZINC001286973075 1061758510 /nfs/dbraw/zinc/75/85/10/1061758510.db2.gz MCVOBUHFQKBABJ-UWVGGRQHSA-N 0 0 472.331 2.866 20 0 JFADRN CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001294254559 1061758954 /nfs/dbraw/zinc/75/89/54/1061758954.db2.gz GLZTWYRVOQJXKD-ULQDDVLXSA-N 0 0 470.640 2.524 20 0 JFADRN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)[C@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC001290043020 1061759210 /nfs/dbraw/zinc/75/92/10/1061759210.db2.gz QVWQUUXOBAOOAG-PGRDOPGGSA-N 0 0 457.596 2.943 20 0 JFADRN Cc1cc([C@@](C)(O)Cn2c(COc3cccc(C)c3)nnc2N(C)[C@@H](C)CC(N)=O)c(C)o1 ZINC001290043793 1061759582 /nfs/dbraw/zinc/75/95/82/1061759582.db2.gz DSSNCZQLNOCVDA-FYSMJZIKSA-N 0 0 455.559 2.983 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001286973275 1061759676 /nfs/dbraw/zinc/75/96/76/1061759676.db2.gz ORFOOAGZRVABSE-GJZGRUSLSA-N 0 0 487.548 2.839 20 0 JFADRN CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCS[C@@H]4CCCC[C@H]43)CS(=O)(=O)[C@@H]2C1 ZINC001294255207 1061760150 /nfs/dbraw/zinc/76/01/50/1061760150.db2.gz OUTGAAALRQDNDV-DUQPFJRNSA-N 0 0 458.646 2.543 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001286973276 1061760166 /nfs/dbraw/zinc/76/01/66/1061760166.db2.gz ORFOOAGZRVABSE-HUUCEWRRSA-N 0 0 487.548 2.839 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC001286973277 1061760232 /nfs/dbraw/zinc/76/02/32/1061760232.db2.gz ORFOOAGZRVABSE-LSDHHAIUSA-N 0 0 487.548 2.839 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)[C@H](C)c3ccco3)n2CCN2CCCS2(=O)=O)c1 ZINC001290043814 1061760263 /nfs/dbraw/zinc/76/02/63/1061760263.db2.gz DUYYHEFQHBQULN-GOSISDBHSA-N 0 0 459.572 2.991 20 0 JFADRN Cc1cccc(NC2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H]3CCOC[C@H]3C)CC2)c1 ZINC001290044222 1061760400 /nfs/dbraw/zinc/76/04/00/1061760400.db2.gz HMSWKWVPVAFZGP-AABGKKOBSA-N 0 0 490.674 2.950 20 0 JFADRN CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC001294255333 1061760769 /nfs/dbraw/zinc/76/07/69/1061760769.db2.gz IVIGVIHZNMOETL-GOSISDBHSA-N 0 0 487.630 2.666 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2Cc2nccc(C(F)F)n2)c1 ZINC001290044277 1061760880 /nfs/dbraw/zinc/76/08/80/1061760880.db2.gz JTUCEVNFPYSFHU-HNNXBMFYSA-N 0 0 480.541 2.811 20 0 JFADRN CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001294257437 1061761117 /nfs/dbraw/zinc/76/11/17/1061761117.db2.gz VLGFBMMOYOAHEE-UHFFFAOYSA-N 0 0 462.620 2.808 20 0 JFADRN CS(=O)(=O)C[C@@H](NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O)c1ccccc1 ZINC001294257880 1061761169 /nfs/dbraw/zinc/76/11/69/1061761169.db2.gz MNBWUBSTUAKXPY-GOSISDBHSA-N 0 0 453.545 2.939 20 0 JFADRN CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC001294257781 1061761329 /nfs/dbraw/zinc/76/13/29/1061761329.db2.gz PRLFZWRZXCSMCV-KRWDZBQOSA-N 0 0 450.609 2.689 20 0 JFADRN Cc1cccc(NC2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H]3CC(F)(F)CO3)CC2)c1 ZINC001290044821 1061761409 /nfs/dbraw/zinc/76/14/09/1061761409.db2.gz QWVVLEGKIAYTDH-LPHOPBHVSA-N 0 0 498.600 2.702 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@@H]2CCCOC2)c1 ZINC001290044742 1061761539 /nfs/dbraw/zinc/76/15/39/1061761539.db2.gz ODVOSPKTGPNQHC-QRVBRYPASA-N 0 0 450.605 2.850 20 0 JFADRN CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC001294260381 1061762270 /nfs/dbraw/zinc/76/22/70/1061762270.db2.gz HCFDJJAWOZBMCT-WZONZLPQSA-N 0 0 477.631 2.770 20 0 JFADRN C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(F)c(F)c2)CC1 ZINC001286973514 1061762836 /nfs/dbraw/zinc/76/28/36/1061762836.db2.gz SLJAOIAXXXZPFO-INIZCTEOSA-N 0 0 460.573 2.982 20 0 JFADRN CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001294260855 1061763031 /nfs/dbraw/zinc/76/30/31/1061763031.db2.gz PECMMFCACKSPMQ-LJQANCHMSA-N 0 0 476.647 2.737 20 0 JFADRN C[C@@H](C(=O)NC1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001286973864 1061765144 /nfs/dbraw/zinc/76/51/44/1061765144.db2.gz XOIGKQNBFYWEEQ-IBGZPJMESA-N 0 0 482.677 2.654 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1[C@@H]1C[C@H]1CF)S(C)(=O)=O ZINC001286973924 1061765204 /nfs/dbraw/zinc/76/52/04/1061765204.db2.gz YJVOYWQMYVFXNR-KZVDOYCCSA-N 0 0 462.389 2.834 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)cn2C)n1[C@@H]1C[C@H]1CF ZINC001286973926 1061765243 /nfs/dbraw/zinc/76/52/43/1061765243.db2.gz YJVOYWQMYVFXNR-OWTLIXCDSA-N 0 0 462.389 2.834 20 0 JFADRN CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001294269700 1061766348 /nfs/dbraw/zinc/76/63/48/1061766348.db2.gz FZWHXCCUNAKSCQ-KRWDZBQOSA-N 0 0 450.609 2.669 20 0 JFADRN CC(C)(C)C[C@H](O)CC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC001290047021 1061766666 /nfs/dbraw/zinc/76/66/66/1061766666.db2.gz VAJLQTWQLDJKHB-GFCCVEGCSA-N 0 0 453.424 2.531 20 0 JFADRN CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC001294271241 1061767135 /nfs/dbraw/zinc/76/71/35/1061767135.db2.gz FZMQFJUTKIRVSC-HSZRJFAPSA-N 0 0 451.567 2.941 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)CC(=O)NC(C)C)n2C[C@H]2CCCN2c2cnn(C)c2)c1 ZINC001290047419 1061767254 /nfs/dbraw/zinc/76/72/54/1061767254.db2.gz RLEFBKOANGPXEQ-HXUWFJFHSA-N 0 0 480.617 2.529 20 0 JFADRN CCCCn1c(-c2nn(CCC)c(=O)c3ccccc32)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001294272665 1061767739 /nfs/dbraw/zinc/76/77/39/1061767739.db2.gz RVGCDQDGJKQONY-QGZVFWFLSA-N 0 0 472.615 2.879 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2CCCN2CCCCC2=O)c1 ZINC001290048090 1061768303 /nfs/dbraw/zinc/76/83/03/1061768303.db2.gz LLIDSZGVCJDHMW-UHFFFAOYSA-N 0 0 451.575 2.938 20 0 JFADRN CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001294278392 1061769357 /nfs/dbraw/zinc/76/93/57/1061769357.db2.gz HFDWIDHTJFRBSR-SFHVURJKSA-N 0 0 484.667 2.664 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)CCC(F)F)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC001290052342 1061769690 /nfs/dbraw/zinc/76/96/90/1061769690.db2.gz GPVPNLWGCHJXDM-INIZCTEOSA-N 0 0 457.547 2.538 20 0 JFADRN CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccc(Cl)cc1 ZINC001294279815 1061771060 /nfs/dbraw/zinc/77/10/60/1061771060.db2.gz GVSZKTWLWBVRMH-GOSISDBHSA-N 0 0 472.011 2.580 20 0 JFADRN CCCCn1c(Cc2ccncc2)nnc1N1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C1 ZINC001294280217 1061771132 /nfs/dbraw/zinc/77/11/32/1061771132.db2.gz FVWJEMKLKIDAKA-RTBURBONSA-N 0 0 472.590 2.814 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1OCCC1(C)C ZINC001286974876 1061771723 /nfs/dbraw/zinc/77/17/23/1061771723.db2.gz AJCXUCZXPCDRDV-JXXFODFXSA-N 0 0 478.615 2.789 20 0 JFADRN Cc1cccc(OCc2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CCN2CCCS2(=O)=O)c1 ZINC001290053606 1061771698 /nfs/dbraw/zinc/77/16/98/1061771698.db2.gz DBMXAUQJCDYPII-QZTJIDSGSA-N 0 0 465.645 2.531 20 0 JFADRN CC(C)C1(Cn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)CC1 ZINC001286974950 1061772182 /nfs/dbraw/zinc/77/21/82/1061772182.db2.gz BEWVMUSPXPQJHE-SJORKVTESA-N 0 0 472.619 2.615 20 0 JFADRN CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001294280796 1061772366 /nfs/dbraw/zinc/77/23/66/1061772366.db2.gz NHPBHNIUEGXIPC-HRCADAONSA-N 0 0 451.524 2.501 20 0 JFADRN Cc1cccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2Cc2ccc(C(N)=O)nc2)c1 ZINC001290053876 1061772692 /nfs/dbraw/zinc/77/26/92/1061772692.db2.gz GVHPTXIDOKPIEU-HNAYVOBHSA-N 0 0 490.486 2.864 20 0 JFADRN CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001294281561 1061772752 /nfs/dbraw/zinc/77/27/52/1061772752.db2.gz OOUOBPRYLVYTMM-NHCUHLMSSA-N 0 0 453.635 2.691 20 0 JFADRN CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001294281562 1061772893 /nfs/dbraw/zinc/77/28/93/1061772893.db2.gz OOUOBPRYLVYTMM-OYRHEFFESA-N 0 0 453.635 2.691 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccccc1Cn1cccn1 ZINC001286975168 1061774373 /nfs/dbraw/zinc/77/43/73/1061774373.db2.gz BUVBLVJLKJWAMD-DBXWQHBBSA-N 0 0 472.615 2.681 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccccc1Cn1cccn1 ZINC001286975169 1061774417 /nfs/dbraw/zinc/77/44/17/1061774417.db2.gz BUVBLVJLKJWAMD-LVCYWYKZSA-N 0 0 472.615 2.681 20 0 JFADRN Cc1cccc(OCc2nnc(N3C[C@@H](C)[C@@H](N4CCOCC4)C3)n2CCN(C)CC(F)(F)F)c1 ZINC001290054899 1061774684 /nfs/dbraw/zinc/77/46/84/1061774684.db2.gz LZCBYNZQSNVDHN-CTNGQTDRSA-N 0 0 496.578 2.817 20 0 JFADRN C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1cccc(O)c1 ZINC001290054769 1061774904 /nfs/dbraw/zinc/77/49/04/1061774904.db2.gz ZJTHSKSKWALVTF-CQSZACIVSA-N 0 0 453.358 2.791 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCOC2)n1CCCN(C)c1ccccc1F ZINC001286975340 1061775876 /nfs/dbraw/zinc/77/58/76/1061775876.db2.gz LUTLFOQWXOXJHW-SQNIBIBYSA-N 0 0 467.611 2.705 20 0 JFADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@@H]3c4c[nH]nc4CN3C(=O)OC(C)(C)C)C2)c1 ZINC001294290114 1061775979 /nfs/dbraw/zinc/77/59/79/1061775979.db2.gz DGCBALGBLCAESO-VLIAUNLRSA-N 0 0 457.531 2.614 20 0 JFADRN CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001294289679 1061775999 /nfs/dbraw/zinc/77/59/99/1061775999.db2.gz NRCGTVWKZADNEB-KRWDZBQOSA-N 0 0 451.593 2.526 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001286975356 1061776371 /nfs/dbraw/zinc/77/63/71/1061776371.db2.gz DFYMOLIDCREKCW-WWMYMODYSA-N 0 0 489.642 2.654 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CC12CCOCC2 ZINC001286975377 1061776397 /nfs/dbraw/zinc/77/63/97/1061776397.db2.gz DHMODLSMOCOTPB-AABGKKOBSA-N 0 0 476.643 2.974 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CC12CCOCC2 ZINC001286975379 1061776417 /nfs/dbraw/zinc/77/64/17/1061776417.db2.gz DHMODLSMOCOTPB-AQNXPRMDSA-N 0 0 476.643 2.974 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccccn2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001286975353 1061776549 /nfs/dbraw/zinc/77/65/49/1061776549.db2.gz LVLBRKAMBYYSNH-FGSXEWAUSA-N 0 0 488.633 2.964 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C[C@]2(O)CCOC2)c1 ZINC001290057939 1061777107 /nfs/dbraw/zinc/77/71/07/1061777107.db2.gz AOMQZBGYVPCXOB-FQRUVTKNSA-N 0 0 485.629 2.694 20 0 JFADRN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H]3c4cccc(F)c4CC[C@@H]3C)CC2)cc1 ZINC001294292316 1061777388 /nfs/dbraw/zinc/77/73/88/1061777388.db2.gz NZEGFTOUUOXJKK-UUOWRZLLSA-N 0 0 459.587 2.880 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccccc2F)n1C[C@](C)(O)c1ccco1 ZINC001286975419 1061777439 /nfs/dbraw/zinc/77/74/39/1061777439.db2.gz DWKXAISLTPMDPE-MCFFVMPBSA-N 0 0 480.562 2.755 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2C[C@]2(O)CCOC2)c1 ZINC001290057942 1061777712 /nfs/dbraw/zinc/77/77/12/1061777712.db2.gz AOMQZBGYVPCXOB-RXFWQSSRSA-N 0 0 485.629 2.694 20 0 JFADRN Cc1cc(NC(=O)CSCC(=O)N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)no1 ZINC001294293035 1061777872 /nfs/dbraw/zinc/77/78/72/1061777872.db2.gz DIZYMXGYWKWDPY-ZDUSSCGKSA-N 0 0 456.446 2.595 20 0 JFADRN CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)C1 ZINC001294292145 1061777936 /nfs/dbraw/zinc/77/79/36/1061777936.db2.gz HGBKSOMVVMEYNJ-XDHUDOTRSA-N 0 0 459.543 2.510 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CCN1CCc2sccc2C1 ZINC001286975775 1061778505 /nfs/dbraw/zinc/77/85/05/1061778505.db2.gz MQNHTPVDZKUCRT-QZTJIDSGSA-N 0 0 488.683 2.642 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(COc2ccccc2F)n1CCc1ccncc1)S(C)(=O)=O ZINC001286975810 1061778542 /nfs/dbraw/zinc/77/85/42/1061778542.db2.gz HCQIFTHMKLSNHV-DLBZAZTESA-N 0 0 461.563 2.892 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2C[C@@](C)(O)C2CC2)c1 ZINC001290058874 1061778812 /nfs/dbraw/zinc/77/88/12/1061778812.db2.gz HJTJJUZWRJCCHZ-OPAMFIHVSA-N 0 0 481.519 2.831 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(-c2ccccn2)n1Cc1cccc(N2CCCC2=O)c1)S(C)(=O)=O ZINC001286975881 1061778993 /nfs/dbraw/zinc/77/89/93/1061778993.db2.gz DBYXLQYNEGRFOV-ZWKOTPCHSA-N 0 0 482.610 2.773 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1Cc1cccc(N2CCCC2=O)c1 ZINC001286975880 1061779025 /nfs/dbraw/zinc/77/90/25/1061779025.db2.gz DBYXLQYNEGRFOV-ROUUACIJSA-N 0 0 482.610 2.773 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccc(F)cc2)n1CCN(C)CC(F)(F)F ZINC001286975841 1061779091 /nfs/dbraw/zinc/77/90/91/1061779091.db2.gz MTWMZFDOSXHYTI-GJZGRUSLSA-N 0 0 479.544 2.760 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CC(=O)N(C)C)c1 ZINC001290059561 1061779283 /nfs/dbraw/zinc/77/92/83/1061779283.db2.gz LGFAAFUQLFFMEY-MOPGFXCFSA-N 0 0 486.617 2.993 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2F)n1CC1(C(=O)N(C)C)CCCC1 ZINC001286975925 1061779607 /nfs/dbraw/zinc/77/96/07/1061779607.db2.gz DRINJGLBPUVDGQ-IAGOWNOFSA-N 0 0 479.622 2.991 20 0 JFADRN CCCCn1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)c(C)n1 ZINC001294295170 1061780179 /nfs/dbraw/zinc/78/01/79/1061780179.db2.gz JLBXPBLVCYSGOZ-GOSISDBHSA-N 0 0 478.022 2.970 20 0 JFADRN CCCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(Cc3csc(C)n3)CC2)c(C)n1 ZINC001294295285 1061780203 /nfs/dbraw/zinc/78/02/03/1061780203.db2.gz HRWAHOXPVIJMJT-UHFFFAOYSA-N 0 0 499.689 2.857 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccc2c(c1)OC(C)(C)O2)S(C)(=O)=O ZINC001286976089 1061780588 /nfs/dbraw/zinc/78/05/88/1061780588.db2.gz HVZATHGVYFXJQW-HDMKZQKVSA-N 0 0 464.588 2.943 20 0 JFADRN CCCCn1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)c(C)n1 ZINC001294295528 1061780694 /nfs/dbraw/zinc/78/06/94/1061780694.db2.gz LNFXMRJXHJDXGD-VGSWGCGISA-N 0 0 486.642 2.909 20 0 JFADRN CCCCn1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)c(C)n1 ZINC001294296144 1061782262 /nfs/dbraw/zinc/78/22/62/1061782262.db2.gz NLAUTXWJJXYUCO-UHFFFAOYSA-N 0 0 484.649 2.562 20 0 JFADRN CCCCn1cc(Cn2c(C(C)C)nnc2N2CCC(NS(=O)(=O)CC)CC2)c(C)n1 ZINC001294296498 1061783364 /nfs/dbraw/zinc/78/33/64/1061783364.db2.gz PSJMLVRFJPYXGS-UHFFFAOYSA-N 0 0 451.641 2.663 20 0 JFADRN CCCCn1c(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294296404 1061783388 /nfs/dbraw/zinc/78/33/88/1061783388.db2.gz KJMNNKHQGPWEBL-REWPJTCUSA-N 0 0 483.679 2.950 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CC[C@H]2CCO[C@@H](C)C2)c1 ZINC001290062436 1061783466 /nfs/dbraw/zinc/78/34/66/1061783466.db2.gz IBKPUSAWVMXHQY-PMACEKPBSA-N 0 0 491.658 2.889 20 0 JFADRN CCCCn1c(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294296591 1061783823 /nfs/dbraw/zinc/78/38/23/1061783823.db2.gz MZKLDTAWINHURO-NLFFAJNJSA-N 0 0 476.666 2.688 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC4(CNC(=O)C4)CC3)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001290062449 1061783868 /nfs/dbraw/zinc/78/38/68/1061783868.db2.gz IKNIIJDHZJIXMQ-MGBGTMOVSA-N 0 0 473.643 2.819 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCCc2nccs2)c1 ZINC001290062501 1061784416 /nfs/dbraw/zinc/78/44/16/1061784416.db2.gz JRWGYERMOBMLSE-GOSISDBHSA-N 0 0 461.613 2.878 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCSC2)CC1 ZINC001286976502 1061784553 /nfs/dbraw/zinc/78/45/53/1061784553.db2.gz FXJFXRSCSPGLTQ-OAQYLSRUSA-N 0 0 465.023 2.556 20 0 JFADRN CCCCn1cc(Cn2c([C@H]3COc4ccccc4O3)nnc2N(C)C[C@H](C)C(=O)NC)c(C)n1 ZINC001294297803 1061786101 /nfs/dbraw/zinc/78/61/01/1061786101.db2.gz HTJUELJOGMLNPZ-HTAPYJJXSA-N 0 0 481.601 2.962 20 0 JFADRN CCOC(=O)c1ccc(CNC(=O)c2sccc2S(=O)(=O)NCc2cccs2)o1 ZINC001294297709 1061786240 /nfs/dbraw/zinc/78/62/40/1061786240.db2.gz AAUOBAZJWXSYAV-UHFFFAOYSA-N 0 0 454.551 2.988 20 0 JFADRN CCCCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CCCO)CC2)c(C)n1 ZINC001294297878 1061786692 /nfs/dbraw/zinc/78/66/92/1061786692.db2.gz IPWPLZHQEFXWFW-HXUWFJFHSA-N 0 0 478.663 2.522 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(NC(N)=O)cc1 ZINC001286976917 1061787941 /nfs/dbraw/zinc/78/79/41/1061787941.db2.gz PYXNQCKGQKSHOX-HUUCEWRRSA-N 0 0 476.628 2.727 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1nccn1C(F)F ZINC001286976987 1061788438 /nfs/dbraw/zinc/78/84/38/1061788438.db2.gz QEZONMAILALUFY-JKIFEVAISA-N 0 0 496.540 2.688 20 0 JFADRN CCCCn1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)c(C)n1 ZINC001294300149 1061788816 /nfs/dbraw/zinc/78/88/16/1061788816.db2.gz XDBULWUUCYWVPU-PZJWPPBQSA-N 0 0 484.649 2.571 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2Cc2ccc(N(C)C)nc2)c1 ZINC001290064507 1061789003 /nfs/dbraw/zinc/78/90/03/1061789003.db2.gz TTZSBJBORMIYOL-UHFFFAOYSA-N 0 0 463.586 2.767 20 0 JFADRN CCCCn1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H](CC)C2)c(C)n1 ZINC001294300137 1061788921 /nfs/dbraw/zinc/78/89/21/1061788921.db2.gz WYIALWZDRWQXNB-TZIWHRDSSA-N 0 0 493.678 2.591 20 0 JFADRN Cc1cnn([C@H]2CCCN(c3nnc(COc4cccc(C)c4)n3CCCS(C)(=O)=O)C2)c1 ZINC001290064806 1061789513 /nfs/dbraw/zinc/78/95/13/1061789513.db2.gz DQKAYWIFQQTTPL-FQEVSTJZSA-N 0 0 472.615 2.947 20 0 JFADRN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3C[C@H](CC)N(C(C)=O)C[C@@H]3CC)cc(C3CC3)nc21 ZINC001294302346 1061789790 /nfs/dbraw/zinc/78/97/90/1061789790.db2.gz RZPLVIAKJPAPNX-IRXDYDNUSA-N 0 0 455.559 2.646 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CCCc2cnn(C)c2)c1 ZINC001290065334 1061789821 /nfs/dbraw/zinc/78/98/21/1061789821.db2.gz HBIFPTHYCRSBFH-NRFANRHFSA-N 0 0 472.615 2.545 20 0 JFADRN CCCCn1cc(Cn2c(Cc3ccccc3C)nnc2N2CCN(CC(=O)N(C)C)CC2)c(C)n1 ZINC001294303495 1061790246 /nfs/dbraw/zinc/79/02/46/1061790246.db2.gz AHLHNNDXSOIBRJ-UHFFFAOYSA-N 0 0 492.672 2.741 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(N(C)C)nc2)c1 ZINC001290066340 1061790399 /nfs/dbraw/zinc/79/03/99/1061790399.db2.gz LFVLMYBPTDCMDV-NRFANRHFSA-N 0 0 484.626 2.688 20 0 JFADRN CCCCn1cc(Cn2c(Cc3ccncc3)nnc2N2CCN(C(C)=O)C[C@H]2C)c(C)n1 ZINC001294303890 1061791238 /nfs/dbraw/zinc/79/12/38/1061791238.db2.gz HZGLZRGBTBZKFC-GOSISDBHSA-N 0 0 450.591 2.674 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC(=O)N2)CC1 ZINC001286977621 1061791395 /nfs/dbraw/zinc/79/13/95/1061791395.db2.gz NSXSBMFWOOXUCB-OAHLLOKOSA-N 0 0 489.418 2.681 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CCCOC1CCCC1 ZINC001286977594 1061791596 /nfs/dbraw/zinc/79/15/96/1061791596.db2.gz FXWHCDIFICGQPJ-HOTGVXAUSA-N 0 0 481.619 2.613 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1Cc1cccc(N2CCOCC2)n1 ZINC001286977640 1061791910 /nfs/dbraw/zinc/79/19/10/1061791910.db2.gz NRADXOFDISAEIF-RTBURBONSA-N 0 0 490.674 2.549 20 0 JFADRN CCCCn1cc(Cn2c(Cc3ccsc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)c(C)n1 ZINC001294305527 1061792698 /nfs/dbraw/zinc/79/26/98/1061792698.db2.gz XQJSJJNBQKIRFV-IBGZPJMESA-N 0 0 462.645 2.907 20 0 JFADRN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C2(c3ccccc3)CCN(S(=O)(=O)CC)CC2)C1 ZINC001294305976 1061793513 /nfs/dbraw/zinc/79/35/13/1061793513.db2.gz UPFZWHSPJUOMEG-LNIFMVABSA-N 0 0 454.658 2.566 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CCN2CCC(C)CC2)c1 ZINC001290069386 1061793641 /nfs/dbraw/zinc/79/36/41/1061793641.db2.gz HQZQSTJLWVWAQE-QFIPXVFZSA-N 0 0 475.659 2.911 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001286977800 1061793677 /nfs/dbraw/zinc/79/36/77/1061793677.db2.gz SPNGKGYDRGXXOZ-IGGJEDBVSA-N 0 0 481.638 2.872 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CC[C@@](C)(O)c1ccccc1 ZINC001286977932 1061794708 /nfs/dbraw/zinc/79/47/08/1061794708.db2.gz TWSKRFCADNHGPY-YDIMBITNSA-N 0 0 471.627 2.820 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H]2CC(F)(F)CO2)c1 ZINC001290069648 1061794940 /nfs/dbraw/zinc/79/49/40/1061794940.db2.gz OVCLKSDOWURPKX-RBUKOAKNSA-N 0 0 484.569 2.993 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(c4cccnn4)CC3)n2C[C@@](C)(O)C(C)C)c1 ZINC001290070262 1061795214 /nfs/dbraw/zinc/79/52/14/1061795214.db2.gz AEQRZJIMLPXVCA-XMMPIXPASA-N 0 0 451.575 2.689 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001286978267 1061796993 /nfs/dbraw/zinc/79/69/93/1061796993.db2.gz PXVVMNFEDJJVAM-FXUDXRNXSA-N 0 0 479.569 2.952 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 ZINC001286978309 1061797456 /nfs/dbraw/zinc/79/74/56/1061797456.db2.gz QBGQHBLQZJZHAH-RYRKJORJSA-N 0 0 495.650 2.574 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1CCNC(=O)OC(C)(C)C ZINC001286978291 1061797595 /nfs/dbraw/zinc/79/75/95/1061797595.db2.gz QBGFXQPMVXRXFT-QZTJIDSGSA-N 0 0 479.647 2.846 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001286978314 1061797941 /nfs/dbraw/zinc/79/79/41/1061797941.db2.gz UHXXNWMQVVOOLM-JKSUJKDBSA-N 0 0 452.550 2.749 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccnc2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001286978385 1061798082 /nfs/dbraw/zinc/79/80/82/1061798082.db2.gz JKMDLWONLMPVTC-GJZGRUSLSA-N 0 0 498.531 2.982 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)c1cccc(F)c1 ZINC001286978446 1061798468 /nfs/dbraw/zinc/79/84/68/1061798468.db2.gz GZJPHMVRZMIUDC-IIDMSEBBSA-N 0 0 465.595 2.604 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)c1cccc(F)c1 ZINC001286978448 1061798854 /nfs/dbraw/zinc/79/88/54/1061798854.db2.gz GZJPHMVRZMIUDC-RKVPGOIHSA-N 0 0 465.595 2.604 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1C[C@](C)(O)c1ccco1 ZINC001286978494 1061798911 /nfs/dbraw/zinc/79/89/11/1061798911.db2.gz VMRYEDLPVJPMSO-SIFCLUCFSA-N 0 0 452.602 2.689 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1C[C@@](C)(O)c1ccco1 ZINC001286978497 1061798964 /nfs/dbraw/zinc/79/89/64/1061798964.db2.gz 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495.447 2.742 20 0 JFADRN Cc1cccc(OCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)c1 ZINC001290080829 1061811423 /nfs/dbraw/zinc/81/14/23/1061811423.db2.gz PJKYCHHOBKVNNC-NRFANRHFSA-N 0 0 468.602 2.700 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001286980197 1061811466 /nfs/dbraw/zinc/81/14/66/1061811466.db2.gz YPXXIKBDZJGCMA-WCIQWLHISA-N 0 0 464.632 2.709 20 0 JFADRN Cc1cccc2[nH]cc(CCn3c([C@@H]4CCC(=O)N4)nnc3N(C)CC(=O)NC(C)(C)C)c21 ZINC001290083848 1061812082 /nfs/dbraw/zinc/81/20/82/1061812082.db2.gz DJSLOQYZRXSLKH-SFHVURJKSA-N 0 0 451.575 2.613 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCN1CC=CCC1 ZINC001286980328 1061812166 /nfs/dbraw/zinc/81/21/66/1061812166.db2.gz MZKCOKCJFVTXNE-HZPDHXFCSA-N 0 0 453.012 2.513 20 0 JFADRN CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC2CCOCC2)C1 ZINC001294316936 1061812312 /nfs/dbraw/zinc/81/23/12/1061812312.db2.gz IYCMRPNRGIDCPI-AZUAARDMSA-N 0 0 483.617 2.873 20 0 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ZINC001290443989 1062216497 /nfs/dbraw/zinc/21/64/97/1062216497.db2.gz BDPFCFRZIQRHMJ-LJQANCHMSA-N 0 0 457.596 2.913 20 0 JFADRN COC(=O)C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1)C1CC1 ZINC001294663713 1062216651 /nfs/dbraw/zinc/21/66/51/1062216651.db2.gz DQESJAIQKXZPOF-WMLDXEAASA-N 0 0 455.324 2.898 20 0 JFADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@]2(O)CCCC2(C)C)C1 ZINC001287074017 1062216730 /nfs/dbraw/zinc/21/67/30/1062216730.db2.gz AGBKRADYJSWDOW-USAPXKEJSA-N 0 0 490.649 2.692 20 0 JFADRN CN1C[C@@H](C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)N(C(=O)OC(C)(C)C)CC1=O ZINC001290445365 1062217165 /nfs/dbraw/zinc/21/71/65/1062217165.db2.gz NCEUCAPZCOECDH-INIZCTEOSA-N 0 0 459.572 2.913 20 0 JFADRN Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(C)nc(-c4ccc(Cl)cc4)n3)CC2)no1 ZINC001290445797 1062217186 /nfs/dbraw/zinc/21/71/86/1062217186.db2.gz SEAWYTAITOSSAM-UHFFFAOYSA-N 0 0 454.918 2.798 20 0 JFADRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCCOCC(F)F)C1 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454.590 2.697 20 0 JFADRN CC(C)(C)OC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCOCCS(C)(=O)=O)CC1 ZINC001287078303 1062229562 /nfs/dbraw/zinc/22/95/62/1062229562.db2.gz FWIWLGQDIDCLAH-UHFFFAOYSA-N 0 0 494.614 2.519 20 0 JFADRN COc1ccc(CCC2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)cc1 ZINC001290452114 1062229743 /nfs/dbraw/zinc/22/97/43/1062229743.db2.gz KZCOURKYMCZUDH-DEOSSOPVSA-N 0 0 457.615 2.580 20 0 JFADRN CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 ZINC001290452695 1062229949 /nfs/dbraw/zinc/22/99/49/1062229949.db2.gz NVTGGPZWMOREAY-QGZVFWFLSA-N 0 0 453.465 2.643 20 0 JFADRN Cc1nc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cs1 ZINC001290453296 1062230668 /nfs/dbraw/zinc/23/06/68/1062230668.db2.gz BIWATLPDVFPLLI-DLBZAZTESA-N 0 0 475.619 2.682 20 0 JFADRN CC(C)(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC001287079135 1062230664 /nfs/dbraw/zinc/23/06/64/1062230664.db2.gz DCFQAYQISAMTLM-HXUWFJFHSA-N 0 0 482.629 2.976 20 0 JFADRN CC(C)(C)OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2ccccc2)C1 ZINC001287079355 1062231107 /nfs/dbraw/zinc/23/11/07/1062231107.db2.gz KRZVXZFSPHQPJY-JPYJTQIMSA-N 0 0 462.616 2.747 20 0 JFADRN Cc1nc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cs1 ZINC001290454368 1062231204 /nfs/dbraw/zinc/23/12/04/1062231204.db2.gz OOOOXGUZUFLYAH-RRQGHBQHSA-N 0 0 475.619 2.586 20 0 JFADRN Cc1nc(CCn2c(C3CC3)nnc2N(CCO)Cc2ccc(F)c(Br)c2)n[nH]1 ZINC001290454486 1062231996 /nfs/dbraw/zinc/23/19/96/1062231996.db2.gz PYIKIXQUUBAKGP-UHFFFAOYSA-N 0 0 464.343 2.725 20 0 JFADRN Cc1nc(CCn2c(-c3cccn3C)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)cs1 ZINC001290454790 1062232591 /nfs/dbraw/zinc/23/25/91/1062232591.db2.gz UBSRQGJHOZCHMS-CQSZACIVSA-N 0 0 467.521 2.796 20 0 JFADRN Cc1nc(CCn2c(-c3cnn(C)c3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)cs1 ZINC001290455250 1062233141 /nfs/dbraw/zinc/23/31/41/1062233141.db2.gz VSZPPQWJRAVUMA-ZDUSSCGKSA-N 0 0 454.526 2.759 20 0 JFADRN CC(C)(C)OC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CCOC2)CC1 ZINC001287080244 1062233209 /nfs/dbraw/zinc/23/32/09/1062233209.db2.gz PYJIWVKXDFRALY-DEOSSOPVSA-N 0 0 492.020 2.797 20 0 JFADRN CC(C)(C)OCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001287080479 1062234173 /nfs/dbraw/zinc/23/41/73/1062234173.db2.gz UUHMRUFIEKIIPU-IRXDYDNUSA-N 0 0 464.611 2.519 20 0 JFADRN CC(C)(C)OCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001287080480 1062234271 /nfs/dbraw/zinc/23/42/71/1062234271.db2.gz UUHMRUFIEKIIPU-SJORKVTESA-N 0 0 464.611 2.519 20 0 JFADRN Cc1nc(CCn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCNS(C)(=O)=O)cs1 ZINC001290455728 1062234474 /nfs/dbraw/zinc/23/44/74/1062234474.db2.gz RMUYRWRKFIXFMF-UHFFFAOYSA-N 0 0 472.999 2.731 20 0 JFADRN Cc1nc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)c2ccccc2)cs1 ZINC001290456128 1062235557 /nfs/dbraw/zinc/23/55/57/1062235557.db2.gz JQTBCZZPPCIYJS-OXQOHEQNSA-N 0 0 490.655 2.816 20 0 JFADRN 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CCCNC(=O)[C@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC001294780142 1062382768 /nfs/dbraw/zinc/38/27/68/1062382768.db2.gz IQTLJDUMWCQGBT-SFHVURJKSA-N 0 0 461.632 2.770 20 0 JFADRN CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(CO)c2)C1 ZINC001287124742 1062383391 /nfs/dbraw/zinc/38/33/91/1062383391.db2.gz JJEWBWBKKZOYKN-VXKWHMMOSA-N 0 0 455.603 2.701 20 0 JFADRN Cc1cc(C)n(-c2ccccc2Cn2c(-c3cnccn3)nnc2N(C)CC(=O)NC(C)C)n1 ZINC001290578448 1062385108 /nfs/dbraw/zinc/38/51/08/1062385108.db2.gz PQJTZAMRNIVMFN-UHFFFAOYSA-N 0 0 459.558 2.547 20 0 JFADRN CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)cc2)CC1 ZINC001287125078 1062385314 /nfs/dbraw/zinc/38/53/14/1062385314.db2.gz ZXDAUIILRMSQSV-KRWDZBQOSA-N 0 0 480.034 2.623 20 0 JFADRN Cc1cc(C)n(-c2ccccc2Cn2c([C@H]3CCOC3)nnc2N(C)CCCS(C)(=O)=O)n1 ZINC001290579029 1062385603 /nfs/dbraw/zinc/38/56/03/1062385603.db2.gz UEPAXYVMCKYSAE-FQEVSTJZSA-N 0 0 472.615 2.504 20 0 JFADRN CCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(C)cc2)C1 ZINC001294781168 1062386134 /nfs/dbraw/zinc/38/61/34/1062386134.db2.gz RJENIXYCWGUGDN-OAQYLSRUSA-N 0 0 452.603 2.808 20 0 JFADRN CCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccco2)N2CCCCC2)C1 ZINC001294781157 1062386213 /nfs/dbraw/zinc/38/62/13/1062386213.db2.gz REBNKBJBOVPWOQ-RTWAWAEBSA-N 0 0 499.660 2.979 20 0 JFADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4ccc(C)o4)n3CCS(=O)(=O)NC(C)C)C2)n1 ZINC001290581134 1062386281 /nfs/dbraw/zinc/38/62/81/1062386281.db2.gz DPQKUFAWWYPHEK-LJQANCHMSA-N 0 0 475.619 2.829 20 0 JFADRN CC(C)C(=O)NCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001287125678 1062388019 /nfs/dbraw/zinc/38/80/19/1062388019.db2.gz FPZRMVLVJOKDCY-JOCHJYFZSA-N 0 0 492.418 2.866 20 0 JFADRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)COc1ccc(F)cc1 ZINC001294782061 1062388206 /nfs/dbraw/zinc/38/82/06/1062388206.db2.gz GICLQTLPQBCION-QFBILLFUSA-N 0 0 450.894 2.648 20 0 JFADRN CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(Cl)c2C)C1 ZINC001294782516 1062388998 /nfs/dbraw/zinc/38/89/98/1062388998.db2.gz BKDIGLUZDBVTKY-FUHWJXTLSA-N 0 0 497.065 2.641 20 0 JFADRN CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(F)c2)C1 ZINC001294782507 1062389136 /nfs/dbraw/zinc/38/91/36/1062389136.db2.gz BGUHLLBAUHATJQ-NTKDMRAZSA-N 0 0 459.566 2.860 20 0 JFADRN CC(C)C(=O)NCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001287125738 1062389106 /nfs/dbraw/zinc/38/91/06/1062389106.db2.gz HSWOOOPFLLDWOZ-DLBZAZTESA-N 0 0 477.009 2.901 20 0 JFADRN C[C@@H]1CN(c2ccnc(C(=O)NC[C@H](O)COc3cccc(C(F)(F)F)c3)c2)C[C@@H](C)O1 ZINC001294783976 1062390041 /nfs/dbraw/zinc/39/00/41/1062390041.db2.gz UQZBRRNMHGSHIA-RKVPGOIHSA-N 0 0 453.461 2.884 20 0 JFADRN C[C@@H]1CN(c2ccnc(C(=O)NC[C@@H](O)COc3cccc(C(F)(F)F)c3)c2)C[C@H](C)O1 ZINC001294783977 1062390128 /nfs/dbraw/zinc/39/01/28/1062390128.db2.gz UQZBRRNMHGSHIA-RVKKMQEKSA-N 0 0 453.461 2.884 20 0 JFADRN CC(C)C(=O)NCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001287125983 1062390280 /nfs/dbraw/zinc/39/02/80/1062390280.db2.gz KSWWNJUVSBAAQJ-XDHUDOTRSA-N 0 0 489.020 2.950 20 0 JFADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc(C4CCCC4)n3CCS(=O)(=O)NC(C)C)C2)n1 ZINC001290583054 1062390654 /nfs/dbraw/zinc/39/06/54/1062390654.db2.gz DCVCOLHHVPNYDC-HXUWFJFHSA-N 0 0 463.652 2.918 20 0 JFADRN CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001287126063 1062390785 /nfs/dbraw/zinc/39/07/85/1062390785.db2.gz SHOOAWMSHUKOSG-WOJBJXKFSA-N 0 0 493.699 2.744 20 0 JFADRN Cc1nc(C)n([C@H]2CCCN(c3nnc([C@H]4CCC(=O)N4)n3CC(C)(C)C(F)(F)F)C2)n1 ZINC001290583270 1062390958 /nfs/dbraw/zinc/39/09/58/1062390958.db2.gz GDXSLMGUAUZLNN-LSDHHAIUSA-N 0 0 454.501 2.868 20 0 JFADRN CC(C)C(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001287126165 1062391114 /nfs/dbraw/zinc/39/11/14/1062391114.db2.gz AROKYPAOZVEYMY-HNAYVOBHSA-N 0 0 454.406 2.861 20 0 JFADRN 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/nfs/dbraw/zinc/94/94/00/1062949400.db2.gz MPOZPNMDPCTTSZ-CEXWTWQISA-N 0 0 476.622 2.773 20 0 JFADRN C[C@@H]1C[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C[C@H](C)O1 ZINC001291025867 1062949381 /nfs/dbraw/zinc/94/93/81/1062949381.db2.gz CFLYYGKEOYCUIC-OYSTVDSJSA-N 0 0 476.622 2.878 20 0 JFADRN CC(C)Cc1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001287494840 1062949817 /nfs/dbraw/zinc/94/98/17/1062949817.db2.gz DBLGJFWUHJUYEA-XFSFLGPDSA-N 0 0 456.616 2.505 20 0 JFADRN CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)C1CCCC1 ZINC001295132469 1062949834 /nfs/dbraw/zinc/94/98/34/1062949834.db2.gz NPHJMSUKIUDNGX-SFHVURJKSA-N 0 0 456.566 2.766 20 0 JFADRN CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)C1CCCC1 ZINC001295132468 1062949890 /nfs/dbraw/zinc/94/98/90/1062949890.db2.gz NPHJMSUKIUDNGX-GOSISDBHSA-N 0 0 456.566 2.766 20 0 JFADRN C[C@@H]1C[C@@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCS(=O)CC2)CCO1 ZINC001291026113 1062949936 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/nfs/dbraw/zinc/95/37/92/1062953792.db2.gz AUBFHRCMLZYYGU-IEBWSBKVSA-N 0 0 461.994 2.632 20 0 JFADRN CC(C)Cc1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1C[C@@H](C(C)C)N1CCOCC1 ZINC001287505982 1062954009 /nfs/dbraw/zinc/95/40/09/1062954009.db2.gz PQJVIZJKWXZGEK-RLSLOFABSA-N 0 0 476.666 2.937 20 0 JFADRN Cn1nc(C2CC2)cc1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001295136374 1062953991 /nfs/dbraw/zinc/95/39/91/1062953991.db2.gz KUGXIQLBYGGJGZ-LPHOPBHVSA-N 0 0 459.591 2.665 20 0 JFADRN C[C@@H]1CC(Cn2c(Cc3ccncc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C[C@@H](C)O1 ZINC001291028183 1062954130 /nfs/dbraw/zinc/95/41/30/1062954130.db2.gz ILILUJIOGAWKLF-GPMSIDNRSA-N 0 0 480.535 2.972 20 0 JFADRN CC(C)Cc1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1Cc1cccc(OCC(N)=O)c1 ZINC001287505096 1062954197 /nfs/dbraw/zinc/95/41/97/1062954197.db2.gz JSURJRJSNHLYQG-BGYRXZFFSA-N 0 0 498.628 2.692 20 0 JFADRN C[C@H]1C[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N(C)CCCS(C)(=O)=O)CCO1 ZINC001291028066 1062954238 /nfs/dbraw/zinc/95/42/38/1062954238.db2.gz HATKENVLOVYVMF-JKSUJKDBSA-N 0 0 456.559 2.833 20 0 JFADRN CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1OC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295136400 1062954418 /nfs/dbraw/zinc/95/44/18/1062954418.db2.gz KDCMIINPABBHIT-IBGZPJMESA-N 0 0 498.609 2.774 20 0 JFADRN CCCCc1ccc(N2C[C@H](C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)CC2=O)cc1 ZINC001287506815 1062954501 /nfs/dbraw/zinc/95/45/01/1062954501.db2.gz JDSODFSSOWSVIW-ISKFKSNPSA-N 0 0 450.583 2.794 20 0 JFADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cccc3nc[nH]c32)C1 ZINC001295136785 1062955017 /nfs/dbraw/zinc/95/50/17/1062955017.db2.gz QLCYEPQBMOGWHW-LPHOPBHVSA-N 0 0 455.559 2.931 20 0 JFADRN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)C2(c3ccccn3)CC2)C1 ZINC001295136803 1062955352 /nfs/dbraw/zinc/95/53/52/1062955352.db2.gz QQEFFWVOZKSYOU-RBUKOAKNSA-N 0 0 456.587 2.868 20 0 JFADRN COc1ccccc1CC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001295136989 1062955376 /nfs/dbraw/zinc/95/53/76/1062955376.db2.gz UWTTWAJIXMBYHE-UYAOXDASSA-N 0 0 459.587 2.992 20 0 JFADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)C2(c3ccccn3)CC2)C1 ZINC001295136800 1062955405 /nfs/dbraw/zinc/95/54/05/1062955405.db2.gz QQEFFWVOZKSYOU-OALUTQOASA-N 0 0 456.587 2.868 20 0 JFADRN CC(C)C[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CC3(C2)CCOCC3)C1 ZINC001287511055 1062956424 /nfs/dbraw/zinc/95/64/24/1062956424.db2.gz CARFWZDBBGRGRJ-QZTJIDSGSA-N 0 0 453.653 2.968 20 0 JFADRN CC(C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCOCC3)nc2)C1 ZINC001287511102 1062956525 /nfs/dbraw/zinc/95/65/25/1062956525.db2.gz CPKDZXAOSNOZSE-IBGZPJMESA-N 0 0 455.607 2.569 20 0 JFADRN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCO[C@H](C)C2)CC1 ZINC001291029569 1062956808 /nfs/dbraw/zinc/95/68/08/1062956808.db2.gz AXBRQCWDZKPNOR-AQNXPRMDSA-N 0 0 474.650 2.593 20 0 JFADRN CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 ZINC001295137623 1062956920 /nfs/dbraw/zinc/95/69/20/1062956920.db2.gz ROZYNJYDPQYHTE-WOJBJXKFSA-N 0 0 473.599 2.853 20 0 JFADRN C[C@@H]1C[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001291029637 1062957323 /nfs/dbraw/zinc/95/73/23/1062957323.db2.gz BLWOUIMOPMIRHF-YSTOQKLRSA-N 0 0 490.674 2.630 20 0 JFADRN CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCS(=O)(=O)C1)C(C)C ZINC001295137878 1062957506 /nfs/dbraw/zinc/95/75/06/1062957506.db2.gz DJXZEZZFYVRGII-KRWDZBQOSA-N 0 0 468.023 2.921 20 0 JFADRN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2N2CCOCC2)C1 ZINC001287512413 1062957633 /nfs/dbraw/zinc/95/76/33/1062957633.db2.gz MFDWGXJINWZNKE-PMACEKPBSA-N 0 0 490.674 2.646 20 0 JFADRN C[C@@H]1CC(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCN(C)C(=O)C2)C[C@@H](C)O1 ZINC001291029964 1062957888 /nfs/dbraw/zinc/95/78/88/1062957888.db2.gz GTQCPOLLINXDLY-RWQQGDIJSA-N 0 0 476.622 2.531 20 0 JFADRN CC(C)C[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2N2CCOCC2)C1 ZINC001287512419 1062957991 /nfs/dbraw/zinc/95/79/91/1062957991.db2.gz MFDWGXJINWZNKE-VQTJNVASSA-N 0 0 490.674 2.646 20 0 JFADRN CCN(c1nnc(C(C)(C)C)n1Cc1cc2c(cc1OC(F)F)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC001295139366 1062958218 /nfs/dbraw/zinc/95/82/18/1062958218.db2.gz SAWFHNNRPZGNGB-CQSZACIVSA-N 0 0 486.541 2.967 20 0 JFADRN CC(C)C[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2N2CCOCC2)C1 ZINC001287512424 1062958197 /nfs/dbraw/zinc/95/81/97/1062958197.db2.gz MFDWGXJINWZNKE-WOJBJXKFSA-N 0 0 490.674 2.646 20 0 JFADRN C[C@@H]1C[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CCO1 ZINC001291030014 1062958307 /nfs/dbraw/zinc/95/83/07/1062958307.db2.gz HFCLKXMYHXMMMI-QYZOEREBSA-N 0 0 495.621 2.577 20 0 JFADRN C[C@@H]1C[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CCO1 ZINC001291030011 1062958331 /nfs/dbraw/zinc/95/83/31/1062958331.db2.gz HFCLKXMYHXMMMI-CEXWTWQISA-N 0 0 495.621 2.577 20 0 JFADRN O=C(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cc(C(F)(F)F)c[nH]c1=O ZINC001295140536 1062958773 /nfs/dbraw/zinc/95/87/73/1062958773.db2.gz GONFJPPORZDDKC-UHFFFAOYSA-N 0 0 458.336 2.908 20 0 JFADRN COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC001295140811 1062959391 /nfs/dbraw/zinc/95/93/91/1062959391.db2.gz HOKXOJKSGUCMDS-QGZVFWFLSA-N 0 0 455.255 2.830 20 0 JFADRN CC(C)C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001287524233 1062960087 /nfs/dbraw/zinc/96/00/87/1062960087.db2.gz TYGHEFHXXAKMIC-AVRDEDQJSA-N 0 0 467.035 2.944 20 0 JFADRN CC(C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001287524021 1062960165 /nfs/dbraw/zinc/96/01/65/1062960165.db2.gz PGFWOLACIMHQSB-INIZCTEOSA-N 0 0 465.645 2.719 20 0 JFADRN C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCO[C@H](C)C1 ZINC001291030964 1062960340 /nfs/dbraw/zinc/96/03/40/1062960340.db2.gz VHZZKUQROYLDLU-ZACQAIPSSA-N 0 0 454.568 2.681 20 0 JFADRN C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NC(C)(C)c2ccccc2Br)cc1 ZINC001295142087 1062960448 /nfs/dbraw/zinc/96/04/48/1062960448.db2.gz RWFGDOXNQGEVLU-ZDUSSCGKSA-N 0 0 455.374 2.773 20 0 JFADRN C[C@@H]1C[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001291031462 1062961521 /nfs/dbraw/zinc/96/15/21/1062961521.db2.gz BZIXMXNZTGXRSB-CHWSQXEVSA-N 0 0 456.410 2.716 20 0 JFADRN CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC)C1CCCC1 ZINC001295143715 1062961750 /nfs/dbraw/zinc/96/17/50/1062961750.db2.gz FEZOAEOQZUDHIZ-OAHLLOKOSA-N 0 0 451.593 2.723 20 0 JFADRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N(CCS(C)(=O)=O)C3CC3)ccc2C)c1 ZINC001295143934 1062961966 /nfs/dbraw/zinc/96/19/66/1062961966.db2.gz VOYVCDORPCUSGC-UHFFFAOYSA-N 0 0 450.582 2.753 20 0 JFADRN CC(C)CC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001287526079 1062962803 /nfs/dbraw/zinc/96/28/03/1062962803.db2.gz NXOKBWWTHZYYNT-RUZDIDTESA-N 0 0 485.633 2.807 20 0 JFADRN C[C@@H]1C[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001291032488 1062963467 /nfs/dbraw/zinc/96/34/67/1062963467.db2.gz PISCDNUBKAXJPW-UNEWFSDZSA-N 0 0 473.521 2.619 20 0 JFADRN CC(C)CC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccn2)CC1 ZINC001287526554 1062963708 /nfs/dbraw/zinc/96/37/08/1062963708.db2.gz SUCLGAIBNRCZCK-VWLOTQADSA-N 0 0 478.601 2.834 20 0 JFADRN CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 ZINC001295145213 1062964136 /nfs/dbraw/zinc/96/41/36/1062964136.db2.gz AKJCOZOHJDCSDP-HRCADAONSA-N 0 0 458.531 2.555 20 0 JFADRN CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295145294 1062965109 /nfs/dbraw/zinc/96/51/09/1062965109.db2.gz BBFZBGGLOTVWKX-ICSRJNTNSA-N 0 0 477.606 2.833 20 0 JFADRN C[C@@H]1C[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001291033332 1062964975 /nfs/dbraw/zinc/96/49/75/1062964975.db2.gz APRXQWIPVJYUQR-AKHDSKFASA-N 0 0 481.663 2.920 20 0 JFADRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C)C1 ZINC001287527454 1062965458 /nfs/dbraw/zinc/96/54/58/1062965458.db2.gz ZVXJJTAHHJTCOO-VGOFRKELSA-N 0 0 450.605 2.761 20 0 JFADRN C[C@@H]1C[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001291033903 1062965556 /nfs/dbraw/zinc/96/55/56/1062965556.db2.gz IRHFYSGIDOQKPV-VAMGGRTRSA-N 0 0 492.665 2.790 20 0 JFADRN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2C[C@H]2C)CC1 ZINC001291033601 1062965773 /nfs/dbraw/zinc/96/57/73/1062965773.db2.gz DVIHZCBSVIFZMR-PSBWJHGTSA-N 0 0 481.663 2.966 20 0 JFADRN C[C@@H]1C[C@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001291033900 1062965847 /nfs/dbraw/zinc/96/58/47/1062965847.db2.gz IRHFYSGIDOQKPV-AABGKKOBSA-N 0 0 492.665 2.790 20 0 JFADRN C[C@@H]1C[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001291034367 1062966588 /nfs/dbraw/zinc/96/65/88/1062966588.db2.gz OLFNGSXTVUCOKS-ZBFHGGJFSA-N 0 0 453.559 2.569 20 0 JFADRN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1C[C@H]1C ZINC001291035312 1062966683 /nfs/dbraw/zinc/96/66/83/1062966683.db2.gz AHTJIHNSPCQTAK-BFYDXBDKSA-N 0 0 488.639 2.770 20 0 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CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1N1CCCC1)C(C)C ZINC001295216103 1063030048 /nfs/dbraw/zinc/03/00/48/1063030048.db2.gz HAGDYFHHRXIWSP-OAQYLSRUSA-N 0 0 494.637 2.633 20 0 JFADRN CC(C)CCOCCn1c(-c2cnccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001287663432 1063030369 /nfs/dbraw/zinc/03/03/69/1063030369.db2.gz NEEBBENMBNBVCU-GOSISDBHSA-N 0 0 475.594 2.528 20 0 JFADRN C[C@@H]1CCC[C@@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291077947 1063030845 /nfs/dbraw/zinc/03/08/45/1063030845.db2.gz JGWOVGIVGISXCP-XVTZWQNCSA-N 0 0 485.589 2.580 20 0 JFADRN C[C@@H]1CCC[C@@]1(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(F)(F)C1 ZINC001291078084 1063030921 /nfs/dbraw/zinc/03/09/21/1063030921.db2.gz LFEUXMCNDDUTCK-FOIQADDNSA-N 0 0 469.558 2.592 20 0 JFADRN CC(C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2)CC1 ZINC001287665426 1063031266 /nfs/dbraw/zinc/03/12/66/1063031266.db2.gz QGPTVEMYGLQWHU-HXUWFJFHSA-N 0 0 461.632 2.570 20 0 JFADRN CCN(c1nnc(CC(C)C)n1Cc1ccccc1Cn1cccn1)[C@@H]1CCS(=O)(=O)C1 ZINC001295216307 1063031187 /nfs/dbraw/zinc/03/11/87/1063031187.db2.gz DPOOPXIXPYXBJM-OAQYLSRUSA-N 0 0 456.616 2.783 20 0 JFADRN CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(OC)CC1)C1CCCCC1 ZINC001295216480 1063031524 /nfs/dbraw/zinc/03/15/24/1063031524.db2.gz HXJZJWRMRSCPHH-DQVLVPHSSA-N 0 0 483.679 2.975 20 0 JFADRN C[C@H]1CCC[C@@]1(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291078698 1063033424 /nfs/dbraw/zinc/03/34/24/1063033424.db2.gz SHWFWDNEMNROIQ-ORAYPTAESA-N 0 0 486.436 2.600 20 0 JFADRN C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291078987 1063033545 /nfs/dbraw/zinc/03/35/45/1063033545.db2.gz VWRTZYFPYJZCIL-GYCJOSAFSA-N 0 0 457.575 2.618 20 0 JFADRN CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)c1cc(-c2cnc3[nH]ccc3c2)ccn1 ZINC001287668760 1063033603 /nfs/dbraw/zinc/03/36/03/1063033603.db2.gz JTQNUPVFZLPJDR-UHFFFAOYSA-N 0 0 459.462 2.740 20 0 JFADRN C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCOC(C)(C)C ZINC001291079157 1063034038 /nfs/dbraw/zinc/03/40/38/1063034038.db2.gz YCSWHIYVGAXUBP-HXOBKFHXSA-N 0 0 454.579 2.723 20 0 JFADRN CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC001295217609 1063034026 /nfs/dbraw/zinc/03/40/26/1063034026.db2.gz MEOBTROJXZQYJF-QZTJIDSGSA-N 0 0 450.630 2.760 20 0 JFADRN CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Sc1ccccc1)C1CC1 ZINC001295217813 1063034608 /nfs/dbraw/zinc/03/46/08/1063034608.db2.gz NSFTYXABHVOAMY-QFBILLFUSA-N 0 0 465.645 2.781 20 0 JFADRN C[C@@H]1CCC[C@@]1(O)Cn1c([C@H]2CCOC2)nnc1N(C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC001291079475 1063034910 /nfs/dbraw/zinc/03/49/10/1063034910.db2.gz BZHMWEWLIDNCKG-YDIMBITNSA-N 0 0 492.642 2.642 20 0 JFADRN CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1CC1 ZINC001295218248 1063034998 /nfs/dbraw/zinc/03/49/98/1063034998.db2.gz MYQQORACRZPNNZ-DOTOQJQBSA-N 0 0 455.625 2.718 20 0 JFADRN C[C@H]1CCC[C@@]1(O)Cn1c(Cc2ccccc2F)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001291080105 1063035345 /nfs/dbraw/zinc/03/53/45/1063035345.db2.gz KVQJURREWKXMAU-KSFYIVLOSA-N 0 0 450.580 2.573 20 0 JFADRN COC(=O)c1ccc(C)c2c1N(C(=O)CN1C(=O)N[C@@](C)(c3ccc(F)cc3)C1=O)CCC2 ZINC001287675007 1063035813 /nfs/dbraw/zinc/03/58/13/1063035813.db2.gz UYGUFXITIBELEM-DEOSSOPVSA-N 0 0 453.470 2.667 20 0 JFADRN C[C@H]1CCC[C@@]1(O)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001291080652 1063035971 /nfs/dbraw/zinc/03/59/71/1063035971.db2.gz RXGVWUFGGPGARC-HRAATJIYSA-N 0 0 470.515 2.837 20 0 JFADRN C[C@@H]1CCC[C@]1(O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291080670 1063036248 /nfs/dbraw/zinc/03/62/48/1063036248.db2.gz SBXNCWROIWFNHW-RRQZXNHTSA-N 0 0 490.649 2.787 20 0 JFADRN C[C@@H]1CCC[C@@]1(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001291080709 1063036746 /nfs/dbraw/zinc/03/67/46/1063036746.db2.gz SMFGYZXQNMIHSA-HYFFOGBASA-N 0 0 498.049 2.532 20 0 JFADRN C[C@H]1CCC[C@@]1(O)Cn1c(Cc2ccncc2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001291080746 1063036867 /nfs/dbraw/zinc/03/68/67/1063036867.db2.gz SVHGFNLXNZYAFW-NBGIEHNGSA-N 0 0 456.635 2.610 20 0 JFADRN CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)C1CCCC1 ZINC001295219052 1063036895 /nfs/dbraw/zinc/03/68/95/1063036895.db2.gz OCIBTYGGTFSVFF-GUDVDZBRSA-N 0 0 467.680 2.837 20 0 JFADRN CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC001295219053 1063036959 /nfs/dbraw/zinc/03/69/59/1063036959.db2.gz OCIBTYGGTFSVFF-OTWHNJEPSA-N 0 0 467.680 2.837 20 0 JFADRN O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC001287683749 1063037272 /nfs/dbraw/zinc/03/72/72/1063037272.db2.gz WGTYAZYRMWEPML-IBGZPJMESA-N 0 0 456.424 2.846 20 0 JFADRN C[C@H]1CCC[C@]1(O)Cn1c(CN2CCCC2=O)nnc1N(C)CCCOc1ccc(F)cc1 ZINC001291080907 1063037277 /nfs/dbraw/zinc/03/72/77/1063037277.db2.gz VGGIYKKWIZIBAW-UUOWRZLLSA-N 0 0 459.566 2.996 20 0 JFADRN CCN(c1nnc(CC(C)C)n1CC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001295219403 1063037440 /nfs/dbraw/zinc/03/74/40/1063037440.db2.gz VGRSESBQZCQFJK-KRWDZBQOSA-N 0 0 465.586 2.764 20 0 JFADRN CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CS(C)(=O)=O)c1)[C@@H](C)C1CCC1 ZINC001295219641 1063037908 /nfs/dbraw/zinc/03/79/08/1063037908.db2.gz OHUCFCQQRNVYGD-LAUBAEHRSA-N 0 0 494.683 2.788 20 0 JFADRN C[C@@H]1CCC[C@@]1(O)Cn1c(Cc2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001291081099 1063037965 /nfs/dbraw/zinc/03/79/65/1063037965.db2.gz XKVBURWYVPGBRX-LYHRCORUSA-N 0 0 464.607 2.963 20 0 JFADRN C[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCC[C@H]2C)C[C@@H]1F ZINC001291081195 1063038244 /nfs/dbraw/zinc/03/82/44/1063038244.db2.gz YLKDGZSHOHCSDP-SVICIFOVSA-N 0 0 467.586 2.932 20 0 JFADRN C[C@@H]1CCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001291083253 1063039212 /nfs/dbraw/zinc/03/92/12/1063039212.db2.gz ZJYYYKNWGYCFSD-GUDVDZBRSA-N 0 0 476.622 2.680 20 0 JFADRN CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCSCCCO)C(C)C ZINC001295220435 1063040199 /nfs/dbraw/zinc/04/01/99/1063040199.db2.gz YFSVZMOZTWFZBM-KRWDZBQOSA-N 0 0 457.641 2.937 20 0 JFADRN CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c(OC)c(OC)c1)C1CC1 ZINC001295220631 1063040355 /nfs/dbraw/zinc/04/03/55/1063040355.db2.gz QEIVTKOSLZGKQY-CQSZACIVSA-N 0 0 454.980 2.888 20 0 JFADRN CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1)C(C)C ZINC001295220611 1063040421 /nfs/dbraw/zinc/04/04/21/1063040421.db2.gz PUIJLMPGVKAYQD-YADHBBJMSA-N 0 0 475.659 2.706 20 0 JFADRN CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1)C1CC1 ZINC001295220811 1063040853 /nfs/dbraw/zinc/04/08/53/1063040853.db2.gz RKIWFPHSMDWABC-CQSZACIVSA-N 0 0 459.494 2.553 20 0 JFADRN CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(OC)c1)C(C)C ZINC001295220795 1063040992 /nfs/dbraw/zinc/04/09/92/1063040992.db2.gz WHRAJALTGZBGSJ-HXUWFJFHSA-N 0 0 479.647 2.832 20 0 JFADRN CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H](C)C1)C1CCCCC1 ZINC001295221118 1063041835 /nfs/dbraw/zinc/04/18/35/1063041835.db2.gz YMDLBYFXCYIPLQ-BJLQDIEVSA-N 0 0 469.652 2.585 20 0 JFADRN CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H](C)C1)C1CCCCC1 ZINC001295221119 1063041884 /nfs/dbraw/zinc/04/18/84/1063041884.db2.gz YMDLBYFXCYIPLQ-GGPKGHCWSA-N 0 0 469.652 2.585 20 0 JFADRN C[C@@H]1CCCC[C@@H]1OCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001291085579 1063041933 /nfs/dbraw/zinc/04/19/33/1063041933.db2.gz CYCPYVPVGHZBAM-SQNIBIBYSA-N 0 0 472.556 2.899 20 0 JFADRN CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)NC)c1)[C@@H](C)C1CCC1 ZINC001295221429 1063042429 /nfs/dbraw/zinc/04/24/29/1063042429.db2.gz VCNGABGNQLOJKD-LAUBAEHRSA-N 0 0 473.643 2.797 20 0 JFADRN C[C@H]1CCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001291086275 1063043347 /nfs/dbraw/zinc/04/33/47/1063043347.db2.gz LKGSXJUWYKAPOR-INDMIFKZSA-N 0 0 453.653 2.715 20 0 JFADRN C[C@@H]1CCCC[C@H]1OCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001291086438 1063043505 /nfs/dbraw/zinc/04/35/05/1063043505.db2.gz NFWLFHBAWUWMKL-DBXWQHBBSA-N 0 0 489.642 2.611 20 0 JFADRN C[C@H](N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCO[C@H]2CCCC[C@H]2C)CC1)C(F)(F)F ZINC001291087283 1063043988 /nfs/dbraw/zinc/04/39/88/1063043988.db2.gz ZROANQOMCOKSKD-OWSLCNJRSA-N 0 0 472.556 2.897 20 0 JFADRN CC(C)CN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F)C(C)C ZINC001287706516 1063044044 /nfs/dbraw/zinc/04/40/44/1063044044.db2.gz JRDBRHVJNBYPNS-INIZCTEOSA-N 0 0 488.580 2.839 20 0 JFADRN CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 ZINC001295225310 1063044131 /nfs/dbraw/zinc/04/41/31/1063044131.db2.gz JDUIIYDSWJHOEQ-ZWKOTPCHSA-N 0 0 482.697 2.740 20 0 JFADRN CC(C)CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C2CC2)cs1)C(C)C ZINC001287707129 1063044437 /nfs/dbraw/zinc/04/44/37/1063044437.db2.gz PHUVLTBTYNSWJL-SFHVURJKSA-N 0 0 482.676 2.864 20 0 JFADRN C[C@H]1CCCC[C@H]1OCCn1c(Cc2ccncc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001291088332 1063044925 /nfs/dbraw/zinc/04/49/25/1063044925.db2.gz OXBZLLXNYBZGAP-SIKLNZKXSA-N 0 0 490.674 2.625 20 0 JFADRN C[C@@H]1CCCC[C@@H]1OCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001291088469 1063045307 /nfs/dbraw/zinc/04/53/07/1063045307.db2.gz QGWLDVYESPXCDE-WCIQWLHISA-N 0 0 454.637 2.781 20 0 JFADRN COc1ccc(C(=O)NC(C)(C)C(=O)OC(C)(C)C)cc1S(=O)(=O)Cc1cc(C)no1 ZINC001287711299 1063045998 /nfs/dbraw/zinc/04/59/98/1063045998.db2.gz FJKZQIZXJZZJAJ-UHFFFAOYSA-N 0 0 452.529 2.816 20 0 JFADRN C[C@@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 ZINC001291088621 1063046176 /nfs/dbraw/zinc/04/61/76/1063046176.db2.gz RYMUBJNVLXHWFC-IEBWSBKVSA-N 0 0 456.566 2.624 20 0 JFADRN CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001295226372 1063046243 /nfs/dbraw/zinc/04/62/43/1063046243.db2.gz NIKPGWJMECEPGT-LJQANCHMSA-N 0 0 463.007 2.626 20 0 JFADRN C[C@H]1CCCC[C@@H]1OCCn1c(CCOc2ccccc2)nnc1N1CCS(=O)(=O)CC1 ZINC001291088733 1063046326 /nfs/dbraw/zinc/04/63/26/1063046326.db2.gz UGDUFHUNYSVORI-FPOVZHCZSA-N 0 0 462.616 2.730 20 0 JFADRN CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001295226470 1063046424 /nfs/dbraw/zinc/04/64/24/1063046424.db2.gz XHFLUPPXSKWPKV-HOJAQTOUSA-N 0 0 462.616 2.564 20 0 JFADRN CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 ZINC001295226572 1063046749 /nfs/dbraw/zinc/04/67/49/1063046749.db2.gz QEGGURYHLDMOQX-HNNXBMFYSA-N 0 0 497.593 2.812 20 0 JFADRN CC(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001287713677 1063046983 /nfs/dbraw/zinc/04/69/83/1063046983.db2.gz MUVSRZSHMYURPB-BEFAXECRSA-N 0 0 453.584 2.633 20 0 JFADRN C[C@H]1CCCC[C@@H]1OCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)C1 ZINC001291089026 1063047143 /nfs/dbraw/zinc/04/71/43/1063047143.db2.gz XWTZSIBMGFNZIH-OKYOBFRVSA-N 0 0 476.622 2.580 20 0 JFADRN 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C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001291321638 1063763781 /nfs/dbraw/zinc/76/37/81/1063763781.db2.gz LMAHKHGGBUEYON-YYQBIWNASA-N 0 0 451.365 2.861 20 0 JFADRN CCN(C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CCC2)C1)CC(F)(F)F ZINC001295759993 1063764143 /nfs/dbraw/zinc/76/41/43/1063764143.db2.gz FZLFBLNQMDGZRK-KRWDZBQOSA-N 0 0 452.525 2.889 20 0 JFADRN C[C@H]1OCC[C@@]1(O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001291321659 1063764201 /nfs/dbraw/zinc/76/42/01/1063764201.db2.gz LSFYYACMZWMNAZ-IVZQSRNASA-N 0 0 492.418 2.729 20 0 JFADRN CCN(C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCC(=O)N(C)C)C1)CC(F)(F)F ZINC001295760529 1063764193 /nfs/dbraw/zinc/76/41/93/1063764193.db2.gz GKQNONGTJGHPKK-ZWKOTPCHSA-N 0 0 474.572 2.751 20 0 JFADRN CCN(C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCSC2)C1)CC(F)(F)F ZINC001295761296 1063765110 /nfs/dbraw/zinc/76/51/10/1063765110.db2.gz KRBYHSGJQPLUNP-LAUBAEHRSA-N 0 0 484.592 2.842 20 0 JFADRN C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCn1cccn1 ZINC001291322105 1063765554 /nfs/dbraw/zinc/76/55/54/1063765554.db2.gz SGUPPECWZFXJAH-VLIAUNLRSA-N 0 0 479.354 2.720 20 0 JFADRN CCN(C[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CC=CCO2)C1)CC(F)(F)F ZINC001295761666 1063765531 /nfs/dbraw/zinc/76/55/31/1063765531.db2.gz FMJREQXBIGTKOQ-DLBZAZTESA-N 0 0 451.497 2.791 20 0 JFADRN C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(Br)s2)nnc1N(C)CCc1cnccn1 ZINC001291322449 1063766613 /nfs/dbraw/zinc/76/66/13/1063766613.db2.gz WSUMFXIRLSDMSR-ORAYPTAESA-N 0 0 479.404 2.778 20 0 JFADRN C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(Cl)c2)nnc1N(CCO)CCOCC(F)(F)F ZINC001291322410 1063766638 /nfs/dbraw/zinc/76/66/38/1063766638.db2.gz WILMEXPLOCXQFA-LIRRHRJNSA-N 0 0 478.899 2.516 20 0 JFADRN C[C@H]1OCC[C@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001291322659 1063767342 /nfs/dbraw/zinc/76/73/42/1063767342.db2.gz YWAJZNJRYRAWLR-ASSNKEHSSA-N 0 0 499.469 2.579 20 0 JFADRN CCN(C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccn(CC)c2=O)C1)CC(F)(F)F ZINC001295763106 1063767367 /nfs/dbraw/zinc/76/73/67/1063767367.db2.gz RCBXBHIJFLBQPE-PKOBYXMFSA-N 0 0 482.551 2.722 20 0 JFADRN CCN(C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)C(C)(C)C)C1)CC(F)(F)F ZINC001295763072 1063767870 /nfs/dbraw/zinc/76/78/70/1063767870.db2.gz LFHGYGJLRKZZTQ-INIZCTEOSA-N 0 0 482.555 2.608 20 0 JFADRN CCN(C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(CO)c2)C1)CC(F)(F)F ZINC001295762993 1063767916 /nfs/dbraw/zinc/76/79/16/1063767916.db2.gz KGMAJUNNNZKBBG-IBGZPJMESA-N 0 0 477.535 2.930 20 0 JFADRN CCN(C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCc2cnn(C)n2)C1)CC(F)(F)F ZINC001295763113 1063767970 /nfs/dbraw/zinc/76/79/70/1063767970.db2.gz RFLGAZYLZAJWBG-QZTJIDSGSA-N 0 0 484.571 2.644 20 0 JFADRN C[C@@H]1OCC[C@]1(O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001291322797 1063767949 /nfs/dbraw/zinc/76/79/49/1063767949.db2.gz ATNQKVMAHYURCA-RPPIVITFSA-N 0 0 493.649 2.936 20 0 JFADRN C[C@@H]1OCC[C@]1(O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001291323169 1063769517 /nfs/dbraw/zinc/76/95/17/1063769517.db2.gz HNPRADUYLAYFAN-KHOMTPLRSA-N 0 0 486.617 2.545 20 0 JFADRN C[C@H]1OCC[C@]1(O)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291323455 1063769544 /nfs/dbraw/zinc/76/95/44/1063769544.db2.gz KPROHHGQIJWVBX-BSWQBHCVSA-N 0 0 471.602 2.707 20 0 JFADRN CCN(C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2c(C)noc2C)C1)CC(F)(F)F ZINC001295763771 1063769840 /nfs/dbraw/zinc/76/98/40/1063769840.db2.gz WBDNETMMOYEHCH-SJLPKXTDSA-N 0 0 483.539 2.787 20 0 JFADRN CCN(C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)N2CCCCC2)C1)CC(F)(F)F ZINC001295764231 1063770889 /nfs/dbraw/zinc/77/08/89/1063770889.db2.gz YVJXZLVGTNLPPO-RTBURBONSA-N 0 0 486.583 2.895 20 0 JFADRN C[C@@H]1OCC[C@@]1(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001291324009 1063771485 /nfs/dbraw/zinc/77/14/85/1063771485.db2.gz RHDZMWPKRPKCBO-ORAYPTAESA-N 0 0 476.446 2.581 20 0 JFADRN CCN(C[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C(N)=O)cc2)C1)CC(F)(F)F ZINC001295765033 1063772048 /nfs/dbraw/zinc/77/20/48/1063772048.db2.gz ZGTUPJXZAHZSDA-KRWDZBQOSA-N 0 0 488.518 2.593 20 0 JFADRN CCN(C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(C)CCCO2)C1)CC(F)(F)F ZINC001295765663 1063772363 /nfs/dbraw/zinc/77/23/63/1063772363.db2.gz BRSNTCQWODULHS-DYESRHJHSA-N 0 0 472.556 2.680 20 0 JFADRN C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001291324786 1063772824 /nfs/dbraw/zinc/77/28/24/1063772824.db2.gz AJMMSTKDVMMNHY-OYFMXXACSA-N 0 0 462.513 2.504 20 0 JFADRN C[C@H]1OCC[C@@]12CN(c1nnc(Cc3ccccc3F)n1CCSCCCO)CCO2 ZINC001291325137 1063774207 /nfs/dbraw/zinc/77/42/07/1063774207.db2.gz FJCQGXNNUKVAJX-VGOFRKELSA-N 0 0 450.580 2.508 20 0 JFADRN C[C@@H]1OCC[C@]12CN(c1nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n1CC(C)(C)O)CCO2 ZINC001291325206 1063774216 /nfs/dbraw/zinc/77/42/16/1063774216.db2.gz GCXWEDJMGSMZHF-XFAGBWLFSA-N 0 0 479.622 2.548 20 0 JFADRN C[C@H]1OCC[C@]1(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC(F)C1 ZINC001291325355 1063774741 /nfs/dbraw/zinc/77/47/41/1063774741.db2.gz IHKALUNUNUTLMY-NWGNIQTGSA-N 0 0 467.586 2.773 20 0 JFADRN C[C@@H]1OCC[C@@]12CN(c1nnc([C@@H]3CCCOC3)n1CCCCNC(=O)OC(C)(C)C)CCO2 ZINC001291325382 1063775279 /nfs/dbraw/zinc/77/52/79/1063775279.db2.gz INBCIDAUXYAWCB-XLNZFTOWSA-N 0 0 479.622 2.861 20 0 JFADRN CCN(C[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H]2COCCO2)C1)CC(F)(F)F ZINC001295767008 1063775881 /nfs/dbraw/zinc/77/58/81/1063775881.db2.gz ONCZBSRAYHWACB-PMACEKPBSA-N 0 0 499.582 2.656 20 0 JFADRN CCN(C[C@H]1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCC(=O)N2)C1)CC(F)(F)F ZINC001295767450 1063776243 /nfs/dbraw/zinc/77/62/43/1063776243.db2.gz QRACLXCAKHJVPN-QZTJIDSGSA-N 0 0 456.557 3.000 20 0 JFADRN C[C@@H]1OCC[C@]12CN(c1nnc(C(C)(C)C)n1CC[C@@H](N1CCOCC1)C(F)(F)F)CCO2 ZINC001291325535 1063776266 /nfs/dbraw/zinc/77/62/66/1063776266.db2.gz KGZIVAIHMAFULU-FVJLSDCUSA-N 0 0 475.556 2.613 20 0 JFADRN C[C@@H]1[C@H](C)SCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N(C)C)nc1 ZINC001291325525 1063776280 /nfs/dbraw/zinc/77/62/80/1063776280.db2.gz KCGKVEGARVWYJC-CVEARBPZSA-N 0 0 452.588 2.765 20 0 JFADRN CCN(C[C@H]1COc2ccccc2O1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](F)COC ZINC001295767253 1063776379 /nfs/dbraw/zinc/77/63/79/1063776379.db2.gz QFWFJVWKOBFGJX-SJORKVTESA-N 0 0 470.505 2.576 20 0 JFADRN CCN(C[C@@H]1COc2ccccc2O1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@H]1OC ZINC001295767739 1063777321 /nfs/dbraw/zinc/77/73/21/1063777321.db2.gz TWHRJJOXRNAZJL-IPMKNSEASA-N 0 0 457.575 2.898 20 0 JFADRN C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291325792 1063777431 /nfs/dbraw/zinc/77/74/31/1063777431.db2.gz NKGBRLMBEPDPDK-READRUSDSA-N 0 0 491.564 2.640 20 0 JFADRN Cc1nc([C@@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)c2ccc(Cl)cc2)no1 ZINC001295768714 1063778308 /nfs/dbraw/zinc/77/83/08/1063778308.db2.gz VTDZZXFMRXNQFM-IBGZPJMESA-N 0 0 450.886 2.933 20 0 JFADRN C[C@@H]1OCC[C@]12CN(c1nnc(Cc3ccccn3)n1CCOCC(F)(F)C(F)F)CCO2 ZINC001291326208 1063779021 /nfs/dbraw/zinc/77/90/21/1063779021.db2.gz SJVJEILONWRECW-YWZLYKJASA-N 0 0 473.471 2.565 20 0 JFADRN C[C@@H]1[C@H](C)SCCN1c1nnc(C(=O)N2CCCC2)n1CCc1nccc(C(F)(F)F)n1 ZINC001291326278 1063779920 /nfs/dbraw/zinc/77/99/20/1063779920.db2.gz UKOHVVQFZZYNID-KGLIPLIRSA-N 0 0 469.537 2.896 20 0 JFADRN C[C@@H]1OCC[C@@]12CN(c1nnc(Cc3ccc(F)cc3)n1CCN(C)CC(F)(F)F)CCO2 ZINC001291326329 1063779999 /nfs/dbraw/zinc/77/99/99/1063779999.db2.gz VBZVATRVZOCAQS-HRAATJIYSA-N 0 0 471.499 2.886 20 0 JFADRN C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC001295772756 1063780490 /nfs/dbraw/zinc/78/04/90/1063780490.db2.gz ONEMKFMEHPZSGM-HZPDHXFCSA-N 0 0 457.568 2.646 20 0 JFADRN C[C@@H]1OCC[C@]12CN(c1nnc(CC(C)(C)C)n1CC1(S(C)(=O)=O)CCCC1)CCO2 ZINC001291326598 1063780456 /nfs/dbraw/zinc/78/04/56/1063780456.db2.gz XXJLJAOWHYTMCC-JTSKRJEESA-N 0 0 454.637 2.608 20 0 JFADRN 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CC[C@@H](C)[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C)cc2)CC1 ZINC001291382062 1063922165 /nfs/dbraw/zinc/92/21/65/1063922165.db2.gz RDFXAETVODUISY-NLFFAJNJSA-N 0 0 454.619 2.946 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC001291382313 1063923167 /nfs/dbraw/zinc/92/31/67/1063923167.db2.gz VHUKJSFHXACJNJ-VAXXYWNWSA-N 0 0 465.639 2.768 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(-c2cccn2C)n1CCOc1cccc(Cl)c1 ZINC001295880085 1063923579 /nfs/dbraw/zinc/92/35/79/1063923579.db2.gz BFRPIXAZZVBTQK-UHFFFAOYSA-N 0 0 451.980 2.887 20 0 JFADRN CC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001291382417 1063923593 /nfs/dbraw/zinc/92/35/93/1063923593.db2.gz WUVNCTRGODHFGE-GRWTVWFQSA-N 0 0 465.545 2.768 20 0 JFADRN CC[C@@H](C)[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001291382470 1063923939 /nfs/dbraw/zinc/92/39/39/1063923939.db2.gz XZLYVXXNBORNTH-QVKFZJNVSA-N 0 0 452.003 2.905 20 0 JFADRN CC[C@H](C)[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001291382469 1063923967 /nfs/dbraw/zinc/92/39/67/1063923967.db2.gz XZLYVXXNBORNTH-BTYIYWSLSA-N 0 0 452.003 2.905 20 0 JFADRN CC[C@H](C)[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001291382484 1063924247 /nfs/dbraw/zinc/92/42/47/1063924247.db2.gz YBTFJUADABQIEZ-XDHUDOTRSA-N 0 0 476.572 2.916 20 0 JFADRN CC[C@H](C)[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001291382681 1063925099 /nfs/dbraw/zinc/92/50/99/1063925099.db2.gz AYHLNEDPEBQTIB-WCJKSRRJSA-N 0 0 471.587 2.757 20 0 JFADRN CC[C@H](C)[C@@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ncc(C)s2)CC1 ZINC001291383311 1063926183 /nfs/dbraw/zinc/92/61/83/1063926183.db2.gz JYKNITGBJHMQMY-PXARDIRTSA-N 0 0 484.692 2.834 20 0 JFADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(N)=O)CC1 ZINC001291383641 1063926208 /nfs/dbraw/zinc/92/62/08/1063926208.db2.gz NTEGKQNVXGUWFN-RBZFPXEDSA-N 0 0 467.412 2.545 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001291383470 1063926222 /nfs/dbraw/zinc/92/62/22/1063926222.db2.gz LSZLZUQOXKVJKS-SIBFUHKCSA-N 0 0 452.518 2.955 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CF ZINC001295881498 1063927017 /nfs/dbraw/zinc/92/70/17/1063927017.db2.gz OONNGMDCYCTPLJ-YESZJQIVSA-N 0 0 473.615 2.794 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCCCO2)n1CCCN1CCc2ccccc2C1 ZINC001295881581 1063927087 /nfs/dbraw/zinc/92/70/87/1063927087.db2.gz PVLVAKUYFFGIKL-JOCHJYFZSA-N 0 0 475.659 2.839 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 ZINC001295881610 1063927114 /nfs/dbraw/zinc/92/71/14/1063927114.db2.gz QMYBLWINVIOLKT-NHCUHLMSSA-N 0 0 492.642 2.567 20 0 JFADRN CC[C@@H](C)[C@@](C)(O)Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001291384012 1063927401 /nfs/dbraw/zinc/92/74/01/1063927401.db2.gz RNPXQPCSSRFCGV-VGSWGCGISA-N 0 0 467.611 2.849 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 ZINC001291384089 1063927433 /nfs/dbraw/zinc/92/74/33/1063927433.db2.gz SPOIJTFSODFEFK-NJNPRVFISA-N 0 0 479.622 2.801 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC(=O)NC(C)C ZINC001291384450 1063928275 /nfs/dbraw/zinc/92/82/75/1063928275.db2.gz XGCDPSGVQHMQSW-VBKZILBWSA-N 0 0 469.428 2.804 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(-c2noc3c2COCC3)n1Cc1ccccc1C(F)(F)F ZINC001295881810 1063928278 /nfs/dbraw/zinc/92/82/78/1063928278.db2.gz SAKHVJKNJDETBO-UHFFFAOYSA-N 0 0 499.515 2.944 20 0 JFADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001291384729 1063928671 /nfs/dbraw/zinc/92/86/71/1063928671.db2.gz BJFULKXCPGAQBS-OVCNXMPXSA-N 0 0 479.647 2.606 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1ccc(N(C)C)nc1 ZINC001295881988 1063928687 /nfs/dbraw/zinc/92/86/87/1063928687.db2.gz WPNBLTRGTOWYSV-UHFFFAOYSA-N 0 0 495.609 2.980 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(-c2ccc[nH]2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC001295881961 1063928747 /nfs/dbraw/zinc/92/87/47/1063928747.db2.gz VWIXEQXYWJALFI-OAHLLOKOSA-N 0 0 459.572 2.524 20 0 JFADRN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2oncc2C1 ZINC001291384882 1063928984 /nfs/dbraw/zinc/92/89/84/1063928984.db2.gz DNLRMMVJAIIWEV-MWTRTKDXSA-N 0 0 488.614 2.543 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(-c2cnn(C)c2)n1CC1(c2ccccc2OC)CCC1 ZINC001295882276 1063929534 /nfs/dbraw/zinc/92/95/34/1063929534.db2.gz YVDTVEVESKUSOS-UHFFFAOYSA-N 0 0 472.615 2.680 20 0 JFADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001291385452 1063930147 /nfs/dbraw/zinc/93/01/47/1063930147.db2.gz LJEXTJIFYPYKCR-WXVUKLJWSA-N 0 0 494.658 2.776 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCCOC2)n1CCNc1ncc(Cl)cc1Cl ZINC001295884438 1063930301 /nfs/dbraw/zinc/93/03/01/1063930301.db2.gz BAZIGUHZHHBBMO-AWEZNQCLSA-N 0 0 491.445 2.857 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCn2cc(C)nc21 ZINC001295884682 1063930630 /nfs/dbraw/zinc/93/06/30/1063930630.db2.gz CYFNFDTWTYHSHY-LJQANCHMSA-N 0 0 474.606 2.961 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(Cc2ccncc2)n1Cc1ccc(OC)c(Cl)c1 ZINC001295884793 1063931041 /nfs/dbraw/zinc/93/10/41/1063931041.db2.gz AZXLKDRMKIZXCC-UHFFFAOYSA-N 0 0 463.991 2.845 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001291385781 1063931156 /nfs/dbraw/zinc/93/11/56/1063931156.db2.gz PVDNYRNJQKIZLZ-GSHUGGBRSA-N 0 0 495.466 2.991 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(CC2CCCC2)n1CCc1ccc2c(c1)OCCO2 ZINC001295885564 1063932535 /nfs/dbraw/zinc/93/25/35/1063932535.db2.gz KBPAOODZILVNHJ-UHFFFAOYSA-N 0 0 462.616 2.896 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@](C)(CC)O1 ZINC001295885943 1063932944 /nfs/dbraw/zinc/93/29/44/1063932944.db2.gz NTQWHLNVOSZKNZ-PXNSSMCTSA-N 0 0 455.650 2.852 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(Cc2cccnc2)n1Cc1cc(OC)nc2ccccc12 ZINC001295885860 1063932960 /nfs/dbraw/zinc/93/29/60/1063932960.db2.gz LNIYSNQGRSGOSP-UHFFFAOYSA-N 0 0 480.594 2.740 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001291386520 1063933113 /nfs/dbraw/zinc/93/31/13/1063933113.db2.gz ZEZJDNHVVHFFEI-ZERDBPEESA-N 0 0 492.642 2.530 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](COC)C1 ZINC001291386720 1063933719 /nfs/dbraw/zinc/93/37/19/1063933719.db2.gz AYVJAPGGNOYZIM-YZZKKUAISA-N 0 0 454.579 2.581 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(Cc2c[nH]c3ccccc23)n1CCn1cc(Cl)cn1 ZINC001295886829 1063934252 /nfs/dbraw/zinc/93/42/52/1063934252.db2.gz WBSCUFWZQHIGRJ-UHFFFAOYSA-N 0 0 476.006 2.771 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(Cc2ccncc2)n1CCc1nc(C(F)(F)F)cs1 ZINC001295887238 1063935303 /nfs/dbraw/zinc/93/53/03/1063935303.db2.gz YPHMCZZMXFWWJS-UHFFFAOYSA-N 0 0 488.561 2.853 20 0 JFADRN CCN1C(=O)[C@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](C)Oc3ccc(F)cc3)CCN2C1=O ZINC001295888052 1063936287 /nfs/dbraw/zinc/93/62/87/1063936287.db2.gz CFBXZESSSXZFQU-CRAIPNDOSA-N 0 0 458.538 2.655 20 0 JFADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001291388459 1063936921 /nfs/dbraw/zinc/93/69/21/1063936921.db2.gz YGILUBSWQDKDHS-NIYFSFCBSA-N 0 0 485.629 2.826 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCCO2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001295888139 1063937011 /nfs/dbraw/zinc/93/70/11/1063937011.db2.gz FKKPNVRZDRQSQF-QGZVFWFLSA-N 0 0 451.593 2.621 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(F)cccc1Cl ZINC001295888271 1063937427 /nfs/dbraw/zinc/93/74/27/1063937427.db2.gz ISYYVAQJECTSPW-KSSFIOAISA-N 0 0 474.986 2.714 20 0 JFADRN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001291389074 1063938394 /nfs/dbraw/zinc/93/83/94/1063938394.db2.gz HGVYUUIFEDOQHV-MWTRTKDXSA-N 0 0 473.574 2.838 20 0 JFADRN CCN1C(=O)[C@H]2CN(c3nnc(C(C)C)n3CCc3ccc(Br)cc3)CCN2C1=O ZINC001295889007 1063939885 /nfs/dbraw/zinc/93/98/85/1063939885.db2.gz ACRFQERWBJXNJH-QGZVFWFLSA-N 0 0 475.391 2.879 20 0 JFADRN CCN1C(=O)[C@H]2CN(c3nnc(-c4ccccc4Cl)n3CCCOC(F)F)CCN2C1=O ZINC001295890076 1063940994 /nfs/dbraw/zinc/94/09/94/1063940994.db2.gz KRCNCLFEJAYYCG-OAHLLOKOSA-N 0 0 468.892 2.701 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC001291391147 1063941636 /nfs/dbraw/zinc/94/16/36/1063941636.db2.gz GSZBTJICBTYCND-NPMXOYFQSA-N 0 0 450.547 2.761 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC001291391822 1063942864 /nfs/dbraw/zinc/94/28/64/1063942864.db2.gz OWUQEIAPKDCMKZ-LZCXECNNSA-N 0 0 483.661 2.660 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC001291392156 1063943626 /nfs/dbraw/zinc/94/36/26/1063943626.db2.gz SYTXJEMHTNPRLH-RXFWQSSRSA-N 0 0 479.629 2.841 20 0 JFADRN CCn1cc(C2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCCOCC(C)C)CC2)cn1 ZINC001295892202 1063944021 /nfs/dbraw/zinc/94/40/21/1063944021.db2.gz APCFPUGSKXJVOH-FQEVSTJZSA-N 0 0 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/nfs/dbraw/zinc/87/76/76/1065877676.db2.gz ZAPODGZSDIOLPQ-DEOSSOPVSA-N 0 0 456.539 2.881 20 0 JFADRN COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)c1c[nH]c(Br)c1)CC2 ZINC001293224106 1065877717 /nfs/dbraw/zinc/87/77/17/1065877717.db2.gz XGOJRGUBDPTQJH-UHFFFAOYSA-N 0 0 450.333 2.889 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cnn(CC(C)C)c1C ZINC001293226476 1065878358 /nfs/dbraw/zinc/87/83/58/1065878358.db2.gz ADWCBEXMUWWFAB-HXUWFJFHSA-N 0 0 481.601 2.886 20 0 JFADRN COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)[C@H]1COC[C@H]1c1ccccc1)CC2 ZINC001293224215 1065878369 /nfs/dbraw/zinc/87/83/69/1065878369.db2.gz ZBTFDLLHVVQSBS-VXKWHMMOSA-N 0 0 452.551 2.915 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCc1n[nH]c(C)n1 ZINC001293226540 1065878861 /nfs/dbraw/zinc/87/88/61/1065878861.db2.gz AUWKIYLHOHZAOM-HXUWFJFHSA-N 0 0 466.590 2.754 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC(F)(F)Br ZINC001293226841 1065879419 /nfs/dbraw/zinc/87/94/19/1065879419.db2.gz DBZUKIVXPONCLK-LBPRGKRZSA-N 0 0 474.306 2.665 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(F)cc2Br)n1CCc1nccnc1C ZINC001293228699 1065883220 /nfs/dbraw/zinc/88/32/20/1065883220.db2.gz OHHHYXSEEMKHEK-GOSISDBHSA-N 0 0 488.365 2.903 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC(C)(C)C(F)(F)F ZINC001293229171 1065884482 /nfs/dbraw/zinc/88/44/82/1065884482.db2.gz LNZGYEQUPAMYOO-MRXNPFEDSA-N 0 0 491.518 2.978 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCCCO2)n1Cc1cccc(OCCCOC)c1 ZINC001293230004 1065886450 /nfs/dbraw/zinc/88/64/50/1065886450.db2.gz QKQWDVCWMNZZKW-NHCUHLMSSA-N 0 0 457.575 2.698 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@]1(O)CCSC1 ZINC001293230112 1065886994 /nfs/dbraw/zinc/88/69/94/1065886994.db2.gz YNXFNLKZUXJIDQ-GBXCKJPGSA-N 0 0 473.643 2.953 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@]1(O)CCSC1 ZINC001293230113 1065887108 /nfs/dbraw/zinc/88/71/08/1065887108.db2.gz YNXFNLKZUXJIDQ-HYBUGGRVSA-N 0 0 473.643 2.953 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1nccs1 ZINC001293230461 1065887432 /nfs/dbraw/zinc/88/74/32/1065887432.db2.gz APHYYIVGYNLRDP-IRXDYDNUSA-N 0 0 489.646 2.807 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc(CC(C)(C)C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001293231295 1065888812 /nfs/dbraw/zinc/88/88/12/1065888812.db2.gz GXHIAYAFPAVBCS-PMACEKPBSA-N 0 0 468.602 2.747 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccc(C)cc1 ZINC001293231765 1065889395 /nfs/dbraw/zinc/88/93/95/1065889395.db2.gz IZECJCDJMLUWEU-RTWAWAEBSA-N 0 0 498.628 2.852 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCCCO2)n1CCc1ccc(OC)c(OC)c1OC ZINC001293232726 1065891314 /nfs/dbraw/zinc/89/13/14/1065891314.db2.gz OAEJFOJBFISPEU-MJGOQNOKSA-N 0 0 473.574 2.503 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(O)(CC)CC ZINC001293233737 1065891841 /nfs/dbraw/zinc/89/18/41/1065891841.db2.gz UYNIRNAHAHPXHM-MSOLQXFVSA-N 0 0 478.638 2.659 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCCOC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001293234308 1065892436 /nfs/dbraw/zinc/89/24/36/1065892436.db2.gz ZUKREUOXRGFBKN-RHSMWYFYSA-N 0 0 452.481 2.543 20 0 JFADRN CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC001293236702 1065892969 /nfs/dbraw/zinc/89/29/69/1065892969.db2.gz QMYLZNRGJNOHDK-RHSMWYFYSA-N 0 0 453.609 2.762 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCCOC[C@H]1CCOC1 ZINC001293238263 1065893470 /nfs/dbraw/zinc/89/34/70/1065893470.db2.gz ASELKLAFCSKBNW-QUCCMNQESA-N 0 0 461.994 2.680 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccccc2F)n1CCOc1ncccc1Cl ZINC001293239090 1065895470 /nfs/dbraw/zinc/89/54/70/1065895470.db2.gz MESDLAZQXIBVRA-SFHVURJKSA-N 0 0 458.925 2.850 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccccn2)n1C[C@H](c1c(F)cccc1F)N(C)C ZINC001293240094 1065896877 /nfs/dbraw/zinc/89/68/77/1065896877.db2.gz WISBXNKWTUBYLS-VQTJNVASSA-N 0 0 469.540 2.560 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccn2)n1C[C@H](c1c(F)cccc1F)N(C)C ZINC001293240095 1065896954 /nfs/dbraw/zinc/89/69/54/1065896954.db2.gz WISBXNKWTUBYLS-WOJBJXKFSA-N 0 0 469.540 2.560 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc(CCCOc2ccc(Cl)cc2C)n1CCc1cn[nH]c1 ZINC001293240198 1065897238 /nfs/dbraw/zinc/89/72/38/1065897238.db2.gz BBONXFVOILFXPX-IBGZPJMESA-N 0 0 471.993 2.932 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCCn1ccnc1C ZINC001293242050 1065902604 /nfs/dbraw/zinc/90/26/04/1065902604.db2.gz HRBGQJPPTXKHNV-NRFANRHFSA-N 0 0 451.575 2.784 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc(Cc2csc(C)n2)n1Cc1cccc(Br)n1 ZINC001293242252 1065903496 /nfs/dbraw/zinc/90/34/96/1065903496.db2.gz QGLDBOBFWATIMC-HNNXBMFYSA-N 0 0 476.404 2.554 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc(CCc2ccccc2)n1CCCNC(=O)OC(C)(C)C ZINC001293242527 1065904682 /nfs/dbraw/zinc/90/46/82/1065904682.db2.gz RVQWVIHITYXGAQ-LJQANCHMSA-N 0 0 456.591 2.693 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc(Cc2csc(C)n2)n1CCCOc1cccc(OC)c1 ZINC001293243484 1065905839 /nfs/dbraw/zinc/90/58/39/1065905839.db2.gz WADKDXRRPLYGNQ-FQEVSTJZSA-N 0 0 470.599 2.826 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc(CCc2ccc(OC)cc2)n1CCC(=O)N1CCCCCC1 ZINC001293243504 1065906202 /nfs/dbraw/zinc/90/62/02/1065906202.db2.gz WEWAKBXECRUHFQ-JOCHJYFZSA-N 0 0 482.629 2.579 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(F)cc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001293243659 1065906721 /nfs/dbraw/zinc/90/67/21/1065906721.db2.gz AIQRDJYXNQUPLJ-LPHOPBHVSA-N 0 0 490.580 2.966 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccccc2OC)n1C[C@@](C)(O)C1CCCCC1 ZINC001293244030 1065907450 /nfs/dbraw/zinc/90/74/50/1065907450.db2.gz BQOJXJAHOPFPRQ-KBMIEXCESA-N 0 0 471.602 2.912 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CCCC(=O)N(C)C ZINC001293243831 1065907462 /nfs/dbraw/zinc/90/74/62/1065907462.db2.gz UDDVAFMNUHMZSS-HXUWFJFHSA-N 0 0 470.618 2.872 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1nc(C(C)(C)C)cs1 ZINC001293244070 1065907785 /nfs/dbraw/zinc/90/77/85/1065907785.db2.gz VKPRSQDABXSFOY-AWEZNQCLSA-N 0 0 487.655 2.787 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCCc1cnn(C)c1 ZINC001293244795 1065908620 /nfs/dbraw/zinc/90/86/20/1065908620.db2.gz XCJRJXPZNQZRKF-NRFANRHFSA-N 0 0 451.575 2.555 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCN1CCOC1=O ZINC001293244913 1065909082 /nfs/dbraw/zinc/90/90/82/1065909082.db2.gz XZGDOLYYNGIPQE-HXUWFJFHSA-N 0 0 484.601 2.712 20 0 JFADRN C[C@@H](CS(C)(=O)=O)N(C)C(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC001293245898 1065910397 /nfs/dbraw/zinc/91/03/97/1065910397.db2.gz HPCLNOAQBSMJJR-LBPRGKRZSA-N 0 0 457.643 2.791 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@H](C)c1nccs1 ZINC001293247781 1065912620 /nfs/dbraw/zinc/91/26/20/1065912620.db2.gz PVIRNKZOWXZNKB-YJBOKZPZSA-N 0 0 456.572 2.841 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1csc(C)n1 ZINC001293250294 1065915703 /nfs/dbraw/zinc/91/57/03/1065915703.db2.gz HBIFKHICDIEGSC-JQHSSLGASA-N 0 0 489.646 2.771 20 0 JFADRN CC[C@H]1[C@@H](C)CCN1c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(S(C)(=O)=O)cc1 ZINC001293251109 1065915991 /nfs/dbraw/zinc/91/59/91/1065915991.db2.gz MEIVZDKDHCYSIQ-PXNSSMCTSA-N 0 0 475.615 2.621 20 0 JFADRN CC[C@H]1C(=O)NCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(SC)cc1 ZINC001293251032 1065916017 /nfs/dbraw/zinc/91/60/17/1065916017.db2.gz LHMNPESCGMMZKC-IHPCNDPISA-N 0 0 459.616 2.682 20 0 JFADRN CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001293250971 1065916038 /nfs/dbraw/zinc/91/60/38/1065916038.db2.gz KVFMDBRLTKQSQZ-FXAWDEMLSA-N 0 0 459.616 2.732 20 0 JFADRN CO[C@@H](CNC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F)C(F)(F)F ZINC001293252733 1065916833 /nfs/dbraw/zinc/91/68/33/1065916833.db2.gz IZWUKRYQHZJVID-UWVGGRQHSA-N 0 0 457.400 2.705 20 0 JFADRN CO[C@H](CNC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F)C(F)(F)F ZINC001293252732 1065916867 /nfs/dbraw/zinc/91/68/67/1065916867.db2.gz IZWUKRYQHZJVID-NXEZZACHSA-N 0 0 457.400 2.705 20 0 JFADRN CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001293252137 1065916897 /nfs/dbraw/zinc/91/68/97/1065916897.db2.gz QNHZJPZOCFJSHV-OUUBHVDSSA-N 0 0 490.649 2.825 20 0 JFADRN CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 ZINC001293253082 1065917173 /nfs/dbraw/zinc/91/71/73/1065917173.db2.gz UHSHHDMBMRWBKV-YLJYHZDGSA-N 0 0 489.020 2.735 20 0 JFADRN CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCOCC2)c1 ZINC001293253400 1065917576 /nfs/dbraw/zinc/91/75/76/1065917576.db2.gz UNKGOLFTCAGGSY-DENIHFKCSA-N 0 0 454.619 2.922 20 0 JFADRN CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)c(OC)c(OC)c1 ZINC001293255303 1065918944 /nfs/dbraw/zinc/91/89/44/1065918944.db2.gz BGUZVJNRHWBQFK-BFYDXBDKSA-N 0 0 481.619 2.587 20 0 JFADRN CC[C@@H]1[C@@H](C)CCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)c(OC)c(OC)c1 ZINC001293255305 1065919371 /nfs/dbraw/zinc/91/93/71/1065919371.db2.gz BGUZVJNRHWBQFK-YQQAZPJKSA-N 0 0 481.619 2.587 20 0 JFADRN CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)NC ZINC001293255991 1065920556 /nfs/dbraw/zinc/92/05/56/1065920556.db2.gz CRFXUCRHMCDUTC-XJKSGUPXSA-N 0 0 456.410 2.882 20 0 JFADRN CC[C@@H]1[C@H](C)CCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001293257301 1065921312 /nfs/dbraw/zinc/92/13/12/1065921312.db2.gz IXUKTRIATZOHEB-ONHLAKKPSA-N 0 0 453.584 2.560 20 0 JFADRN CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001293257303 1065921324 /nfs/dbraw/zinc/92/13/24/1065921324.db2.gz IXUKTRIATZOHEB-YOZRSPHLSA-N 0 0 453.584 2.560 20 0 JFADRN CC[C@@H]1[C@@H](C)CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)n1 ZINC001293257972 1065922009 /nfs/dbraw/zinc/92/20/09/1065922009.db2.gz MJBQXTFBEKNHFO-GZBFAFLISA-N 0 0 460.526 2.975 20 0 JFADRN CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NC[C@@H]2CCOc3ccccc32)cc1 ZINC001293261595 1065924171 /nfs/dbraw/zinc/92/41/71/1065924171.db2.gz FQHTZQHECUEUPS-NNMXDRDESA-N 0 0 458.580 2.616 20 0 JFADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC(=O)OCc2ccccc2Cl)s1 ZINC001293266983 1065924846 /nfs/dbraw/zinc/92/48/46/1065924846.db2.gz NZKCWPDIUXUJSX-MRXNPFEDSA-N 0 0 456.973 2.723 20 0 JFADRN COCCOc1ccc(-n2nc(C)c(C(=O)NCC(=O)OCc3ccccc3Cl)n2)cc1 ZINC001293267619 1065925276 /nfs/dbraw/zinc/92/52/76/1065925276.db2.gz TXTJJPMKWWYCPY-UHFFFAOYSA-N 0 0 458.902 2.728 20 0 JFADRN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)Cc3ccc(Br)cc3O)CC2)C1 ZINC001293267769 1065925333 /nfs/dbraw/zinc/92/53/33/1065925333.db2.gz UUNAYMQNSKWWBR-QAPCUYQASA-N 0 0 452.393 2.536 20 0 JFADRN CC[C@@H]1[C@H](C)CCN1c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CCCNC(C)=O ZINC001293268410 1065926067 /nfs/dbraw/zinc/92/60/67/1065926067.db2.gz CSTQPIAWQPJWTP-OXQOHEQNSA-N 0 0 451.575 2.826 20 0 JFADRN CC[C@@H]1[C@@H](C)CCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F ZINC001293270802 1065927874 /nfs/dbraw/zinc/92/78/74/1065927874.db2.gz GFOVNEPIRWMBQZ-DBVUQKKJSA-N 0 0 465.595 2.732 20 0 JFADRN 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CC[C@H]1C[C@H](C)CN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCS(=O)(=O)NC ZINC001293299409 1065939994 /nfs/dbraw/zinc/93/99/94/1065939994.db2.gz BIFQEOGYVKCQDN-WMZOPIPTSA-N 0 0 465.620 2.915 20 0 JFADRN CC[C@@H]1C[C@H](C)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCNC(=O)OC(C)(C)C ZINC001293301382 1065942437 /nfs/dbraw/zinc/94/24/37/1065942437.db2.gz ZMKQVKYHQGEUFC-YESZJQIVSA-N 0 0 472.656 2.818 20 0 JFADRN CC[C@H]1C[C@H](C)CN1c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nnn(C)n1 ZINC001293302537 1065942734 /nfs/dbraw/zinc/94/27/34/1065942734.db2.gz JTBQXBFVVALHET-JSGCOSHPSA-N 0 0 461.368 2.913 20 0 JFADRN CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C(C)C ZINC001293302774 1065942961 /nfs/dbraw/zinc/94/29/61/1065942961.db2.gz ODSFDMYRWZCBPC-SJLPKXTDSA-N 0 0 475.663 2.944 20 0 JFADRN CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)NC(C)C ZINC001293303579 1065943234 /nfs/dbraw/zinc/94/32/34/1065943234.db2.gz QGDNRWNOYORGTJ-SJLPKXTDSA-N 0 0 465.620 2.915 20 0 JFADRN 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CC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCCO2)[C@H](C)C1 ZINC001286873807 1061287664 /nfs/dbraw/zinc/28/76/64/1061287664.db2.gz LCUGALUXRKHMLK-CZUORRHYSA-N 0 0 451.369 2.662 20 0 JFADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cn1 ZINC001289665552 1061287559 /nfs/dbraw/zinc/28/75/59/1061287559.db2.gz NDCUBTSNJFEKMK-ZDUSSCGKSA-N 0 0 467.393 2.657 20 0 JFADRN Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@H](C)CS(C)(=O)=O)cn1 ZINC001289665527 1061287584 /nfs/dbraw/zinc/28/75/84/1061287584.db2.gz NDCUBTSNJFEKMK-CYBMUJFWSA-N 0 0 467.393 2.657 20 0 JFADRN Cc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@@H](C)[C@H]2C)c(=O)n1C ZINC001289665721 1061287861 /nfs/dbraw/zinc/28/78/61/1061287861.db2.gz PZXRVQIMBUIDHG-SJORKVTESA-N 0 0 487.651 2.734 20 0 JFADRN COC(=O)c1cc2nc(NC(=O)CCNC(=O)c3cccs3)[nH]c2c(Br)c1 ZINC001289667736 1061288631 /nfs/dbraw/zinc/28/86/31/1061288631.db2.gz JAIVKIRKIXPHAP-UHFFFAOYSA-N 0 0 451.302 2.932 20 0 JFADRN 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ZINC001286875390 1061291778 /nfs/dbraw/zinc/29/17/78/1061291778.db2.gz XMYJTAQOFIVRCB-HNNXBMFYSA-N 0 0 450.381 2.927 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC001286875509 1061292160 /nfs/dbraw/zinc/29/21/60/1061292160.db2.gz IFWFDUSHZMFASX-QGZVFWFLSA-N 0 0 481.988 2.789 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001286875740 1061292202 /nfs/dbraw/zinc/29/22/02/1061292202.db2.gz JRRAXXKZKZKTGY-INIZCTEOSA-N 0 0 486.573 2.598 20 0 JFADRN Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)c(C)c1 ZINC001289676089 1061292400 /nfs/dbraw/zinc/29/24/00/1061292400.db2.gz XQIAQRBFDHONLG-LJQANCHMSA-N 0 0 469.615 2.508 20 0 JFADRN Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cn1 ZINC001289677193 1061293638 /nfs/dbraw/zinc/29/36/38/1061293638.db2.gz PICKSVKIGXWAKU-JXFKEZNVSA-N 0 0 468.583 2.582 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCNC(=O)C(C)C)[C@H](C)C1 ZINC001286876299 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CC(=O)Nc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)cn1 ZINC001286896039 1061377944 /nfs/dbraw/zinc/37/79/44/1061377944.db2.gz FLEBPPLVSZUDEG-HXUWFJFHSA-N 0 0 481.532 2.503 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)cc1 ZINC001286896209 1061378542 /nfs/dbraw/zinc/37/85/42/1061378542.db2.gz SJGWRQULFJLOMD-CTNGQTDRSA-N 0 0 475.615 2.582 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 ZINC001289757506 1061379576 /nfs/dbraw/zinc/37/95/76/1061379576.db2.gz SZAYZLAZNMIQNO-FQEVSTJZSA-N 0 0 461.570 2.562 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC001289758658 1061380501 /nfs/dbraw/zinc/38/05/01/1061380501.db2.gz DOQDPRZNKRQVJW-AZUAARDMSA-N 0 0 483.617 2.635 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC001289759343 1061381154 /nfs/dbraw/zinc/38/11/54/1061381154.db2.gz LIUJGJSCGVTWFO-LJQANCHMSA-N 0 0 485.633 2.822 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC(C)(C)OC(C)(C)C2)cn1 ZINC001286897045 1061381333 /nfs/dbraw/zinc/38/13/33/1061381333.db2.gz PSUNZEUOJBSQPY-UHFFFAOYSA-N 0 0 466.590 2.935 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(C(=O)NC(C)C)n2Cc2cnn(Cc3ccccc3)c2)CC1 ZINC001286897261 1061381761 /nfs/dbraw/zinc/38/17/61/1061381761.db2.gz NBOJSUWWXGCULF-UHFFFAOYSA-N 0 0 492.628 2.593 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)cc1 ZINC001289760142 1061382451 /nfs/dbraw/zinc/38/24/51/1061382451.db2.gz RWCFYXLCPWMNME-PMACEKPBSA-N 0 0 470.618 2.885 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCc2cccs2)c1 ZINC001286897771 1061383486 /nfs/dbraw/zinc/38/34/86/1061383486.db2.gz ASBZXCZOGMZNHM-SFHVURJKSA-N 0 0 473.624 2.927 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(-c3cccn3C)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC001286897781 1061383580 /nfs/dbraw/zinc/38/35/80/1061383580.db2.gz AXJFBLIJGAUYNQ-HZPDHXFCSA-N 0 0 458.588 2.548 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC001289762463 1061384511 /nfs/dbraw/zinc/38/45/11/1061384511.db2.gz HCEIRCKRHOHPIQ-HKBOAZHASA-N 0 0 491.658 2.714 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC(OCC(N)=O)CC2)cc1 ZINC001289761900 1061384552 /nfs/dbraw/zinc/38/45/52/1061384552.db2.gz CEFNRZOYTYKEDW-IBGZPJMESA-N 0 0 464.570 2.511 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC001289762466 1061384879 /nfs/dbraw/zinc/38/48/79/1061384879.db2.gz HCEIRCKRHOHPIQ-QHAWAJNXSA-N 0 0 491.658 2.714 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2Nc2ccn(C)n2)c1 ZINC001286898038 1061384906 /nfs/dbraw/zinc/38/49/06/1061384906.db2.gz WHNGIJFWBMEFIX-UHFFFAOYSA-N 0 0 450.528 2.753 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC(=O)N(C)[C@H](C)C2)cc1 ZINC001286898140 1061384923 /nfs/dbraw/zinc/38/49/23/1061384923.db2.gz RJHXZELKXFWAII-CQSZACIVSA-N 0 0 453.934 2.667 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)c1 ZINC001286898025 1061384960 /nfs/dbraw/zinc/38/49/60/1061384960.db2.gz VPNHMUBPUGWSOX-QFIPXVFZSA-N 0 0 482.610 2.674 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(-c3ccccc3F)nnc2N(C)CC(=O)NC(C)(C)C)cn1 ZINC001286898198 1061385422 /nfs/dbraw/zinc/38/54/22/1061385422.db2.gz SLWFCSLZYDNHDT-UHFFFAOYSA-N 0 0 453.522 2.837 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCS[C@H](C)C2)cc1 ZINC001289764308 1061385832 /nfs/dbraw/zinc/38/58/32/1061385832.db2.gz SUBNOBGOZIIWNE-KURKYZTESA-N 0 0 450.630 2.898 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c(Cc3cccnc3)nnc2N(C)CCS(C)(=O)=O)c1 ZINC001289766398 1061386960 /nfs/dbraw/zinc/38/69/60/1061386960.db2.gz HWMRWSIAWXATIL-UHFFFAOYSA-N 0 0 465.526 2.703 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC001289768290 1061388592 /nfs/dbraw/zinc/38/85/92/1061388592.db2.gz RBVLSULZSKHEQW-DLBZAZTESA-N 0 0 499.584 2.506 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2Cc2cc(C)ccc2OC(F)F)n1 ZINC001289768152 1061388678 /nfs/dbraw/zinc/38/86/78/1061388678.db2.gz HFWCDGXLVQYDQO-SFHVURJKSA-N 0 0 494.568 2.721 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC001286899358 1061388699 /nfs/dbraw/zinc/38/86/99/1061388699.db2.gz PAIYBMFKSYGCIS-UHFFFAOYSA-N 0 0 497.003 2.798 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC=C(Br)C2)c1 ZINC001286899434 1061388720 /nfs/dbraw/zinc/38/87/20/1061388720.db2.gz SZKSIBUQHGMQSI-MRXNPFEDSA-N 0 0 494.415 2.676 20 0 JFADRN Cc1ccc(OC2CCN(c3nnc(C(C)(C)C)n3CC3(O)CCS(=O)(=O)CC3)CC2)cc1 ZINC001289768844 1061389049 /nfs/dbraw/zinc/38/90/49/1061389049.db2.gz LRBPAQHNSQHTNK-UHFFFAOYSA-N 0 0 476.643 2.872 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)cn1 ZINC001286899696 1061389847 /nfs/dbraw/zinc/38/98/47/1061389847.db2.gz SCKSSQKHECDUAM-MQSCRBSSSA-N 0 0 497.644 2.903 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC001286899637 1061389879 /nfs/dbraw/zinc/38/98/79/1061389879.db2.gz YOKNHVCSPCUYQN-YJBOKZPZSA-N 0 0 466.508 2.862 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@H]2NC(=O)CC2(C)C)cc1C ZINC001289769578 1061390989 /nfs/dbraw/zinc/39/09/89/1061390989.db2.gz SEHZWPBCNMKWFD-QWFCFKBJSA-N 0 0 491.658 2.646 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(F)(F)F)CC1 ZINC001286900376 1061391884 /nfs/dbraw/zinc/39/18/84/1061391884.db2.gz DILHULVXZIJPMJ-UHFFFAOYSA-N 0 0 477.491 2.638 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@](C)(O)C(C)C)cc1 ZINC001289769921 1061392092 /nfs/dbraw/zinc/39/20/92/1061392092.db2.gz YGTMQDIKOLCPSD-KGVIQGDOSA-N 0 0 452.621 2.830 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(C(C)(C)C)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 ZINC001286901097 1061393744 /nfs/dbraw/zinc/39/37/44/1061393744.db2.gz ASARKIZGAGPCGA-WCHWRFHJSA-N 0 0 494.706 2.663 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCCN(C)CC(F)(F)F)cc1 ZINC001289773709 1061395008 /nfs/dbraw/zinc/39/50/08/1061395008.db2.gz FGAKFNNOQINYQJ-KRWDZBQOSA-N 0 0 489.564 2.673 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC2(S(C)(=O)=O)CCCC2)cc1 ZINC001289773667 1061395119 /nfs/dbraw/zinc/39/51/19/1061395119.db2.gz DPNCZXFBKZTWJK-UHFFFAOYSA-N 0 0 491.658 2.874 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC[S@](=O)C(C)(C)C)cc1C ZINC001289773976 1061396041 /nfs/dbraw/zinc/39/60/41/1061396041.db2.gz OTIVJGHPYIUJST-OKXSDPAFSA-N 0 0 484.688 2.890 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2coc3ccccc23)CC1 ZINC001286902318 1061397012 /nfs/dbraw/zinc/39/70/12/1061397012.db2.gz ODIOPJNJROMZHF-MNNVXMFVSA-N 0 0 488.614 2.566 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(C)(C)O)c2)CC1 ZINC001286902430 1061398025 /nfs/dbraw/zinc/39/80/25/1061398025.db2.gz ASKQSVNAMGEQRP-JSRJAPPDSA-N 0 0 455.603 2.941 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(Cl)cn2)cc1 ZINC001289775566 1061398484 /nfs/dbraw/zinc/39/84/84/1061398484.db2.gz QHTAMHOVGXWXJR-GOSISDBHSA-N 0 0 492.001 2.916 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC2=CCCOC2)CC1 ZINC001286902632 1061398470 /nfs/dbraw/zinc/39/84/70/1061398470.db2.gz QOBJYCSCNQWMQZ-VUNKPPBISA-N 0 0 461.607 2.549 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@H]2OCCC2(C)C)cc1C ZINC001289775365 1061398536 /nfs/dbraw/zinc/39/85/36/1061398536.db2.gz OWGWWVKEYCCFPC-UYAOXDASSA-N 0 0 462.616 2.912 20 0 JFADRN Cc1c(Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)CC(=O)NC(C)(C)C)cnn1C ZINC001289776338 1061399582 /nfs/dbraw/zinc/39/95/82/1061399582.db2.gz ZEBLAPDUBFWOIZ-UHFFFAOYSA-N 0 0 453.591 2.915 20 0 JFADRN Cc1c(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCO[C@@H]2C)cnn1C ZINC001289777054 1061399977 /nfs/dbraw/zinc/39/99/77/1061399977.db2.gz FIXBRDLFFYHQEV-NTKDMRAZSA-N 0 0 454.575 2.692 20 0 JFADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C(N)=O)c2ccc(Cl)cc2)ccc1Cl ZINC001289777952 1061401727 /nfs/dbraw/zinc/40/17/27/1061401727.db2.gz IZSUUHJBCQKGLB-KRWDZBQOSA-N 0 0 458.367 2.980 20 0 JFADRN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)C1 ZINC001289778625 1061402660 /nfs/dbraw/zinc/40/26/60/1061402660.db2.gz USCXARYTNCCDHI-XMSQKQJNSA-N 0 0 457.637 2.830 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CC3CC(F)(F)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1C ZINC001289781160 1061403557 /nfs/dbraw/zinc/40/35/57/1061403557.db2.gz UJJVIIFUJQFXTR-NRFANRHFSA-N 0 0 484.569 2.505 20 0 JFADRN CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCSc2ccccc2)C1 ZINC001286903831 1061403939 /nfs/dbraw/zinc/40/39/39/1061403939.db2.gz CWCPTAOJPNGGLX-SFHVURJKSA-N 0 0 465.583 2.823 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3ccc4c(c3)OCCO4)n2CCSCCCO)CC1 ZINC001286903601 1061403971 /nfs/dbraw/zinc/40/39/71/1061403971.db2.gz KYGVQRSUYGRSKG-UHFFFAOYSA-N 0 0 489.642 2.715 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3ccccc3Cl)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001286903568 1061403978 /nfs/dbraw/zinc/40/39/78/1061403978.db2.gz JHFWWSLDTSMJCT-OCJFHSIUSA-N 0 0 458.994 2.960 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@@H]3COc4ccccc4O3)n2CCOCC(F)F)CC1 ZINC001286903988 1061406832 /nfs/dbraw/zinc/40/68/32/1061406832.db2.gz NEFNSDDPXYLHFT-UHYCVJNDSA-N 0 0 479.528 2.956 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)Cc3ccsc3)n2CCN2CCCS2(=O)=O)cc1 ZINC001289783077 1061407614 /nfs/dbraw/zinc/40/76/14/1061407614.db2.gz RJOADXKIYKHNPA-UHFFFAOYSA-N 0 0 461.613 2.899 20 0 JFADRN CC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCc2c[nH]c3cccc(C)c23)C1 ZINC001286904660 1061412109 /nfs/dbraw/zinc/41/21/09/1061412109.db2.gz INYBRGHLPNPVPB-IBGZPJMESA-N 0 0 451.575 2.554 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2C[C@](C)(O)c2cccs2)cc1C ZINC001289788268 1061414454 /nfs/dbraw/zinc/41/44/54/1061414454.db2.gz STQRSQLGUDNTKW-QFIPXVFZSA-N 0 0 478.640 2.924 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CCCS(C)(=O)=O)n2Cc2cn3ccsc3n2)cc1 ZINC001289787860 1061414463 /nfs/dbraw/zinc/41/44/63/1061414463.db2.gz RONYVEKCXGWSHS-UHFFFAOYSA-N 0 0 474.612 2.794 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2C[C@@](C)(O)c2cccs2)cc1C ZINC001289788267 1061414533 /nfs/dbraw/zinc/41/45/33/1061414533.db2.gz STQRSQLGUDNTKW-JOCHJYFZSA-N 0 0 478.640 2.924 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CCCS(C)(=O)=O)n2C[C@H]2CCC3(C2)OCCO3)cc1C ZINC001289788259 1061414544 /nfs/dbraw/zinc/41/45/44/1061414544.db2.gz SNRQSWQQYLJIBO-FQEVSTJZSA-N 0 0 492.642 2.888 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(Cl)cc3)n2CCS(C)(=O)=O)CC1 ZINC001286904956 1061415370 /nfs/dbraw/zinc/41/53/70/1061415370.db2.gz XEBSBRXUMAOXNF-UHFFFAOYSA-N 0 0 453.996 2.527 20 0 JFADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@](C)(O)c2ccsc2)cc1 ZINC001289790621 1061416019 /nfs/dbraw/zinc/41/60/19/1061416019.db2.gz IOWMSXVNNRKTNZ-SBUREZEXSA-N 0 0 455.584 2.802 20 0 JFADRN CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2cccc(F)c2)C1 ZINC001286905442 1061418165 /nfs/dbraw/zinc/41/81/65/1061418165.db2.gz QCHDBSHPEDINID-FQEVSTJZSA-N 0 0 465.533 2.802 20 0 JFADRN Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@@]4(CCO[C@@H]4C)C3)n2CCC(=O)NC(C)C)cc1 ZINC001289791422 1061419646 /nfs/dbraw/zinc/41/96/46/1061419646.db2.gz FZHGLSUSMXLUML-DFIYOIEZSA-N 0 0 471.602 2.853 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(COc3ccc(C)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001286905592 1061420402 /nfs/dbraw/zinc/42/04/02/1061420402.db2.gz UFKZFSMRBSCZLA-FGJIOPLASA-N 0 0 468.602 2.527 20 0 JFADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cnnn2C)cc1 ZINC001289791636 1061420559 /nfs/dbraw/zinc/42/05/59/1061420559.db2.gz OUBWNGLTWONYOI-XLIONFOSSA-N 0 0 482.589 2.692 20 0 JFADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC2(C(N)=O)CCOCC2)cc1C ZINC001289791874 1061421463 /nfs/dbraw/zinc/42/14/63/1061421463.db2.gz JBEPCSMEUVZOCX-LJQANCHMSA-N 0 0 471.602 2.760 20 0 JFADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2Cc2ncccc2N(C)C)cc1C ZINC001289791730 1061421531 /nfs/dbraw/zinc/42/15/31/1061421531.db2.gz PSYZLMVVGJQTTC-IBGZPJMESA-N 0 0 463.586 2.650 20 0 JFADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2COCCO2)cc1 ZINC001289791690 1061421560 /nfs/dbraw/zinc/42/15/60/1061421560.db2.gz POVOGMBUYQMRSP-NRSPTQNISA-N 0 0 487.601 2.930 20 0 JFADRN Cc1ccc(OCc2nnc(N3CC(=O)N[C@@H]4CCCC[C@@H]43)n2CCCCCS(C)(=O)=O)cc1 ZINC001289791981 1061422358 /nfs/dbraw/zinc/42/23/58/1061422358.db2.gz QPRICDJZVIINTF-RTWAWAEBSA-N 0 0 489.642 2.628 20 0 JFADRN CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCSC2)C1 ZINC001286905990 1061422401 /nfs/dbraw/zinc/42/24/01/1061422401.db2.gz BXJSGNWYPLBQOM-MGPUTAFESA-N 0 0 453.971 2.711 20 0 JFADRN Cc1ccc(OCc2nnc(N3CC(=O)N[C@@H]4CCCC[C@H]43)n2CCSCCCO)cc1 ZINC001289792429 1061424518 /nfs/dbraw/zinc/42/45/18/1061424518.db2.gz UNOBJVNIHXXSTD-WOJBJXKFSA-N 0 0 459.616 2.529 20 0 JFADRN CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCSCC(C)C)C1 ZINC001286906418 1061427656 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CC(=O)NC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OCC(F)(F)F)cc2)CCO1 ZINC001286945160 1061620387 /nfs/dbraw/zinc/62/03/87/1061620387.db2.gz VSIYYJYIEFUOLK-VQTJNVASSA-N 0 0 497.518 2.850 20 0 JFADRN CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC001294136691 1061620578 /nfs/dbraw/zinc/62/05/78/1061620578.db2.gz IMKFPMKNPRPRJC-LEWJYISDSA-N 0 0 477.631 2.688 20 0 JFADRN CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 ZINC001294137589 1061621709 /nfs/dbraw/zinc/62/17/09/1061621709.db2.gz NKRDXYJGQCEXBG-FHWLQOOXSA-N 0 0 469.652 2.585 20 0 JFADRN CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)c2ccccc2)CC1 ZINC001294137350 1061621743 /nfs/dbraw/zinc/62/17/43/1061621743.db2.gz MECPVDMNFLDDJC-NRFANRHFSA-N 0 0 489.642 2.901 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@H](c2cccs2)N(C)C)n1 ZINC001289931312 1061622303 /nfs/dbraw/zinc/62/23/03/1061622303.db2.gz HNEWBRUJGURYAM-SFHVURJKSA-N 0 0 462.645 2.884 20 0 JFADRN CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001294138389 1061622893 /nfs/dbraw/zinc/62/28/93/1061622893.db2.gz QOPWKCMSLDFNNY-KDOFPFPSSA-N 0 0 452.543 2.900 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(CCc3ccccc3)n2Cc2ccc(OC(C)C)nc2)CCO1 ZINC001286945322 1061623604 /nfs/dbraw/zinc/62/36/04/1061623604.db2.gz LMWQOBGTRHXSEK-HSZRJFAPSA-N 0 0 478.597 2.635 20 0 JFADRN CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001294138462 1061623779 /nfs/dbraw/zinc/62/37/79/1061623779.db2.gz RRIJYFNFGNAVHI-IRXDYDNUSA-N 0 0 455.625 2.816 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[S@@](=O)C(C)(C)C)CCO1 ZINC001286945577 1061625868 /nfs/dbraw/zinc/62/58/68/1061625868.db2.gz HNTDHOVMVSIXTR-DUTUXMCTSA-N 0 0 493.699 2.767 20 0 JFADRN CC(=O)NCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001286945836 1061625936 /nfs/dbraw/zinc/62/59/36/1061625936.db2.gz JJWNBBNFSOFOHZ-OAHLLOKOSA-N 0 0 454.506 2.747 20 0 JFADRN CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001294139633 1061626285 /nfs/dbraw/zinc/62/62/85/1061626285.db2.gz RNBWTBSFXDKATJ-GOSISDBHSA-N 0 0 484.667 2.664 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(C)CC2)CCO1 ZINC001286945817 1061628009 /nfs/dbraw/zinc/62/80/09/1061628009.db2.gz YBCIUYGXMMYUSH-RTBURBONSA-N 0 0 476.622 2.534 20 0 JFADRN CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@H](c2ccc(F)cc2F)C2CC2)C1 ZINC001294140681 1061628261 /nfs/dbraw/zinc/62/82/61/1061628261.db2.gz SABANQYVXPHQCM-KXBFYZLASA-N 0 0 458.527 2.956 20 0 JFADRN Cc1cccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2CC2CN(C(=O)OC(C)(C)C)C2)n1 ZINC001289938111 1061629019 /nfs/dbraw/zinc/62/90/19/1061629019.db2.gz JCTPYLDCZAZGLZ-UHFFFAOYSA-N 0 0 490.630 2.529 20 0 JFADRN Cc1cccc(-c2nnc(N(CCO)CCc3ccccc3)n2CCC2(O)CCOCC2)n1 ZINC001289938141 1061629039 /nfs/dbraw/zinc/62/90/39/1061629039.db2.gz KABQCLTYVBFMRI-UHFFFAOYSA-N 0 0 451.571 2.622 20 0 JFADRN 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Cc1cccc(OCc2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2C[C@H]2CCC(=O)N2)c1 ZINC001290060579 1061781440 /nfs/dbraw/zinc/78/14/40/1061781440.db2.gz YTZBBSRFLBXLGZ-VGSWGCGISA-N 0 0 481.519 2.974 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001286976184 1061782002 /nfs/dbraw/zinc/78/20/02/1061782002.db2.gz BJUUIUJGRNYOIH-UHFFFAOYSA-N 0 0 493.649 2.916 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001290062390 1061783337 /nfs/dbraw/zinc/78/33/37/1061783337.db2.gz GYGSAEVLLWFHFJ-JPQMRUPTSA-N 0 0 494.683 2.728 20 0 JFADRN CCCCn1c(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294296589 1061783747 /nfs/dbraw/zinc/78/37/47/1061783747.db2.gz MZKLDTAWINHURO-CPJSRVTESA-N 0 0 476.666 2.688 20 0 JFADRN CCCCn1cc(Cn2c(-c3cccc(OC)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)c(C)n1 ZINC001294296682 1061783838 /nfs/dbraw/zinc/78/38/38/1061783838.db2.gz VSVGFENXHFHQCY-NRFANRHFSA-N 0 0 472.615 2.930 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC4(CC3)NC(=O)N(C)C4=O)n2CCSC(F)(F)F)c1 ZINC001290062905 1061786124 /nfs/dbraw/zinc/78/61/24/1061786124.db2.gz PUVQYDNNZQOYCQ-UHFFFAOYSA-N 0 0 498.531 2.939 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC4(COC(=O)N4)CC3)n2CCC(=O)NC(C)(C)C)c1 ZINC001290062759 1061786251 /nfs/dbraw/zinc/78/62/51/1061786251.db2.gz OSRVFAFAMQLTOB-UHFFFAOYSA-N 0 0 470.574 2.549 20 0 JFADRN CCCCn1cc(Cn2c([C@@H]3COc4ccccc4O3)nnc2N(C)C[C@H](C)C(=O)NC)c(C)n1 ZINC001294297805 1061786728 /nfs/dbraw/zinc/78/67/28/1061786728.db2.gz HTJUELJOGMLNPZ-JTSKRJEESA-N 0 0 481.601 2.962 20 0 JFADRN CCCCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)CC[C@H]2C)c(C)n1 ZINC001294297864 1061786741 /nfs/dbraw/zinc/78/67/41/1061786741.db2.gz IKPWIGWUQYQYSW-UEXGIBASSA-N 0 0 493.678 2.589 20 0 JFADRN CCCCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CC(F)C2)c(C)n1 ZINC001294298810 1061787131 /nfs/dbraw/zinc/78/71/31/1061787131.db2.gz MPMQRQHGCGTWJF-HFCFLWKCSA-N 0 0 452.600 2.718 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1nccn1C(F)F ZINC001286976982 1061788506 /nfs/dbraw/zinc/78/85/06/1061788506.db2.gz QEZONMAILALUFY-CKEIUWERSA-N 0 0 496.540 2.688 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1Cc1cccc(N2CCCC2=O)c1 ZINC001286977034 1061788750 /nfs/dbraw/zinc/78/87/50/1061788750.db2.gz KSTJBWLKEKZERR-FUHIMQAGSA-N 0 0 475.615 2.563 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CC(=O)N(C)C)c1 ZINC001290064193 1061788901 /nfs/dbraw/zinc/78/89/01/1061788901.db2.gz APQLXDHYKYPFHB-QGZVFWFLSA-N 0 0 455.481 2.801 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc([C@H]2CCCO2)n1Cc1cccc(N2CCCC2=O)c1)S(C)(=O)=O ZINC001286977040 1061788902 /nfs/dbraw/zinc/78/89/02/1061788902.db2.gz KSTJBWLKEKZERR-SQGPQFPESA-N 0 0 475.615 2.563 20 0 JFADRN O=C(c1c[nH]nc1[C@H]1CCCO1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC001290064942 1061789618 /nfs/dbraw/zinc/78/96/18/1061789618.db2.gz MQNJDRFZFGRRMX-CQSZACIVSA-N 0 0 459.355 2.715 20 0 JFADRN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3C[C@@H](CC)N(C(C)=O)C[C@H]3CC)cc(C3CC3)nc21 ZINC001294302345 1061789746 /nfs/dbraw/zinc/78/97/46/1061789746.db2.gz RZPLVIAKJPAPNX-IAGOWNOFSA-N 0 0 455.559 2.646 20 0 JFADRN CCCCn1cc(Cn2c(Cc3ccncc3)nnc2N(C)CC(=O)NC(C)(C)C)c(C)n1 ZINC001294303492 1061790343 /nfs/dbraw/zinc/79/03/43/1061790343.db2.gz AGCQEYKGIBPDDK-UHFFFAOYSA-N 0 0 452.607 2.968 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2C[C@@H]2COCCO2)c1 ZINC001290066672 1061790873 /nfs/dbraw/zinc/79/08/73/1061790873.db2.gz ORYLDSSUWUASRL-IFMALSPDSA-N 0 0 485.629 2.960 20 0 JFADRN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC001294303618 1061790888 /nfs/dbraw/zinc/79/08/88/1061790888.db2.gz IYTJMKBNUMXBOR-ATLPNUFFSA-N 0 0 455.580 2.803 20 0 JFADRN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC001294303619 1061790914 /nfs/dbraw/zinc/79/09/14/1061790914.db2.gz IYTJMKBNUMXBOR-FHNJEREPSA-N 0 0 455.580 2.803 20 0 JFADRN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC001294303621 1061790936 /nfs/dbraw/zinc/79/09/36/1061790936.db2.gz IYTJMKBNUMXBOR-PFHGDWGLSA-N 0 0 455.580 2.803 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC(=O)NCC(F)(F)F)c1 ZINC001290066859 1061791382 /nfs/dbraw/zinc/79/13/82/1061791382.db2.gz QECKWOWGTRALRV-QGZVFWFLSA-N 0 0 496.534 2.585 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CCOCC1 ZINC001286977553 1061791480 /nfs/dbraw/zinc/79/14/80/1061791480.db2.gz NNKWUXIAFCOTMK-UKBAYJJMSA-N 0 0 456.653 2.881 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2Cc2ccc(N(C)C)nc2)c1 ZINC001290066878 1061791478 /nfs/dbraw/zinc/79/14/78/1061791478.db2.gz QNTAWYNBEKDLSJ-LJQANCHMSA-N 0 0 463.586 2.767 20 0 JFADRN CCCCn1cc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c(C)n1 ZINC001294304256 1061791700 /nfs/dbraw/zinc/79/17/00/1061791700.db2.gz NGMSKVNLQJBVJD-CRAIPNDOSA-N 0 0 483.539 2.910 20 0 JFADRN CCCCn1cc(Cn2c(CC(C)(C)C)nnc2N2CCCN(S(C)(=O)=O)CC2)c(C)n1 ZINC001294304546 1061791841 /nfs/dbraw/zinc/79/18/41/1061791841.db2.gz QCNZAPXIPNVJNB-UHFFFAOYSA-N 0 0 465.668 2.692 20 0 JFADRN CCCCn1cc(Cn2c(CN3CCCC3=O)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)c(C)n1 ZINC001294304259 1061791864 /nfs/dbraw/zinc/79/18/64/1061791864.db2.gz NGMSKVNLQJBVJD-YJBOKZPZSA-N 0 0 483.539 2.910 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1C[C@H](c1ccccc1)N(C)C ZINC001286977639 1061791856 /nfs/dbraw/zinc/79/18/56/1061791856.db2.gz IACVDTPIZHSVIX-DBXWQHBBSA-N 0 0 456.616 2.901 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CCC(=O)N(C)C)c1 ZINC001290067042 1061792015 /nfs/dbraw/zinc/79/20/15/1061792015.db2.gz UPQCJLBXYOGIPI-FQEVSTJZSA-N 0 0 470.618 2.632 20 0 JFADRN Cc1noc(CCCn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)n1 ZINC001290067115 1061792064 /nfs/dbraw/zinc/79/20/64/1061792064.db2.gz VWTVWJFYUNJXER-SFHVURJKSA-N 0 0 453.547 2.582 20 0 JFADRN CCCCn1cc(Cn2c(Cc3ccccn3)nnc2N2CC[C@@](C)(C(=O)NC)C2)c(C)n1 ZINC001294305641 1061792877 /nfs/dbraw/zinc/79/28/77/1061792877.db2.gz YJELUMNLZKUFRA-XMMPIXPASA-N 0 0 450.591 2.580 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1=CCCOC1)S(C)(=O)=O ZINC001286977735 1061793891 /nfs/dbraw/zinc/79/38/91/1061793891.db2.gz GLSLMINNKZASGG-ZWKOTPCHSA-N 0 0 470.599 2.735 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1CCCc1nc2c(s1)CCCC2 ZINC001286977792 1061794390 /nfs/dbraw/zinc/79/43/90/1061794390.db2.gz GRKSVGDFCUHQFZ-HOTGVXAUSA-N 0 0 491.687 2.905 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)c2ccsc2)CC1 ZINC001286978014 1061794793 /nfs/dbraw/zinc/79/47/93/1061794793.db2.gz QIVVYAHZUWADRM-HXOBKFHXSA-N 0 0 461.632 2.836 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(c4cccs4)CC3)n2CCCS(C)(=O)=O)c1 ZINC001290070465 1061795983 /nfs/dbraw/zinc/79/59/83/1061795983.db2.gz DEDFOQKMFRKLKC-UHFFFAOYSA-N 0 0 475.640 2.988 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC(=O)N(C)C2CCCCC2)c1 ZINC001290070771 1061796366 /nfs/dbraw/zinc/79/63/66/1061796366.db2.gz FDVRXSKJRJHLGL-LJQANCHMSA-N 0 0 468.602 2.624 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 ZINC001286978303 1061797541 /nfs/dbraw/zinc/79/75/41/1061797541.db2.gz QBGQHBLQZJZHAH-BQFCYCMXSA-N 0 0 495.650 2.574 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2CC2(O)CCOCC2)c1 ZINC001290071537 1061797900 /nfs/dbraw/zinc/79/79/00/1061797900.db2.gz OGABNGYLYHZXSF-UHFFFAOYSA-N 0 0 487.601 2.622 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@@]2(C)COCCO2)c1 ZINC001290071588 1061798509 /nfs/dbraw/zinc/79/85/09/1061798509.db2.gz PETNHQPJDMSGIR-VWLOTQADSA-N 0 0 486.617 2.601 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@]2(C)COCCO2)c1 ZINC001290071587 1061798691 /nfs/dbraw/zinc/79/86/91/1061798691.db2.gz PETNHQPJDMSGIR-RUZDIDTESA-N 0 0 486.617 2.601 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 ZINC001286978514 1061798815 /nfs/dbraw/zinc/79/88/15/1061798815.db2.gz HISKGBBXXFTTQU-HOTGVXAUSA-N 0 0 493.655 2.652 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCN(C)C(=O)OC(C)(C)C)c1 ZINC001290071763 1061799304 /nfs/dbraw/zinc/79/93/04/1061799304.db2.gz SNAYFTWHZMPSBK-SFHVURJKSA-N 0 0 472.590 2.699 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CC2(S(C)(=O)=O)CC2)c1 ZINC001290071855 1061799743 /nfs/dbraw/zinc/79/97/43/1061799743.db2.gz VMCXCGUMVKTRDU-UHFFFAOYSA-N 0 0 461.632 2.663 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1Cc1cccnc1-n1cccn1 ZINC001286978622 1061799896 /nfs/dbraw/zinc/79/98/96/1061799896.db2.gz WFYXXUCMHXNYGS-SJORKVTESA-N 0 0 485.639 2.817 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1Cc1cccnc1-n1cccn1 ZINC001286978620 1061800246 /nfs/dbraw/zinc/80/02/46/1061800246.db2.gz WFYXXUCMHXNYGS-IRXDYDNUSA-N 0 0 485.639 2.817 20 0 JFADRN 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RTKBBJHRYJIQJC-UHFFFAOYSA-N 0 0 474.587 2.502 20 0 JFADRN CC(C)(C)Cc1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1Cc1nccn1C(F)F ZINC001287032203 1061986673 /nfs/dbraw/zinc/98/66/73/1061986673.db2.gz KJAKXZNJPKTZSM-UHFFFAOYSA-N 0 0 458.517 2.864 20 0 JFADRN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)cc1 ZINC001290248845 1061987481 /nfs/dbraw/zinc/98/74/81/1061987481.db2.gz OVXYDNJTLCYDFD-HSZRJFAPSA-N 0 0 459.612 2.531 20 0 JFADRN Cc1ccc(CCC(=O)NCC(=O)NCc2csc(CNC(=O)c3ccccc3)n2)cc1 ZINC001294431448 1061987574 /nfs/dbraw/zinc/98/75/74/1061987574.db2.gz KHUADUNFKJPRNJ-UHFFFAOYSA-N 0 0 450.564 2.747 20 0 JFADRN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@@H](CC(N)=O)C3)c2)cc1 ZINC001294431224 1061987748 /nfs/dbraw/zinc/98/77/48/1061987748.db2.gz GYYVPTLWOSSMET-KRWDZBQOSA-N 0 0 459.568 2.922 20 0 JFADRN CC(C)(C)Cc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1CCCCCS(C)(=O)=O ZINC001287032545 1061987918 /nfs/dbraw/zinc/98/79/18/1061987918.db2.gz PJTNFAPXRSHESF-UHFFFAOYSA-N 0 0 491.658 2.750 20 0 JFADRN 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Cc1cnn([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)N3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC001290270843 1062000400 /nfs/dbraw/zinc/00/04/00/1062000400.db2.gz DVSAMBFPOMPLBI-QHAWAJNXSA-N 0 0 486.665 2.651 20 0 JFADRN CC(C)(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001287035245 1062000481 /nfs/dbraw/zinc/00/04/81/1062000481.db2.gz BLJLKPINJOOPRH-PXNSSMCTSA-N 0 0 479.622 2.865 20 0 JFADRN CC(C)(C)Cc1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001287035027 1062000507 /nfs/dbraw/zinc/00/05/07/1062000507.db2.gz FYSUQTVLBZBFBS-IERDGZPVSA-N 0 0 488.555 2.551 20 0 JFADRN Cc1cnn([C@H]2CCCN(c3nnc(Cn4nc(C)cc4C)n3CCCCCS(C)(=O)=O)C2)c1 ZINC001290270981 1062000721 /nfs/dbraw/zinc/00/07/21/1062000721.db2.gz CZUNBYRIQRBFCW-NRFANRHFSA-N 0 0 488.662 2.701 20 0 JFADRN CC(C)(C)Cc1nnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1CCSC(F)(F)F ZINC001287036670 1062002799 /nfs/dbraw/zinc/00/27/99/1062002799.db2.gz XXTYBLSCLAHIFC-UHFFFAOYSA-N 0 0 496.581 2.760 20 0 JFADRN 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CCCNC(=O)c1cccc(Cn2c(-c3ccccn3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)c1 ZINC001294778899 1062380977 /nfs/dbraw/zinc/38/09/77/1062380977.db2.gz XFRKZMGFZSHTGZ-WIYYLYMNSA-N 0 0 464.570 2.768 20 0 JFADRN Cc1cc(C)n(-c2ccc(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N(C)C[C@@H]3CC=CCC3)cn2)n1 ZINC001290577177 1062381028 /nfs/dbraw/zinc/38/10/28/1062381028.db2.gz LEWYMCZOOIYVQG-VQTJNVASSA-N 0 0 498.657 2.927 20 0 JFADRN CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)N2CCOCC2)C1 ZINC001287124531 1062382526 /nfs/dbraw/zinc/38/25/26/1062382526.db2.gz IPNCVVODHIAQNI-CTNGQTDRSA-N 0 0 474.675 2.640 20 0 JFADRN CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H]2CC(F)(F)CO2)C1 ZINC001287124649 1062382995 /nfs/dbraw/zinc/38/29/95/1062382995.db2.gz VKMDCIXZVVYFHG-IAGOWNOFSA-N 0 0 450.534 2.696 20 0 JFADRN CCCNC(=O)c1cccc(Cn2c(N3CCN(c4cnn(C)c4)CC3)nnc2C(C)(C)C)c1 ZINC001294780402 1062383130 /nfs/dbraw/zinc/38/31/30/1062383130.db2.gz KHTCADYWMKUJIO-UHFFFAOYSA-N 0 0 464.618 2.824 20 0 JFADRN 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Cc1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1CCCCn1cc(Br)cn1 ZINC001290884327 1062765128 /nfs/dbraw/zinc/76/51/28/1062765128.db2.gz OYFBPUQYCJSCKQ-IBGZPJMESA-N 0 0 463.384 2.511 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)CCO1 ZINC001287292719 1062766216 /nfs/dbraw/zinc/76/62/16/1062766216.db2.gz STQHAHCNLKJEEZ-FQEVSTJZSA-N 0 0 454.962 2.926 20 0 JFADRN CCCOc1ncccc1Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001294981903 1062766272 /nfs/dbraw/zinc/76/62/72/1062766272.db2.gz VQUQYWUYBUAQIG-LJQANCHMSA-N 0 0 451.575 2.868 20 0 JFADRN CCCOc1ncccc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001294982756 1062767453 /nfs/dbraw/zinc/76/74/53/1062767453.db2.gz AUEMPHQKYLXGNF-SFHVURJKSA-N 0 0 478.663 2.864 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC(F)(F)CO2)CCO1 ZINC001287295720 1062767974 /nfs/dbraw/zinc/76/79/74/1062767974.db2.gz JDEVLHOEJISZMZ-HUUCEWRRSA-N 0 0 455.531 2.555 20 0 JFADRN CCCOc1ncccc1Cn1c(CC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 ZINC001294983085 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CCN(C[C@H]1CCN(c2nnc(-c3cccnc3)n2CC(=O)NC(C)C)C1)CC(F)(F)F ZINC001295763842 1063770485 /nfs/dbraw/zinc/77/04/85/1063770485.db2.gz QGDVQMIYGAAAKG-MRXNPFEDSA-N 0 0 453.513 2.575 20 0 JFADRN C[C@H]1OCC[C@@]1(O)Cn1c(Cc2cccnc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001291323978 1063770891 /nfs/dbraw/zinc/77/08/91/1063770891.db2.gz QVPZTNHAKLTLIR-IQGLISFBSA-N 0 0 486.617 2.687 20 0 JFADRN C[C@H]1OCC[C@@]1(O)Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001291324070 1063771525 /nfs/dbraw/zinc/77/15/25/1063771525.db2.gz RVAZJXFDADUYPK-IQGLISFBSA-N 0 0 455.603 2.805 20 0 JFADRN C[C@H]1OCC[C@]1(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001291324010 1063771584 /nfs/dbraw/zinc/77/15/84/1063771584.db2.gz RHDZMWPKRPKCBO-YJYMSZOUSA-N 0 0 476.446 2.581 20 0 JFADRN CCN(C[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2COCCO2)C1)CC(F)(F)F ZINC001295764385 1063771571 /nfs/dbraw/zinc/77/15/71/1063771571.db2.gz ZXBUSVSNHOGGTN-OKZBNKHCSA-N 0 0 461.529 2.646 20 0 JFADRN C[C@H]1OCC[C@@]1(O)Cn1c(Cc2cccnc2)nnc1N(C)CCOc1ccc(Cl)cc1 ZINC001291324726 1063772384 /nfs/dbraw/zinc/77/23/84/1063772384.db2.gz ZQVPUDHEPABJKN-UZUQRXQVSA-N 0 0 457.962 2.972 20 0 JFADRN C[C@H]1OCC[C@]12CN(c1nnc(-c3ccccn3)n1CCCN(C)CC(F)(F)F)CCO2 ZINC001291324770 1063772458 /nfs/dbraw/zinc/77/24/58/1063772458.db2.gz AFLNNMBNHDQGKD-UZLBHIALSA-N 0 0 454.497 2.609 20 0 JFADRN CCN(C[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2ccco2)C1)CC(F)(F)F ZINC001295766121 1063773672 /nfs/dbraw/zinc/77/36/72/1063773672.db2.gz IQDGODDMZVPWCN-IAGOWNOFSA-N 0 0 484.523 2.863 20 0 JFADRN C[C@@H]1OCC[C@@]1(O)Cn1c(Nc2cnn(C)c2)nnc1-c1ccc(F)cc1Br ZINC001291325000 1063773697 /nfs/dbraw/zinc/77/36/97/1063773697.db2.gz CZUFSOKSVSIWRZ-BBATYDOGSA-N 0 0 451.300 2.864 20 0 JFADRN C[C@H]1OCC[C@@]1(O)Cn1c(Nc2cnn(C)c2)nnc1-c1ccc(F)cc1Br ZINC001291324999 1063773738 /nfs/dbraw/zinc/77/37/38/1063773738.db2.gz CZUFSOKSVSIWRZ-ADLMAVQZSA-N 0 0 451.300 2.864 20 0 JFADRN C[C@@H]1OCC[C@]12CN(c1nnc(Cc3ccc(F)cc3)n1CC[S@@](=O)C(C)(C)C)CCO2 ZINC001291325435 1063775327 /nfs/dbraw/zinc/77/53/27/1063775327.db2.gz JCYKYNXXYHHYDU-PJCSWEQPSA-N 0 0 464.607 2.939 20 0 JFADRN C[C@@H]1OCC[C@@]12CN(c1nnc([C@@H]3CCCOC3)n1CC(F)(F)Br)CCO2 ZINC001291325442 1063775736 /nfs/dbraw/zinc/77/57/36/1063775736.db2.gz JEWHGFINEMWOBE-WOSRLPQWSA-N 0 0 451.312 2.544 20 0 JFADRN C[C@H]1OCC[C@@]12CN(c1nnc(Cc3ccccn3)n1CCCNC(=O)OC(C)(C)C)CCO2 ZINC001291325461 1063775748 /nfs/dbraw/zinc/77/57/48/1063775748.db2.gz JKNYGDSIZCOXKR-HOYKHHGWSA-N 0 0 472.590 2.563 20 0 JFADRN CCN(C[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H]2COCCO2)C1)CC(F)(F)F ZINC001295767011 1063775821 /nfs/dbraw/zinc/77/58/21/1063775821.db2.gz ONCZBSRAYHWACB-WOJBJXKFSA-N 0 0 499.582 2.656 20 0 JFADRN CCN(C[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCS(=O)(=O)C2)C1)CC(F)(F)F ZINC001295767212 1063776257 /nfs/dbraw/zinc/77/62/57/1063776257.db2.gz PJZKRZFTDHWMMJ-FGTMMUONSA-N 0 0 493.596 2.665 20 0 JFADRN C[C@@H]1OCC[C@]12CN(c1nnc(C(C)(C)C)n1CC[C@H](N1CCOCC1)C(F)(F)F)CCO2 ZINC001291325534 1063776427 /nfs/dbraw/zinc/77/64/27/1063776427.db2.gz KGZIVAIHMAFULU-FIKGOQFSSA-N 0 0 475.556 2.613 20 0 JFADRN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCCOc3cc(F)ccc32)C1 ZINC001295768635 1063778288 /nfs/dbraw/zinc/77/82/88/1063778288.db2.gz LBBKKSHMLRRDMG-YJBOKZPZSA-N 0 0 450.536 2.596 20 0 JFADRN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCOc3cc(F)ccc32)C1 ZINC001295768633 1063778361 /nfs/dbraw/zinc/77/83/61/1063778361.db2.gz LBBKKSHMLRRDMG-MAUKXSAKSA-N 0 0 450.536 2.596 20 0 JFADRN CCN(C[C@@H]1COc2ccccc2O1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1sccc1C ZINC001295768919 1063778885 /nfs/dbraw/zinc/77/88/85/1063778885.db2.gz YLPVYSYLOBLQTB-IAGOWNOFSA-N 0 0 491.639 2.973 20 0 JFADRN Cc1nc([C@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)c2ccc(Cl)cc2)no1 ZINC001295768715 1063778927 /nfs/dbraw/zinc/77/89/27/1063778927.db2.gz VTDZZXFMRXNQFM-LJQANCHMSA-N 0 0 450.886 2.933 20 0 JFADRN C[C@H]1OCC[C@@]12CN(c1nnc(-c3ccc(Br)cc3)n1CCCC(=O)N(C)C)CCO2 ZINC001291326263 1063779366 /nfs/dbraw/zinc/77/93/66/1063779366.db2.gz UEXFDRZYYAMRFB-OPAMFIHVSA-N 0 0 492.418 2.960 20 0 JFADRN CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001295771018 1063779562 /nfs/dbraw/zinc/77/95/62/1063779562.db2.gz BWLQCJSEVWPKNR-RBUKOAKNSA-N 0 0 480.535 2.561 20 0 JFADRN C[C@@H]1OCC[C@@]12CN(c1nnc(COc3ccccc3F)n1CC[S@@](=O)C(C)(C)C)CCO2 ZINC001291326483 1063780511 /nfs/dbraw/zinc/78/05/11/1063780511.db2.gz WSXMEKDNERPRKF-UQENIZNOSA-N 0 0 480.606 2.928 20 0 JFADRN C[C@@H]1OCC[C@@]1(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001291326658 1063780901 /nfs/dbraw/zinc/78/09/01/1063780901.db2.gz YOXIKIMAMQVMQB-KQFNAULVSA-N 0 0 493.649 2.840 20 0 JFADRN C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC001295772873 1063781047 /nfs/dbraw/zinc/78/10/47/1063781047.db2.gz QZZIQMNCZRDKQG-OAHLLOKOSA-N 0 0 451.545 2.791 20 0 JFADRN CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001295772889 1063781091 /nfs/dbraw/zinc/78/10/91/1063781091.db2.gz ADFCAJKGYOEVKB-LJQANCHMSA-N 0 0 482.551 2.748 20 0 JFADRN C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC001295772862 1063781162 /nfs/dbraw/zinc/78/11/62/1063781162.db2.gz QWJUWGCAKKZNAE-CZUORRHYSA-N 0 0 452.939 2.965 20 0 JFADRN C[C@H]1SCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2(O)CCOCC2)[C@H]1C ZINC001291327977 1063782985 /nfs/dbraw/zinc/78/29/85/1063782985.db2.gz PVVUQBQRXGCSLN-DLBZAZTESA-N 0 0 480.656 2.610 20 0 JFADRN CCN(C[C@H]1COc2ccccc2O1)c1nnc(-c2cnn(C)c2)n1CCN(C)CC(F)(F)F ZINC001295773940 1063783051 /nfs/dbraw/zinc/78/30/51/1063783051.db2.gz HCJZSBYEKNHKIB-KRWDZBQOSA-N 0 0 479.507 2.839 20 0 JFADRN CCN(CCc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001295774607 1063783551 /nfs/dbraw/zinc/78/35/51/1063783551.db2.gz KQKSACOOXTUJDD-XZDHIHRUSA-N 0 0 491.658 2.686 20 0 JFADRN C[C@H]1SCCN(c2nnc(-c3cn(C)c4ccccc34)n2CCS(=O)(=O)N(C)C)[C@H]1C ZINC001291329382 1063783954 /nfs/dbraw/zinc/78/39/54/1063783954.db2.gz JRTGVKATZSAUIA-JKSUJKDBSA-N 0 0 462.645 2.658 20 0 JFADRN CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1Cc1cccc(N2CCOCC2)n1 ZINC001295775468 1063783962 /nfs/dbraw/zinc/78/39/62/1063783962.db2.gz RWIZHJFWJSJETJ-UHFFFAOYSA-N 0 0 477.613 2.765 20 0 JFADRN C[C@@H]1[C@H](C)SCCN1c1nnc(-c2cnn(C)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001291329499 1063783986 /nfs/dbraw/zinc/78/39/86/1063783986.db2.gz LDMBHYKQWBHYLZ-HLLBOEOZSA-N 0 0 473.569 2.662 20 0 JFADRN C[C@H]1SCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(=O)NCC(F)(F)F)[C@H]1C ZINC001291330080 1063784379 /nfs/dbraw/zinc/78/43/79/1063784379.db2.gz RMRHNYRTLVBQKC-NWDGAFQWSA-N 0 0 481.504 2.603 20 0 JFADRN C[C@@H]1SCCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)[C@H]1C ZINC001291329501 1063784393 /nfs/dbraw/zinc/78/43/93/1063784393.db2.gz LDMBHYKQWBHYLZ-YQQAZPJKSA-N 0 0 473.569 2.662 20 0 JFADRN CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCCCO1 ZINC001295776016 1063784844 /nfs/dbraw/zinc/78/48/44/1063784844.db2.gz DTVGGDQLMJKQSL-FGZHOGPDSA-N 0 0 491.658 2.639 20 0 JFADRN C[C@@H]1[C@H](C)SCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C(C)(C)C)no1 ZINC001291331147 1063786308 /nfs/dbraw/zinc/78/63/08/1063786308.db2.gz FNGYXYZUTOHNRK-ILXRZTDVSA-N 0 0 453.634 2.844 20 0 JFADRN CCN(CCc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(N2CCOCC2)CCSC1 ZINC001295782584 1063786588 /nfs/dbraw/zinc/78/65/88/1063786588.db2.gz QBZWGXDQAHOXLP-QHCPKHFHSA-N 0 0 492.715 2.755 20 0 JFADRN CCN(CCc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@]1(N2CCOCC2)CCSC1 ZINC001295782583 1063786651 /nfs/dbraw/zinc/78/66/51/1063786651.db2.gz QBZWGXDQAHOXLP-HSZRJFAPSA-N 0 0 492.715 2.755 20 0 JFADRN C[C@@H]1[C@H](C)SCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 ZINC001291331579 1063787670 /nfs/dbraw/zinc/78/76/70/1063787670.db2.gz LSOJKOQCSLSJCH-ILXRZTDVSA-N 0 0 472.036 2.638 20 0 JFADRN CCN(CCc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H](C)C1 ZINC001295787665 1063788857 /nfs/dbraw/zinc/78/88/57/1063788857.db2.gz OHNOUFKOTSTXCX-BJLQDIEVSA-N 0 0 497.687 2.557 20 0 JFADRN CCN(CCc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC ZINC001295787610 1063788880 /nfs/dbraw/zinc/78/88/80/1063788880.db2.gz NSZRESMCKKGUDR-QGZVFWFLSA-N 0 0 487.717 2.883 20 0 JFADRN CCN(CCc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001295787668 1063788896 /nfs/dbraw/zinc/78/88/96/1063788896.db2.gz OHNOUFKOTSTXCX-GGPKGHCWSA-N 0 0 497.687 2.557 20 0 JFADRN C[C@@H]1SCCN(c2nnc(CCOc3ccccc3)n2CC2(S(C)(=O)=O)CC2)[C@H]1C ZINC001291333105 1063789099 /nfs/dbraw/zinc/78/90/99/1063789099.db2.gz FYNDRUKDBYBYQQ-IRXDYDNUSA-N 0 0 450.630 2.807 20 0 JFADRN CCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](SC)C(C)(C)C)C1 ZINC001291333692 1063789886 /nfs/dbraw/zinc/78/98/86/1063789886.db2.gz NTLNISROGPZRPH-IAGOWNOFSA-N 0 0 450.653 2.787 20 0 JFADRN 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CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001291382836 1063925120 /nfs/dbraw/zinc/92/51/20/1063925120.db2.gz CQRZDAWKPQTRRJ-MTNXABLMSA-N 0 0 461.538 2.995 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001291382838 1063925148 /nfs/dbraw/zinc/92/51/48/1063925148.db2.gz CQRZDAWKPQTRRJ-ZDPRRSKRSA-N 0 0 461.538 2.995 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC(C)C)nc1 ZINC001295880738 1063925185 /nfs/dbraw/zinc/92/51/85/1063925185.db2.gz DQFARJAKGLUVHH-GOSISDBHSA-N 0 0 451.593 2.621 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(F)c(F)c1 ZINC001291383251 1063925989 /nfs/dbraw/zinc/92/59/89/1063925989.db2.gz JFEUDFXQYZDROC-PJSUUKDQSA-N 0 0 459.563 2.600 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001291383472 1063926247 /nfs/dbraw/zinc/92/62/47/1063926247.db2.gz LSZLZUQOXKVJKS-ZHEXZJMTSA-N 0 0 452.518 2.955 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ncc(C)s2)CC1 ZINC001291383312 1063926263 /nfs/dbraw/zinc/92/62/63/1063926263.db2.gz JYKNITGBJHMQMY-WDUKFBBWSA-N 0 0 484.692 2.834 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCCCO2)n1Cc1nc2cccc(Cl)c2n1C ZINC001295881428 1063926702 /nfs/dbraw/zinc/92/67/02/1063926702.db2.gz MQVWGSGWOSCMPQ-QGZVFWFLSA-N 0 0 481.022 2.979 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 ZINC001291383682 1063927001 /nfs/dbraw/zinc/92/70/01/1063927001.db2.gz OCZWDMKTNCMVNC-GCKMJXCFSA-N 0 0 454.568 2.589 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(-c2cnn(C)c2)n1CCC(=O)Nc1cccc(Cl)c1C ZINC001295881748 1063927462 /nfs/dbraw/zinc/92/74/62/1063927462.db2.gz SLJPDUVHHJAEPL-UHFFFAOYSA-N 0 0 494.021 2.540 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(-c2cnccn2)n1Cc1ccc(Oc2cccc(F)c2)nc1 ZINC001295881741 1063927475 /nfs/dbraw/zinc/92/74/75/1063927475.db2.gz SFFVKNRSIGCPKG-UHFFFAOYSA-N 0 0 497.556 2.981 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2C)C1 ZINC001291384216 1063927914 /nfs/dbraw/zinc/92/79/14/1063927914.db2.gz UMYQKIAAIHYFMX-XNSSQMBPSA-N 0 0 479.647 2.572 20 0 JFADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCS(C)(=O)=O ZINC001291384875 1063929056 /nfs/dbraw/zinc/92/90/56/1063929056.db2.gz DEJPNWIXDDQDKG-OPAMFIHVSA-N 0 0 460.604 2.613 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCOC2)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 ZINC001295882081 1063929072 /nfs/dbraw/zinc/92/90/72/1063929072.db2.gz WCTFQXUBRINTJK-JENIJYKNSA-N 0 0 462.616 2.976 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCCOC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001295884471 1063930246 /nfs/dbraw/zinc/93/02/46/1063930246.db2.gz BULNRNOTNPIRSS-HNNXBMFYSA-N 0 0 475.537 2.700 20 0 JFADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC(F)(F)F ZINC001291385573 1063930542 /nfs/dbraw/zinc/93/05/42/1063930542.db2.gz MUVCMSJGKCBMAW-AUUYWEPGSA-N 0 0 477.553 2.991 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001291385854 1063931225 /nfs/dbraw/zinc/93/12/25/1063931225.db2.gz RBSSITMGVSKJPY-PKKBDPGCSA-N 0 0 492.642 2.774 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001291386055 1063931575 /nfs/dbraw/zinc/93/15/75/1063931575.db2.gz TWJURYIYSUIONW-LERMDLETSA-N 0 0 480.631 2.773 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cc(C)on1 ZINC001291386103 1063931598 /nfs/dbraw/zinc/93/15/98/1063931598.db2.gz UGWPOZSYSSACOO-QMHKHESXSA-N 0 0 490.630 2.925 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccc(F)cn1 ZINC001295885380 1063931710 /nfs/dbraw/zinc/93/17/10/1063931710.db2.gz GUTYSTWTWRLYDL-UHFFFAOYSA-N 0 0 456.547 2.804 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@](C)(O)c1ccco1 ZINC001295885044 1063931844 /nfs/dbraw/zinc/93/18/44/1063931844.db2.gz DEMZCDICUNXUAS-QHCPKHFHSA-N 0 0 471.583 2.722 20 0 JFADRN 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CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001291386931 1063933906 /nfs/dbraw/zinc/93/39/06/1063933906.db2.gz DQWAZOXUMDUGKZ-VFNWGFHPSA-N 0 0 485.054 2.556 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCNS(C)(=O)=O ZINC001291386959 1063934293 /nfs/dbraw/zinc/93/42/93/1063934293.db2.gz FCXWMDBMKBYWBR-ORAYPTAESA-N 0 0 461.991 2.520 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001291387045 1063934653 /nfs/dbraw/zinc/93/46/53/1063934653.db2.gz GEDAEHGPMQAAOG-ICSGCJEQSA-N 0 0 461.998 2.831 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001291387891 1063936163 /nfs/dbraw/zinc/93/61/63/1063936163.db2.gz QLRYCMZEJBTDHH-NVTAWBTOSA-N 0 0 457.575 2.570 20 0 JFADRN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001291388470 1063936981 /nfs/dbraw/zinc/93/69/81/1063936981.db2.gz YJDYTAYAWGJLEN-IERDGZPVSA-N 0 0 470.039 2.867 20 0 JFADRN 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CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCc2nn(C)c(=O)cc2C1)NC(=O)OC(C)(C)C ZINC001292244075 1065027876 /nfs/dbraw/zinc/02/78/76/1065027876.db2.gz WWCIWOJMYACUMS-IBGZPJMESA-N 0 0 485.633 2.971 20 0 JFADRN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)OC ZINC001292245628 1065028975 /nfs/dbraw/zinc/02/89/75/1065028975.db2.gz ZVTZVFHNLVWRAL-PMACEKPBSA-N 0 0 496.703 2.890 20 0 JFADRN CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCOCC2(CCC2)C1)NC(=O)OC(C)(C)C ZINC001292246117 1065029526 /nfs/dbraw/zinc/02/95/26/1065029526.db2.gz COPZKCSTLMOAGA-SFHVURJKSA-N 0 0 476.622 2.711 20 0 JFADRN CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCOCC2(CCC2)C1)NC(=O)OC(C)(C)C ZINC001292246116 1065029584 /nfs/dbraw/zinc/02/95/84/1065029584.db2.gz COPZKCSTLMOAGA-GOSISDBHSA-N 0 0 476.622 2.711 20 0 JFADRN CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1[C@@H]1CCCO1)NC(=O)OC(C)(C)C ZINC001292246340 1065029760 /nfs/dbraw/zinc/02/97/60/1065029760.db2.gz FZOVVMCMGBZCAR-QYZOEREBSA-N 0 0 476.622 2.852 20 0 JFADRN 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ZINC001293838259 1066342793 /nfs/dbraw/zinc/34/27/93/1066342793.db2.gz XSWYWMRJJIIKKU-JOCHJYFZSA-N 0 0 489.671 2.599 20 0 JFADRN CNC(=O)c1cccc(CCNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c1 ZINC001293841766 1066344183 /nfs/dbraw/zinc/34/41/83/1066344183.db2.gz XSWUVWCLISAWOO-UHFFFAOYSA-N 0 0 455.511 2.959 20 0 JFADRN CCC[C@@](C)(O)Cn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001293843160 1066344433 /nfs/dbraw/zinc/34/44/33/1066344433.db2.gz CXTSKXFSNMENMJ-RPBOFIJWSA-N 0 0 492.665 2.598 20 0 JFADRN CCC[C@](C)(O)Cn1c(N2CCN(c3ccccc3OC)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001293843167 1066344740 /nfs/dbraw/zinc/34/47/40/1066344740.db2.gz CZEOQGUEFHBOTN-LOSJGSFVSA-N 0 0 473.618 2.817 20 0 JFADRN CCC[C@](C)(O)Cn1c(N2CCC(Oc3cncc(Cl)n3)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001293843534 1066345166 /nfs/dbraw/zinc/34/51/66/1066345166.db2.gz HADNMJBWGHBPJG-GOTSBHOMSA-N 0 0 495.024 2.973 20 0 JFADRN CCC[C@](C)(O)Cn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001293843796 1066345392 /nfs/dbraw/zinc/34/53/92/1066345392.db2.gz JYCBLGGNSUFXPG-ZEQRLZLVSA-N 0 0 465.639 2.565 20 0 JFADRN CCC[C@](C)(O)Cn1c(N2CCN(c3nc(C)cs3)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001293844041 1066345713 /nfs/dbraw/zinc/34/57/13/1066345713.db2.gz OFBXBNSVBDSZPI-VXKWHMMOSA-N 0 0 464.636 2.573 20 0 JFADRN CCC[C@@](C)(O)Cn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1C1(c2ccccc2)CCC1 ZINC001293843985 1066345728 /nfs/dbraw/zinc/34/57/28/1066345728.db2.gz NHIDZGHLABUCBY-NFBKMPQASA-N 0 0 475.659 2.817 20 0 JFADRN CCC[C@](C)(O)Cn1c(N2CCN(c3nc(C)cs3)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001293844039 1066345740 /nfs/dbraw/zinc/34/57/40/1066345740.db2.gz OFBXBNSVBDSZPI-FCHUYYIVSA-N 0 0 464.636 2.573 20 0 JFADRN CCC[C@](C)(O)Cn1c(N2CCO[C@@H](c3nccs3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001293844131 1066346145 /nfs/dbraw/zinc/34/61/45/1066346145.db2.gz PSHMTZXZDDGBFZ-VOQZNFBZSA-N 0 0 465.620 2.904 20 0 JFADRN CCC[C@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCS(C)(=O)=O ZINC001293844218 1066346615 /nfs/dbraw/zinc/34/66/15/1066346615.db2.gz RJSFUCVNERGXKM-JTSKRJEESA-N 0 0 487.667 2.772 20 0 JFADRN CCC[C@@](C)(O)Cn1c(N2CCC(C)(c3nc(C)no3)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001293844321 1066346915 /nfs/dbraw/zinc/34/69/15/1066346915.db2.gz SWKSIWCULGXRRZ-PKTZIBPZSA-N 0 0 462.595 2.731 20 0 JFADRN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2cncc(Br)c2n1 ZINC001293845857 1066348318 /nfs/dbraw/zinc/34/83/18/1066348318.db2.gz MOPAAXSKIXJEOH-SFHVURJKSA-N 0 0 452.312 2.961 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1 ZINC001293846419 1066349082 /nfs/dbraw/zinc/34/90/82/1066349082.db2.gz FRAGXIDYVXRXAG-LXGFNABISA-N 0 0 486.592 2.824 20 0 JFADRN CCC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2nc(C)cs2)C1 ZINC001293847840 1066349709 /nfs/dbraw/zinc/34/97/09/1066349709.db2.gz MZUZCFPXULZEFT-ORGXJRBJSA-N 0 0 465.620 2.896 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 ZINC001293848925 1066351306 /nfs/dbraw/zinc/35/13/06/1066351306.db2.gz DNJSJVPPNLNLEU-PZJWPPBQSA-N 0 0 492.628 2.895 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001293849656 1066353220 /nfs/dbraw/zinc/35/32/20/1066353220.db2.gz JHXXSKIVLFYSOD-WMLDXEAASA-N 0 0 488.980 2.815 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001293849624 1066353239 /nfs/dbraw/zinc/35/32/39/1066353239.db2.gz ISMONDWTEVJBAO-QUCCMNQESA-N 0 0 498.628 2.764 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001293849888 1066353936 /nfs/dbraw/zinc/35/39/36/1066353936.db2.gz FXFSTNNOKATWEY-UONOGXRCSA-N 0 0 481.395 2.587 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001293850034 1066354537 /nfs/dbraw/zinc/35/45/37/1066354537.db2.gz MOKFUIMTEYCLKN-GOSISDBHSA-N 0 0 498.628 2.967 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccnc2C)CC1 ZINC001293850126 1066354885 /nfs/dbraw/zinc/35/48/85/1066354885.db2.gz HWMUBQKLGKGESL-IBGZPJMESA-N 0 0 492.628 2.931 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2ccccc2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001293850195 1066355125 /nfs/dbraw/zinc/35/51/25/1066355125.db2.gz NTRNNHIZESICGX-NHCUHLMSSA-N 0 0 454.619 2.656 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2cc3ccccc3o2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001293850370 1066355588 /nfs/dbraw/zinc/35/55/88/1066355588.db2.gz JVHGDBYYEVSQDK-SJORKVTESA-N 0 0 452.559 2.911 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2cccc(OC)c2)nnc1N1CCC(NC(C)=O)CC1 ZINC001293851502 1066357609 /nfs/dbraw/zinc/35/76/09/1066357609.db2.gz OMYXIMBCRAGLND-KRWDZBQOSA-N 0 0 456.591 2.611 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001293851912 1066357689 /nfs/dbraw/zinc/35/76/89/1066357689.db2.gz WSSIWDLRQYGVGN-JTAQYXEDSA-N 0 0 484.645 2.663 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1ccon1 ZINC001293851962 1066358011 /nfs/dbraw/zinc/35/80/11/1066358011.db2.gz XGPNELWINSNOGJ-INIZCTEOSA-N 0 0 454.531 2.893 20 0 JFADRN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(C)c(S(=O)(=O)N3CCCCC3)c1)CC2 ZINC001293852693 1066359332 /nfs/dbraw/zinc/35/93/32/1066359332.db2.gz JQJIMTMPZZFPOV-RTWAWAEBSA-N 0 0 450.601 2.562 20 0 JFADRN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cccc(S(=O)(=O)N(C)c3ccccc3)c1)CC2 ZINC001293853398 1066359642 /nfs/dbraw/zinc/35/96/42/1066359642.db2.gz PDBYEIJXGSPLNS-YADHBBJMSA-N 0 0 458.580 2.904 20 0 JFADRN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cccnc1SCc1ccc(C(N)=O)cc1)CC2 ZINC001293853865 1066360912 /nfs/dbraw/zinc/36/09/12/1066360912.db2.gz WIWYEMRYHLVTRG-WOJBJXKFSA-N 0 0 455.580 2.865 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001293854939 1066361772 /nfs/dbraw/zinc/36/17/72/1066361772.db2.gz CZDSOUGWMOMTMY-MSOLQXFVSA-N 0 0 466.586 2.989 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 ZINC001293855390 1066362418 /nfs/dbraw/zinc/36/24/18/1066362418.db2.gz HJXWTUZVRXMTEU-RXVVDRJESA-N 0 0 466.590 2.687 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 ZINC001293855387 1066362583 /nfs/dbraw/zinc/36/25/83/1066362583.db2.gz HJXWTUZVRXMTEU-NQIIRXRSSA-N 0 0 466.590 2.687 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 ZINC001293855563 1066362864 /nfs/dbraw/zinc/36/28/64/1066362864.db2.gz HXSWRAWLCCPIOC-RBUKOAKNSA-N 0 0 451.579 2.634 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC001293857901 1066365487 /nfs/dbraw/zinc/36/54/87/1066365487.db2.gz YASAVXLBCKTBAW-MJGOQNOKSA-N 0 0 482.589 2.977 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001293857753 1066365493 /nfs/dbraw/zinc/36/54/93/1066365493.db2.gz XBWQCSODHNSEBS-MOPGFXCFSA-N 0 0 486.665 2.610 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001293858376 1066366190 /nfs/dbraw/zinc/36/61/90/1066366190.db2.gz BYEBMLNLOHMXBH-NXOAAHMSSA-N 0 0 461.529 2.881 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC001293858417 1066366408 /nfs/dbraw/zinc/36/64/08/1066366408.db2.gz COGNGVCQFFFOLQ-ZWKOTPCHSA-N 0 0 474.581 2.916 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC001293858415 1066366458 /nfs/dbraw/zinc/36/64/58/1066366458.db2.gz COGNGVCQFFFOLQ-QZTJIDSGSA-N 0 0 474.581 2.916 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@H]1CCSC1 ZINC001293859899 1066367306 /nfs/dbraw/zinc/36/73/06/1066367306.db2.gz AEZJXDKHLWQJSF-SJORKVTESA-N 0 0 483.642 2.686 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cc(C)on2)CC1 ZINC001293860416 1066368672 /nfs/dbraw/zinc/36/86/72/1066368672.db2.gz BZJODEHZNLHHDZ-RXVVDRJESA-N 0 0 473.622 2.691 20 0 JFADRN O=C(Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F)c1cc2c([nH]c1=O)CCCC2=O ZINC001293861021 1066369541 /nfs/dbraw/zinc/36/95/41/1066369541.db2.gz CTBGLAQRAKGHSI-UHFFFAOYSA-N 0 0 453.879 2.792 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(C2CCC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001293861073 1066369591 /nfs/dbraw/zinc/36/95/91/1066369591.db2.gz DJQGVENJOGRHLY-HKUYNNGSSA-N 0 0 478.638 2.828 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001293861135 1066369850 /nfs/dbraw/zinc/36/98/50/1066369850.db2.gz FCDQVDHBRKAZKU-DMEDLEQBSA-N 0 0 470.618 2.974 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 ZINC001293861124 1066369972 /nfs/dbraw/zinc/36/99/72/1066369972.db2.gz DYYFBCINRJVJOB-OAQYLSRUSA-N 0 0 487.693 2.623 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(CC(C)(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC001293861404 1066370138 /nfs/dbraw/zinc/37/01/38/1066370138.db2.gz QLSJHBXANILBOB-RBUKOAKNSA-N 0 0 496.664 2.572 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001293861857 1066371268 /nfs/dbraw/zinc/37/12/68/1066371268.db2.gz SRNQYJHLRCPRSQ-NHCUHLMSSA-N 0 0 489.709 2.552 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001293862462 1066372301 /nfs/dbraw/zinc/37/23/01/1066372301.db2.gz VJNMCTBMSGIGEI-UUOWRZLLSA-N 0 0 491.633 2.575 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001293862461 1066372311 /nfs/dbraw/zinc/37/23/11/1066372311.db2.gz VJNMCTBMSGIGEI-MHECFPHRSA-N 0 0 491.633 2.575 20 0 JFADRN Cn1ncc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)c(Cl)cc2F)c1Br ZINC001293862748 1066372455 /nfs/dbraw/zinc/37/24/55/1066372455.db2.gz ZSZNUIZMGCSADL-UHFFFAOYSA-N 0 0 451.705 2.668 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001293862775 1066372604 /nfs/dbraw/zinc/37/26/04/1066372604.db2.gz WHTXAVFORQGZEX-RZUBCFFCSA-N 0 0 488.677 2.809 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cc(C)no2)CC1 ZINC001293862887 1066372814 /nfs/dbraw/zinc/37/28/14/1066372814.db2.gz KZWCWMSPRRXZOH-WIYYLYMNSA-N 0 0 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CCCCCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn2ccccc12)C(C)C ZINC001294116228 1061597973 /nfs/dbraw/zinc/59/79/73/1061597973.db2.gz UVKJOIKKDXBDEP-NRFANRHFSA-N 0 0 489.646 2.712 20 0 JFADRN Cc1cccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CCc2ccc3c[nH]nc3c2)n1 ZINC001289909144 1061598158 /nfs/dbraw/zinc/59/81/58/1061598158.db2.gz MAYKEXZMGSWCCT-INIZCTEOSA-N 0 0 453.572 2.637 20 0 JFADRN Cc1cccc(-c2nnc(N(C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)n2CC2(C)COC2)n1 ZINC001289909308 1061598668 /nfs/dbraw/zinc/59/86/68/1061598668.db2.gz NDLOOOWENBTEKL-MRXNPFEDSA-N 0 0 456.572 2.530 20 0 JFADRN CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001294117181 1061598853 /nfs/dbraw/zinc/59/88/53/1061598853.db2.gz UKXQTSAXIKLGDV-SFHVURJKSA-N 0 0 462.620 2.808 20 0 JFADRN Cc1cccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)n1 ZINC001289909432 1061599175 /nfs/dbraw/zinc/59/91/75/1061599175.db2.gz LMLQTMUYAWBTBA-MRXNPFEDSA-N 0 0 478.619 2.575 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2CCCOC(C)C)CCO1 ZINC001286943207 1061599300 /nfs/dbraw/zinc/59/93/00/1061599300.db2.gz UPPYNUOVVLFNDO-LJQANCHMSA-N 0 0 454.575 2.593 20 0 JFADRN CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001294117365 1061599324 /nfs/dbraw/zinc/59/93/24/1061599324.db2.gz WUMMSZVBKBSICT-IBGZPJMESA-N 0 0 482.633 2.685 20 0 JFADRN O=C(NCc1cccc(S(=O)(=O)C(F)(F)F)c1)c1cc2nccc(C(F)(F)F)n2n1 ZINC001289911228 1061602871 /nfs/dbraw/zinc/60/28/71/1061602871.db2.gz RROUOVDHXJWIMN-UHFFFAOYSA-N 0 0 452.336 2.972 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H](C)c2nc(C)cs2)CCO1 ZINC001286943531 1061603249 /nfs/dbraw/zinc/60/32/49/1061603249.db2.gz BBHDYGHLCGNNGT-RDTXWAMCSA-N 0 0 460.629 2.840 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2CCO[C@@H]2CCCC[C@@H]2C)n1 ZINC001289912382 1061603777 /nfs/dbraw/zinc/60/37/77/1061603777.db2.gz DTRPLEOUHODTSG-GHTZIAJQSA-N 0 0 456.591 2.539 20 0 JFADRN CC(=O)[C@@H]1CC(C(=O)NCc2cccc(S(=O)(=O)C(F)(F)F)c2)=NN1c1ccccc1 ZINC001289911623 1061603852 /nfs/dbraw/zinc/60/38/52/1061603852.db2.gz XGPJVESUEXDZRU-SFHVURJKSA-N 0 0 453.442 2.820 20 0 JFADRN CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC001294122466 1061604650 /nfs/dbraw/zinc/60/46/50/1061604650.db2.gz WTYYLQFLUSLAOE-QFBILLFUSA-N 0 0 451.593 2.665 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CC(=O)NC(C)C)n2CCc2ccc3c(c2)OCCO3)n1 ZINC001289912695 1061604671 /nfs/dbraw/zinc/60/46/71/1061604671.db2.gz LCUKXQWGAUPGIG-UHFFFAOYSA-N 0 0 450.543 2.623 20 0 JFADRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc(Oc2cccc(Br)c2)ccn1 ZINC001294123193 1061605728 /nfs/dbraw/zinc/60/57/28/1061605728.db2.gz FYSHSMXTTRFULS-AWEZNQCLSA-N 0 0 454.346 2.790 20 0 JFADRN COc1cc(CN2CCN(C(=O)c3cc(F)c(OC)c(F)c3N)CC2)cc(OC)c1OC ZINC001294124090 1061606703 /nfs/dbraw/zinc/60/67/03/1061606703.db2.gz TZTLJQRWGXLLSP-UHFFFAOYSA-N 0 0 451.470 2.539 20 0 JFADRN CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 ZINC001294124168 1061606765 /nfs/dbraw/zinc/60/67/65/1061606765.db2.gz VFFUCQDLDINAKU-QGZVFWFLSA-N 0 0 450.992 2.948 20 0 JFADRN COc1cc(CN2CCN(C(=O)[C@@H]3CCO[C@@H](c4ccccc4)O3)CC2)cc(OC)c1OC ZINC001294123928 1061606773 /nfs/dbraw/zinc/60/67/73/1061606773.db2.gz ODEAJJYUWVMRNY-NBGIEHNGSA-N 0 0 456.539 2.861 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCO[C@@H]2C(C)C)CCO1 ZINC001286943979 1061607135 /nfs/dbraw/zinc/60/71/35/1061607135.db2.gz DHDPBYXPEYHUJD-VDKIKQQVSA-N 0 0 469.630 2.970 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCCO[C@H]2C(C)C)CCO1 ZINC001286943976 1061607218 /nfs/dbraw/zinc/60/72/18/1061607218.db2.gz DHDPBYXPEYHUJD-ARNLJNQMSA-N 0 0 469.630 2.970 20 0 JFADRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCCS1(=O)=O ZINC001289915341 1061608085 /nfs/dbraw/zinc/60/80/85/1061608085.db2.gz KXTBIUWKBUETCN-SFHVURJKSA-N 0 0 457.604 2.603 20 0 JFADRN CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC001294127260 1061609965 /nfs/dbraw/zinc/60/99/65/1061609965.db2.gz MPYLKVYCLYDEBE-FUHWJXTLSA-N 0 0 456.630 2.585 20 0 JFADRN CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC001294127062 1061610090 /nfs/dbraw/zinc/61/00/90/1061610090.db2.gz KZQSWZXOUJQIGL-UHFFFAOYSA-N 0 0 461.592 2.590 20 0 JFADRN Cc1cccc(-c2nnc(N(C)Cc3ccc([S@@](C)=O)cc3)n2CCN2CCOC[C@@H]2C)n1 ZINC001289917665 1061610516 /nfs/dbraw/zinc/61/05/16/1061610516.db2.gz TXCKMWOVFCXWBQ-DUTUXMCTSA-N 0 0 468.627 2.743 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCSCC(F)(F)F)CCO1 ZINC001286944365 1061611371 /nfs/dbraw/zinc/61/13/71/1061611371.db2.gz GUWBCKDXQRJCIH-OAHLLOKOSA-N 0 0 463.551 2.567 20 0 JFADRN CCc1ccc([C@@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001294130314 1061611902 /nfs/dbraw/zinc/61/19/02/1061611902.db2.gz FXSWIROZCLWLRZ-OAQYLSRUSA-N 0 0 450.520 2.920 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC2(F)CCC2)CCO1 ZINC001286944414 1061612738 /nfs/dbraw/zinc/61/27/38/1061612738.db2.gz AGLDTYCHWJTVJX-OTWHNJEPSA-N 0 0 494.612 2.672 20 0 JFADRN Cc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2Cc2ccc(C(N)=O)cc2)n1 ZINC001289921291 1061612798 /nfs/dbraw/zinc/61/27/98/1061612798.db2.gz ADUUBOCQHDCPEY-UHFFFAOYSA-N 0 0 450.934 2.819 20 0 JFADRN CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC001294132220 1061613048 /nfs/dbraw/zinc/61/30/48/1061613048.db2.gz JKZPHZNPKNSBSP-UHFFFAOYSA-N 0 0 455.538 2.736 20 0 JFADRN Cc1ccc(NC(=O)C2(CNC(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)CCCC2)cc1C ZINC001294131357 1061613117 /nfs/dbraw/zinc/61/31/17/1061613117.db2.gz VDDSHJYEBCEDNE-HXUWFJFHSA-N 0 0 456.568 2.649 20 0 JFADRN CCCCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001294133434 1061614121 /nfs/dbraw/zinc/61/41/21/1061614121.db2.gz MEXPIQXGZLVAKQ-DEOSSOPVSA-N 0 0 451.575 2.828 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCO[C@@H](C)c2ccccc2)CCO1 ZINC001286944678 1061614965 /nfs/dbraw/zinc/61/49/65/1061614965.db2.gz UPIQLESGXCJCGK-WWPVKYPJSA-N 0 0 471.602 2.681 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCO[C@@H](C)c2ccccc2)CCO1 ZINC001286944675 1061614988 /nfs/dbraw/zinc/61/49/88/1061614988.db2.gz UPIQLESGXCJCGK-AJSBUHFISA-N 0 0 471.602 2.681 20 0 JFADRN Cc1cccc(-c2nnc(N(C)Cc3nc4ccsc4c(=O)[nH]3)n2CC(=O)NCC(F)(F)F)n1 ZINC001289922649 1061615108 /nfs/dbraw/zinc/61/51/08/1061615108.db2.gz SDUXGENIYOBTBO-UHFFFAOYSA-N 0 0 492.487 2.674 20 0 JFADRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)cc1 ZINC001294135025 1061615250 /nfs/dbraw/zinc/61/52/50/1061615250.db2.gz AXDWLOABHATODV-ULQDDVLXSA-N 0 0 454.527 2.629 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CC3CCOCC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)n1 ZINC001289923695 1061616312 /nfs/dbraw/zinc/61/63/12/1061616312.db2.gz DHEBVUHCYLBJHF-FQEVSTJZSA-N 0 0 466.561 2.995 20 0 JFADRN Cc1cc(CN(C)c2nnc(-c3cccc(C)n3)n2CC[C@H](C(F)F)N2CCOCC2)no1 ZINC001289923240 1061616375 /nfs/dbraw/zinc/61/63/75/1061616375.db2.gz NSZICNXLZJIDPD-LJQANCHMSA-N 0 0 461.517 2.937 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCO[C@H]2C(C)C)CCO1 ZINC001286944851 1061617148 /nfs/dbraw/zinc/61/71/48/1061617148.db2.gz IAVVHAPUHGSBGE-SJBKTWHCSA-N 0 0 461.632 2.723 20 0 JFADRN CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC001294136061 1061617472 /nfs/dbraw/zinc/61/74/72/1061617472.db2.gz CEUNGMSEIKOTGL-INIZCTEOSA-N 0 0 481.569 2.611 20 0 JFADRN CC(=O)NCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001286944973 1061618109 /nfs/dbraw/zinc/61/81/09/1061618109.db2.gz FSSUTHKHSVEKRJ-KRWDZBQOSA-N 0 0 474.581 2.778 20 0 JFADRN CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001294136289 1061619892 /nfs/dbraw/zinc/61/98/92/1061619892.db2.gz FCLHFDUXBVBZSQ-WDSOQIARSA-N 0 0 483.660 2.829 20 0 JFADRN Cc1nccn1-c1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)CCS(C)(=O)=O)cc1F ZINC001289930823 1061620621 /nfs/dbraw/zinc/62/06/21/1061620621.db2.gz DMODHUFLRBZMGB-UHFFFAOYSA-N 0 0 483.573 2.811 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCN3CCOC(C)(C)C3)n2CCC(=O)N2CCCCCC2)n1 ZINC001289931097 1061622397 /nfs/dbraw/zinc/62/23/97/1061622397.db2.gz HDOCPJKATXZNGW-UHFFFAOYSA-N 0 0 483.661 2.988 20 0 JFADRN CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001294138390 1061622918 /nfs/dbraw/zinc/62/29/18/1061622918.db2.gz QOPWKCMSLDFNNY-KSSFIOAISA-N 0 0 452.543 2.900 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCOc3ccccc3Cl)n2CCCn2cnnn2)n1 ZINC001289931811 1061623265 /nfs/dbraw/zinc/62/32/65/1061623265.db2.gz OLJKQNSQCDXLQL-UHFFFAOYSA-N 0 0 453.938 2.894 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCS(C)(=O)=O)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC001289931571 1061623332 /nfs/dbraw/zinc/62/33/32/1061623332.db2.gz NLAJOTGCCZBIPZ-GOSISDBHSA-N 0 0 492.646 2.776 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCS(C)(=O)=O)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC001289931572 1061623407 /nfs/dbraw/zinc/62/34/07/1061623407.db2.gz NLAJOTGCCZBIPZ-SFHVURJKSA-N 0 0 492.646 2.776 20 0 JFADRN CC(=O)NCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001286945351 1061623629 /nfs/dbraw/zinc/62/36/29/1061623629.db2.gz HFYSIJHBVVFMLB-VQIMIIECSA-N 0 0 477.009 2.902 20 0 JFADRN CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001294138491 1061623758 /nfs/dbraw/zinc/62/37/58/1061623758.db2.gz RYPPYBUZOBMBLQ-RTWAWAEBSA-N 0 0 492.665 2.935 20 0 JFADRN Cc1cccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2CCN(C(=O)OC(C)(C)C)C2CC2)n1 ZINC001289932050 1061624574 /nfs/dbraw/zinc/62/45/74/1061624574.db2.gz OSYRQSGHLYCPRJ-UHFFFAOYSA-N 0 0 492.646 2.919 20 0 JFADRN CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001294138887 1061625228 /nfs/dbraw/zinc/62/52/28/1061625228.db2.gz SKDCBGYRWBZHPK-QGZVFWFLSA-N 0 0 475.537 2.855 20 0 JFADRN CCCn1c(=O)[nH]c(=O)c2c(C(=O)NC3(C(=O)NCC4CC4)CCCC3)cc(C(C)C)nc21 ZINC001294139213 1061625243 /nfs/dbraw/zinc/62/52/43/1061625243.db2.gz UGMJBMHJIFCTRO-UHFFFAOYSA-N 0 0 455.559 2.599 20 0 JFADRN CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)NC3(C(=O)NCC4CC4)CCCC3)cn2c1 ZINC001294138567 1061625281 /nfs/dbraw/zinc/62/52/81/1061625281.db2.gz SDPONCMCVSWSBC-UHFFFAOYSA-N 0 0 455.559 2.928 20 0 JFADRN Cc1ccoc1C(=O)NCCCn1c(-c2cccc(C)n2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001289932637 1061626905 /nfs/dbraw/zinc/62/69/05/1061626905.db2.gz WMYPFMRZIWLQJB-OYRHEFFESA-N 0 0 495.628 2.915 20 0 JFADRN CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 ZINC001294140211 1061627303 /nfs/dbraw/zinc/62/73/03/1061627303.db2.gz ZHMCJKLMAMWWHI-CEXWTWQISA-N 0 0 453.653 2.892 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(C)CC2)CCO1 ZINC001286945816 1061627981 /nfs/dbraw/zinc/62/79/81/1061627981.db2.gz YBCIUYGXMMYUSH-RBUKOAKNSA-N 0 0 476.622 2.534 20 0 JFADRN CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001294140673 1061628242 /nfs/dbraw/zinc/62/82/42/1061628242.db2.gz XXRJFZXIJIWBRW-SFHVURJKSA-N 0 0 464.611 2.534 20 0 JFADRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)Cc2nnc(-c3ccccc3OC)o2)cc1 ZINC001294140484 1061628248 /nfs/dbraw/zinc/62/82/48/1061628248.db2.gz YONDBZVTGJZTEZ-CQSZACIVSA-N 0 0 452.467 2.608 20 0 JFADRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)Cc2nnc(-c3ccccc3OC)o2)cc1 ZINC001294140482 1061628280 /nfs/dbraw/zinc/62/82/80/1061628280.db2.gz YONDBZVTGJZTEZ-AWEZNQCLSA-N 0 0 452.467 2.608 20 0 JFADRN CC(=O)Nc1ccc(OC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c(F)c1 ZINC001294140729 1061628287 /nfs/dbraw/zinc/62/82/87/1061628287.db2.gz SXIIOFYBMBLQDH-UHFFFAOYSA-N 0 0 459.293 2.773 20 0 JFADRN COc1cc(CC2CN(C(=O)c3ccc(Br)cc3-n3cnnn3)C2)cc(OC)c1 ZINC001294144212 1061630393 /nfs/dbraw/zinc/63/03/93/1061630393.db2.gz AEMAKSPGYNHOMG-UHFFFAOYSA-N 0 0 458.316 2.757 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCSC2(C)C)CCO1 ZINC001286946098 1061631028 /nfs/dbraw/zinc/63/10/28/1061631028.db2.gz OPXZPVKIXHUSCZ-PZJWPPBQSA-N 0 0 473.643 2.773 20 0 JFADRN Cc1cccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CCCCCS(C)(=O)=O)n1 ZINC001289941690 1061632998 /nfs/dbraw/zinc/63/29/98/1061632998.db2.gz RCUIPWLANGTURI-UHFFFAOYSA-N 0 0 490.674 2.947 20 0 JFADRN NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(Br)c1I ZINC001294147799 1061633412 /nfs/dbraw/zinc/63/34/12/1061633412.db2.gz SUNVERXHNBZGHG-LDYMZIIASA-N 0 0 451.102 2.828 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2scnc2C)CCO1 ZINC001286946341 1061634063 /nfs/dbraw/zinc/63/40/63/1061634063.db2.gz JZSINELBTUNCLJ-OAQYLSRUSA-N 0 0 484.626 2.823 20 0 JFADRN Cc1cccc(-c2nnc(N3C[C@@H](c4ccsc4)O[C@@H](C)C3)n2CCS(=O)(=O)N(C)C)n1 ZINC001289941764 1061633987 /nfs/dbraw/zinc/63/39/87/1061633987.db2.gz RSSUJIMNYMVDPQ-LPHOPBHVSA-N 0 0 476.628 2.568 20 0 JFADRN Cc1cccc(-c2nnc(N3C[C@@H](C)O[C@H](c4ccccc4)C3)n2CCS(=O)(=O)NC(C)C)n1 ZINC001289942238 1061634037 /nfs/dbraw/zinc/63/40/37/1061634037.db2.gz SGSWZPKIECNRRH-KNQAVFIVSA-N 0 0 484.626 2.943 20 0 JFADRN CC(=O)NCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001286946487 1061635054 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C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CSc2ccccc21 ZINC001286972370 1061753758 /nfs/dbraw/zinc/75/37/58/1061753758.db2.gz GUIMZDAAMADJBV-ZACQAIPSSA-N 0 0 477.656 2.661 20 0 JFADRN C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(O)cc2)CC1 ZINC001286972422 1061754176 /nfs/dbraw/zinc/75/41/76/1061754176.db2.gz RPKZBDSZTRYMQA-IBGZPJMESA-N 0 0 454.619 2.754 20 0 JFADRN C[C@H](C(=O)NC1CCCC1)N1CCN(c2nnc(-c3ccccc3F)n2CCC(C)(C)O)CC1 ZINC001286972391 1061754279 /nfs/dbraw/zinc/75/42/79/1061754279.db2.gz HDJSNNFGSHGEKI-GOSISDBHSA-N 0 0 472.609 2.815 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccccc1)C1CC1 ZINC001286972433 1061754393 /nfs/dbraw/zinc/75/43/93/1061754393.db2.gz HQCZLTUSXDIBOX-LQWHRVPQSA-N 0 0 473.643 2.966 20 0 JFADRN CCCCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CCCCC1 ZINC001294247863 1061754913 /nfs/dbraw/zinc/75/49/13/1061754913.db2.gz WSQXDJGBGAECCK-DENIHFKCSA-N 0 0 471.668 2.569 20 0 JFADRN CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCCCNc2ccc(C)cn2)cc1 ZINC001294248823 1061755382 /nfs/dbraw/zinc/75/53/82/1061755382.db2.gz WFFUPJMMAFYUAY-NRFANRHFSA-N 0 0 458.584 2.754 20 0 JFADRN CCCCN(CC)c1nnc(COc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 ZINC001294248066 1061755563 /nfs/dbraw/zinc/75/55/63/1061755563.db2.gz ULILWLIAOJDUOH-UHFFFAOYSA-N 0 0 454.568 2.562 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(Cl)c2)n1CC1(S(C)(=O)=O)CCC1 ZINC001286972843 1061756711 /nfs/dbraw/zinc/75/67/11/1061756711.db2.gz JYWCIFUVKZRNAS-GJZGRUSLSA-N 0 0 489.063 2.824 20 0 JFADRN C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(CC3CC3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001286972990 1061757745 /nfs/dbraw/zinc/75/77/45/1061757745.db2.gz YAAQLCVEVRWJOM-INIZCTEOSA-N 0 0 456.557 2.952 20 0 JFADRN Cc1cccc(N2CCN(c3nnc([C@H]4CCCOC4)n3CCCS(C)(=O)=O)CC2)c1C ZINC001290041636 1061757941 /nfs/dbraw/zinc/75/79/41/1061757941.db2.gz JXVZSBLHDDUEOO-FQEVSTJZSA-N 0 0 461.632 2.550 20 0 JFADRN 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C[C@H]([C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCOC1CCCCC1)S(C)(=O)=O ZINC001286973221 1061759716 /nfs/dbraw/zinc/75/97/16/1061759716.db2.gz NVDCUCQWHGLQLE-ZWKOTPCHSA-N 0 0 469.652 2.511 20 0 JFADRN Cc1ccc(Cc2nc(C(=O)N3CCN(S(=O)(=O)CCOC(C)C)CC3)cs2)cc1 ZINC001294255249 1061760547 /nfs/dbraw/zinc/76/05/47/1061760547.db2.gz QKBSMFPNGUJETG-UHFFFAOYSA-N 0 0 451.614 2.555 20 0 JFADRN CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001294256542 1061761211 /nfs/dbraw/zinc/76/12/11/1061761211.db2.gz QWIMORNRBDPQBB-UHFFFAOYSA-N 0 0 465.533 2.756 20 0 JFADRN CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 ZINC001294256583 1061761282 /nfs/dbraw/zinc/76/12/82/1061761282.db2.gz RUKSKMNWDJYNMJ-UHFFFAOYSA-N 0 0 456.591 2.524 20 0 JFADRN O=C([C@@H]1C[C@H]1c1cccc(O)c1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC001290045198 1061762814 /nfs/dbraw/zinc/76/28/14/1061762814.db2.gz CQDSCPXVMQCWLQ-LSDHHAIUSA-N 0 0 471.398 2.853 20 0 JFADRN Cc1cccc(NC2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H]3OCC[C@H]3C)CC2)c1 ZINC001290045388 1061762858 /nfs/dbraw/zinc/76/28/58/1061762858.db2.gz YUZDVKKNECBGTB-LVCYWYKZSA-N 0 0 476.647 2.703 20 0 JFADRN CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001294261239 1061763199 /nfs/dbraw/zinc/76/31/99/1061763199.db2.gz BGPCVOUOICYWOL-UHFFFAOYSA-N 0 0 462.957 2.809 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1cnn(C)c1 ZINC001286973601 1061763357 /nfs/dbraw/zinc/76/33/57/1061763357.db2.gz UBJNMJNAVMQTCR-OLZOCXBDSA-N 0 0 499.410 2.886 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCOC1CCCCCC1 ZINC001286973685 1061763927 /nfs/dbraw/zinc/76/39/27/1061763927.db2.gz VILKMOVMGHLWDD-QZTJIDSGSA-N 0 0 492.646 2.923 20 0 JFADRN C[C@@H](C(=O)NC1CCCC1)N1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C(N)=O)c2)CC1 ZINC001286973626 1061763994 /nfs/dbraw/zinc/76/39/94/1061763994.db2.gz UKCUUSKPNSEVFO-IBGZPJMESA-N 0 0 495.672 2.583 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)[C@H]3CCSC3)n2CCS(=O)(=O)CC2CC2)c1 ZINC001290046065 1061763977 /nfs/dbraw/zinc/76/39/77/1061763977.db2.gz CGRDHLCPPHFPKY-SFHVURJKSA-N 0 0 450.630 2.932 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001290046055 1061764034 /nfs/dbraw/zinc/76/40/34/1061764034.db2.gz CBHOZUVVXJZUSW-UHFFFAOYSA-N 0 0 466.586 2.572 20 0 JFADRN Cc1c(CC(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)cnn1C ZINC001290046089 1061764180 /nfs/dbraw/zinc/76/41/80/1061764180.db2.gz MBXIPBWHLBIPRH-UHFFFAOYSA-N 0 0 456.524 2.872 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CC1CC(c2ccccc2)C1 ZINC001286973998 1061765652 /nfs/dbraw/zinc/76/56/52/1061765652.db2.gz ZAMOYYAYEVFJSV-DENAFPEJSA-N 0 0 473.643 2.966 20 0 JFADRN COc1ccc(NC(=O)C2(NC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)CCCC2)cc1OC ZINC001294266615 1061765855 /nfs/dbraw/zinc/76/58/55/1061765855.db2.gz GWCGHYATCYLIEU-UHFFFAOYSA-N 0 0 454.527 2.949 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(COc3cccc(C)c3)nnc2N(C)[C@@H]2CCOC2)s1 ZINC001290046941 1061765919 /nfs/dbraw/zinc/76/59/19/1061765919.db2.gz LVUQEICRDBBJTP-GOSISDBHSA-N 0 0 491.639 2.739 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCN2CCCC(C)(C)C2)c1 ZINC001290047376 1061767048 /nfs/dbraw/zinc/76/70/48/1061767048.db2.gz QPYQQBQRPGWYCY-FQEVSTJZSA-N 0 0 475.659 2.911 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CCNC(=O)c2ccco2)c1 ZINC001290047181 1061767321 /nfs/dbraw/zinc/76/73/21/1061767321.db2.gz ODHXETWSGQFLBR-UHFFFAOYSA-N 0 0 468.558 2.539 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CCS(C)(=O)=O)c1 ZINC001290048620 1061768423 /nfs/dbraw/zinc/76/84/23/1061768423.db2.gz UUWRKTFGISDRTA-UHFFFAOYSA-N 0 0 486.520 2.599 20 0 JFADRN CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001294278391 1061769393 /nfs/dbraw/zinc/76/93/93/1061769393.db2.gz HFDWIDHTJFRBSR-GOSISDBHSA-N 0 0 484.667 2.664 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2CCCn2ccnn2)c1 ZINC001290052021 1061769611 /nfs/dbraw/zinc/76/96/11/1061769611.db2.gz BTIDRIMRDPEFRW-UHFFFAOYSA-N 0 0 455.563 2.683 20 0 JFADRN 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499.616 2.588 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC1(C)CCC1 ZINC001286979289 1061804943 /nfs/dbraw/zinc/80/49/43/1061804943.db2.gz JKAXZQGYBZZKHN-HOTGVXAUSA-N 0 0 472.615 2.640 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CCNC(=O)OC(C)(C)C ZINC001286979365 1061805565 /nfs/dbraw/zinc/80/55/65/1061805565.db2.gz YOKALCCUDODGSN-CABCVRRESA-N 0 0 471.649 2.713 20 0 JFADRN CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(O)cc2)C1 ZINC001294315171 1061806840 /nfs/dbraw/zinc/80/68/40/1061806840.db2.gz ANYYJLLVZKQPDC-AZUAARDMSA-N 0 0 468.602 2.789 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCn1c(=O)[nH]c2ccccc21)S(C)(=O)=O ZINC001286979636 1061807130 /nfs/dbraw/zinc/80/71/30/1061807130.db2.gz YVXFLZICBPZSDT-JKSUJKDBSA-N 0 0 488.639 2.944 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCCCCS(C)(=O)=O)c1 ZINC001290077652 1061807110 /nfs/dbraw/zinc/80/71/10/1061807110.db2.gz IENBTMKQGOYWFU-QUCCMNQESA-N 0 0 450.605 2.588 20 0 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Cc1csc(Cn2c(N3CCN(CCOC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001290354865 1062066441 /nfs/dbraw/zinc/06/64/41/1062066441.db2.gz VBOASPDDBNDWSQ-HSZRJFAPSA-N 0 0 478.663 2.679 20 0 JFADRN CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)NCc2nccn2CCc2ccccc2)C1 ZINC001294530331 1062067427 /nfs/dbraw/zinc/06/74/27/1062067427.db2.gz CYHDSBITBQAUPM-XMMPIXPASA-N 0 0 458.534 2.718 20 0 JFADRN CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001294530830 1062067598 /nfs/dbraw/zinc/06/75/98/1062067598.db2.gz DSPXDOGROOJGAK-GOSISDBHSA-N 0 0 451.564 2.739 20 0 JFADRN CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001294530831 1062067908 /nfs/dbraw/zinc/06/79/08/1062067908.db2.gz DSPXDOGROOJGAK-SFHVURJKSA-N 0 0 451.564 2.739 20 0 JFADRN Cc1cscc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 ZINC001290358637 1062068137 /nfs/dbraw/zinc/06/81/37/1062068137.db2.gz ALJRQTAFXFVOAZ-LJQANCHMSA-N 0 0 479.603 2.805 20 0 JFADRN CC(C)(C)OC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCS2)CC1 ZINC001287054928 1062068174 /nfs/dbraw/zinc/06/81/74/1062068174.db2.gz RPVZBOUSALWWKC-KRWDZBQOSA-N 0 0 464.636 2.743 20 0 JFADRN CSCC[C@@H](NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1)c1nnc2ccccn21 ZINC001290358041 1062068297 /nfs/dbraw/zinc/06/82/97/1062068297.db2.gz IEIVBZVIFDEFQB-GOSISDBHSA-N 0 0 455.588 2.599 20 0 JFADRN Cc1cscc1Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001290358659 1062068485 /nfs/dbraw/zinc/06/84/85/1062068485.db2.gz BFLCOZYCSMDPQR-QGZVFWFLSA-N 0 0 460.629 2.866 20 0 JFADRN CNS(=O)(=O)Cc1ccc(CNC(=O)c2cccc3c2CN(C(=O)OC(C)(C)C)C3)cc1 ZINC001290359583 1062068523 /nfs/dbraw/zinc/06/85/23/1062068523.db2.gz VSDHAGLDCUZLLY-UHFFFAOYSA-N 0 0 459.568 2.917 20 0 JFADRN COc1ccc([C@H](CC(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)NC(C)=O)cc1 ZINC001294533025 1062068670 /nfs/dbraw/zinc/06/86/70/1062068670.db2.gz YWEUFDALNZQKPP-QHCPKHFHSA-N 0 0 455.530 2.705 20 0 JFADRN CCCN(Cc1ccc(F)cc1C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001294533375 1062069313 /nfs/dbraw/zinc/06/93/13/1062069313.db2.gz PNFRSUMPBCZTFR-WZONZLPQSA-N 0 0 477.606 2.523 20 0 JFADRN Cc1nc(C)c(CCn2c(C(=O)N3CCCC3)nnc2N2CCC(O)(C(F)(F)F)CC2)s1 ZINC001290361283 1062069845 /nfs/dbraw/zinc/06/98/45/1062069845.db2.gz HCLXUURJIWLNMB-UHFFFAOYSA-N 0 0 472.537 2.724 20 0 JFADRN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CC=CCC2)n1CCCOC1CCOCC1 ZINC001287055373 1062070188 /nfs/dbraw/zinc/07/01/88/1062070188.db2.gz WJGWGSWMJRXKBS-FQEVSTJZSA-N 0 0 477.606 2.939 20 0 JFADRN CCCN(Cc1ccc(F)cc1F)c1nnc(CN2CCCC2=O)n1CCN1CCOC[C@H]1C ZINC001294537984 1062070525 /nfs/dbraw/zinc/07/05/25/1062070525.db2.gz NRWYEBWQHBQAFX-GOSISDBHSA-N 0 0 476.572 2.816 20 0 JFADRN Cc1nc(C)c(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C[C@@H](O)c3ccccc3)CC2)s1 ZINC001290361788 1062070737 /nfs/dbraw/zinc/07/07/37/1062070737.db2.gz ORIQBYGIEJYEFK-OAQYLSRUSA-N 0 0 497.669 2.588 20 0 JFADRN CCCN(Cc1ccc(F)cc1F)c1nnc(CN2CCCC2=O)n1CCN1CCOC[C@@H]1C ZINC001294537985 1062070903 /nfs/dbraw/zinc/07/09/03/1062070903.db2.gz NRWYEBWQHBQAFX-SFHVURJKSA-N 0 0 476.572 2.816 20 0 JFADRN O=C(NCc1csc(CCc2ccccc2)n1)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001294538909 1062071419 /nfs/dbraw/zinc/07/14/19/1062071419.db2.gz PHMVCIFZQGRNHX-LJQANCHMSA-N 0 0 451.552 2.735 20 0 JFADRN COCCOc1ccccc1N1CCN(C(=O)COc2ccc(N3CCCC3=O)cc2)CC1 ZINC001294538982 1062071563 /nfs/dbraw/zinc/07/15/63/1062071563.db2.gz CFAYBKBSZKYSMN-UHFFFAOYSA-N 0 0 453.539 2.566 20 0 JFADRN Cc1nc(C)c(CCn2c(CN3CCCC3=O)nnc2N(C)Cc2ncc(Cl)n2C)s1 ZINC001290366099 1062071922 /nfs/dbraw/zinc/07/19/22/1062071922.db2.gz HPJLZNIINNOWST-UHFFFAOYSA-N 0 0 463.011 2.740 20 0 JFADRN Cc1nc(C)c(CCn2c(CCOc3ccccc3)nnc2N2CCN(C)C(=O)[C@H]2C)s1 ZINC001290366322 1062072488 /nfs/dbraw/zinc/07/24/88/1062072488.db2.gz JEUZJDDNCQEYJZ-QGZVFWFLSA-N 0 0 454.600 2.883 20 0 JFADRN CC(C)(C)OC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCCOC[C@H]2CCOC2)CC1 ZINC001287055814 1062073068 /nfs/dbraw/zinc/07/30/68/1062073068.db2.gz SKMQZGZKYUBMEK-LJQANCHMSA-N 0 0 472.590 2.840 20 0 JFADRN CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CC(F)(F)F)C1 ZINC001287055932 1062073429 /nfs/dbraw/zinc/07/34/29/1062073429.db2.gz ZVGGVICFYPWWGG-XOBRGWDASA-N 0 0 472.512 2.671 20 0 JFADRN CC(C)(C)OC(=O)N1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(F)(F)F)CC1 ZINC001287056030 1062073844 /nfs/dbraw/zinc/07/38/44/1062073844.db2.gz YDSKEZBECBCZSG-UHFFFAOYSA-N 0 0 489.520 2.968 20 0 JFADRN O=C(CN1CCN(C(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)CC1)N1CCCCC1 ZINC001290370117 1062074226 /nfs/dbraw/zinc/07/42/26/1062074226.db2.gz NVTCQIZADROKAC-UHFFFAOYSA-N 0 0 450.370 2.949 20 0 JFADRN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCSCC2)n1CCCN1CCCCC1=O ZINC001287056096 1062074228 /nfs/dbraw/zinc/07/42/28/1062074228.db2.gz AWSOPIFANCITQW-SFHVURJKSA-N 0 0 494.662 2.542 20 0 JFADRN CC(C)(C)OC(=O)N1C[C@H]2CN(c3nnc([C@H]4CCCO4)n3CCS(=O)(=O)C(C)(C)C)C[C@H]2C1 ZINC001287056125 1062074516 /nfs/dbraw/zinc/07/45/16/1062074516.db2.gz BPNAADLEENHSDM-FGTMMUONSA-N 0 0 497.662 2.646 20 0 JFADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCSCC2)n1CC1(O)CCCCC1 ZINC001287056122 1062074606 /nfs/dbraw/zinc/07/46/06/1062074606.db2.gz BOVIAXSOPOLOAC-QGZVFWFLSA-N 0 0 467.636 2.835 20 0 JFADRN Cc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)c2cccc(O)c2)s1 ZINC001290370447 1062074970 /nfs/dbraw/zinc/07/49/70/1062074970.db2.gz AMHXMUYARYHQKW-ZIAGYGMSSA-N 0 0 464.617 2.913 20 0 JFADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCCOCC2)n1Cc1ccc(O)cc1 ZINC001287056219 1062074994 /nfs/dbraw/zinc/07/49/94/1062074994.db2.gz FALIPHSRIXSYJY-LJQANCHMSA-N 0 0 459.547 2.567 20 0 JFADRN CCCN(CC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C ZINC001294549039 1062075034 /nfs/dbraw/zinc/07/50/34/1062075034.db2.gz VHFSQONLXGKGOM-SFHVURJKSA-N 0 0 464.611 2.691 20 0 JFADRN CCCN(CC1CC1)c1nnc(COc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001294548830 1062075100 /nfs/dbraw/zinc/07/51/00/1062075100.db2.gz RAZDQKYFFJEDRI-UHFFFAOYSA-N 0 0 466.579 2.562 20 0 JFADRN CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001294549564 1062075537 /nfs/dbraw/zinc/07/55/37/1062075537.db2.gz ZLVBXAFOHOXWSN-IBGZPJMESA-N 0 0 477.606 2.684 20 0 JFADRN CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCCCC2=O)C1 ZINC001287056363 1062075889 /nfs/dbraw/zinc/07/58/89/1062075889.db2.gz BZOXGUAFIVTHCB-MOPGFXCFSA-N 0 0 476.622 2.678 20 0 JFADRN CC(C)(C)OC(=O)NC1(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@H](C(N)=O)C2)COC1 ZINC001287056437 1062076451 /nfs/dbraw/zinc/07/64/51/1062076451.db2.gz HHYFMLRUNBDJTP-MRXNPFEDSA-N 0 0 490.992 2.594 20 0 JFADRN Cc1nc(C)c(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CCS(C)(=O)=O)s1 ZINC001290372638 1062077132 /nfs/dbraw/zinc/07/71/32/1062077132.db2.gz XOGGTSCQWJRBBT-UHFFFAOYSA-N 0 0 487.449 2.649 20 0 JFADRN Cc1nc(C)c(Cn2c(C(=O)N3CCCC3)nnc2N2CCCN(CC(F)(F)F)CC2)s1 ZINC001290372620 1062077152 /nfs/dbraw/zinc/07/71/52/1062077152.db2.gz WSMUEOKNTYJCKP-UHFFFAOYSA-N 0 0 471.553 2.710 20 0 JFADRN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCSCC2)n1C[C@H]1CCCOC1 ZINC001287056567 1062077373 /nfs/dbraw/zinc/07/73/73/1062077373.db2.gz IMNCDZPIRKDCLR-SJORKVTESA-N 0 0 453.609 2.566 20 0 JFADRN Cc1nc(C)c(Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)s1 ZINC001290373782 1062077586 /nfs/dbraw/zinc/07/75/86/1062077586.db2.gz ANQHNILHGXJWAZ-GFCCVEGCSA-N 0 0 454.526 2.873 20 0 JFADRN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCCOCC2)n1C[C@@H]1OCCC1(C)C ZINC001287056742 1062077733 /nfs/dbraw/zinc/07/77/33/1062077733.db2.gz LBNBAPCXGFEOGQ-ROUUACIJSA-N 0 0 465.595 2.628 20 0 JFADRN Cc1nc(C)c(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)s1 ZINC001290375392 1062077912 /nfs/dbraw/zinc/07/79/12/1062077912.db2.gz NAOJMGKJMOLQSA-KUHUBIRLSA-N 0 0 490.655 2.524 20 0 JFADRN CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001294558640 1062078324 /nfs/dbraw/zinc/07/83/24/1062078324.db2.gz PYPQBAKNHIEFQY-JBYIUTFZSA-N 0 0 453.457 2.867 20 0 JFADRN CCCN(CCC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1NC(=O)CC1(C)C ZINC001294559151 1062078832 /nfs/dbraw/zinc/07/88/32/1062078832.db2.gz GGHXABYPDWGNSL-QGZVFWFLSA-N 0 0 461.636 2.779 20 0 JFADRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)cc1 ZINC001294562302 1062079698 /nfs/dbraw/zinc/07/96/98/1062079698.db2.gz LUTVSVKODVRPGW-CQSZACIVSA-N 0 0 450.561 2.781 20 0 JFADRN Cc1nc(C)c(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](C(N)=O)C2)s1 ZINC001290376942 1062079658 /nfs/dbraw/zinc/07/96/58/1062079658.db2.gz ADKDAURBVVLBCE-HOTGVXAUSA-N 0 0 475.619 2.783 20 0 JFADRN Cc1nc(C)c(Cn2c(N3CCN(C(=O)C(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001290377526 1062079937 /nfs/dbraw/zinc/07/99/37/1062079937.db2.gz HGSKOCURRKBUNH-HSZRJFAPSA-N 0 0 476.647 2.745 20 0 JFADRN Cc1nc(C)c(Cn2c(N3CCN(C(=O)C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001290377527 1062079990 /nfs/dbraw/zinc/07/99/90/1062079990.db2.gz HGSKOCURRKBUNH-QHCPKHFHSA-N 0 0 476.647 2.745 20 0 JFADRN Cc1nc(C)c(Cn2c(N3CCC(CC(N)=O)CC3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001290379247 1062080874 /nfs/dbraw/zinc/08/08/74/1062080874.db2.gz VWINIUDUKPPXMT-JOCHJYFZSA-N 0 0 462.620 2.532 20 0 JFADRN CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCCCCCO)C1 ZINC001287057458 1062081698 /nfs/dbraw/zinc/08/16/98/1062081698.db2.gz OPNVTTBOWPELQF-SFHVURJKSA-N 0 0 464.611 2.560 20 0 JFADRN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1c(Br)nc2n1CCC2 ZINC001294565096 1062082103 /nfs/dbraw/zinc/08/21/03/1062082103.db2.gz WMIHQCCYUORZQF-UHFFFAOYSA-N 0 0 452.784 2.797 20 0 JFADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCC(C4(C)OCCO4)CC3)c2)C1 ZINC001294565665 1062082667 /nfs/dbraw/zinc/08/26/67/1062082667.db2.gz WDBPNBNGPXOGGU-HDICACEKSA-N 0 0 450.601 2.968 20 0 JFADRN CCCN(CCC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001294566341 1062082899 /nfs/dbraw/zinc/08/28/99/1062082899.db2.gz WFZRGOFLMQYTFR-YLJYHZDGSA-N 0 0 463.604 2.841 20 0 JFADRN Cc1nc([C@@H]2CN(c3nnc(-c4ccc(Cl)cc4Cl)n3CCOCCCO)CCO2)no1 ZINC001290381747 1062083226 /nfs/dbraw/zinc/08/32/26/1062083226.db2.gz CJGGWGHFRIVFIE-KRWDZBQOSA-N 0 0 483.356 2.920 20 0 JFADRN Cc1nc(-c2ccc(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CC[C@H](C(C)C)C3)cc2)n[nH]1 ZINC001290381819 1062083250 /nfs/dbraw/zinc/08/32/50/1062083250.db2.gz FJCLRIAUPLKDJH-BEFAXECRSA-N 0 0 472.619 2.512 20 0 JFADRN CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCSC(F)(F)F)C1 ZINC001287057963 1062083815 /nfs/dbraw/zinc/08/38/15/1062083815.db2.gz BNIOXNHGURJDKI-ZDUSSCGKSA-N 0 0 478.541 2.871 20 0 JFADRN CCCN(CCC)S(=O)(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccco2)CC1 ZINC001294571348 1062083924 /nfs/dbraw/zinc/08/39/24/1062083924.db2.gz BLJMNROVFHGVEO-UHFFFAOYSA-N 0 0 466.652 2.997 20 0 JFADRN CCCN(CCC)S(=O)(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CC[C@H](F)C2)CC1 ZINC001294571382 1062084119 /nfs/dbraw/zinc/08/41/19/1062084119.db2.gz CJFNYYQHKJTVHG-PMACEKPBSA-N 0 0 495.669 2.911 20 0 JFADRN CC(C)(C)OC(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCCCO)CC1 ZINC001287058183 1062084203 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CIQHLQFIYDUUCG-HNNXBMFYSA-N 0 0 456.410 2.739 20 0 JFADRN CC(C)[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCNC(=O)c2ccn[nH]2)C1 ZINC001287252723 1062735204 /nfs/dbraw/zinc/73/52/04/1062735204.db2.gz HPBKESWOKPHTCI-AWEZNQCLSA-N 0 0 475.395 2.682 20 0 JFADRN CC(C)[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC001287252680 1062735225 /nfs/dbraw/zinc/73/52/25/1062735225.db2.gz GHOSZAPZYYVIOC-NVXWUHKLSA-N 0 0 499.479 2.952 20 0 JFADRN CCCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC([C@H]3CC3(F)F)CC2)cn1 ZINC001294949521 1062735472 /nfs/dbraw/zinc/73/54/72/1062735472.db2.gz NLIMIUWSTVHJFV-MAUKXSAKSA-N 0 0 498.600 2.992 20 0 JFADRN CCCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC([C@@H]3CC3(F)F)CC2)cn1 ZINC001294949523 1062736120 /nfs/dbraw/zinc/73/61/20/1062736120.db2.gz NLIMIUWSTVHJFV-YJBOKZPZSA-N 0 0 498.600 2.992 20 0 JFADRN CCCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@H](C(=O)OC)C2)cn1 ZINC001294949884 1062736145 /nfs/dbraw/zinc/73/61/45/1062736145.db2.gz WBKJRQCYQFMHAP-GOSISDBHSA-N 0 0 479.541 2.547 20 0 JFADRN CC(C)[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCNS(C)(=O)=O)C1 ZINC001287253259 1062736203 /nfs/dbraw/zinc/73/62/03/1062736203.db2.gz VDPTWWPZPJZOME-MRXNPFEDSA-N 0 0 457.547 2.968 20 0 JFADRN Cc1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001290852109 1062736822 /nfs/dbraw/zinc/73/68/22/1062736822.db2.gz QUFNQCZGORYFCV-PXNSSMCTSA-N 0 0 469.590 2.589 20 0 JFADRN CC(C)[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCCCCS(C)(=O)=O)C1 ZINC001287258867 1062737337 /nfs/dbraw/zinc/73/73/37/1062737337.db2.gz PMXNKGDUZAKBLI-SFHVURJKSA-N 0 0 486.642 2.889 20 0 JFADRN Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1Cc1nccn1C(F)F ZINC001290852712 1062737341 /nfs/dbraw/zinc/73/73/41/1062737341.db2.gz YLUIROKDQBBWSP-UHFFFAOYSA-N 0 0 453.856 2.981 20 0 JFADRN Cc1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001290853161 1062738217 /nfs/dbraw/zinc/73/82/17/1062738217.db2.gz YUMWNCBWSYRUEL-GOSISDBHSA-N 0 0 453.465 2.555 20 0 JFADRN Cc1nnc(N2CCN([C@H](C)c3ccsc3)CC2)n1Cc1ccccc1S(=O)(=O)N(C)C ZINC001290856182 1062739226 /nfs/dbraw/zinc/73/92/26/1062739226.db2.gz BWBFTBNJAVLLTA-QGZVFWFLSA-N 0 0 474.656 2.830 20 0 JFADRN O=C(CNC(=O)OCC(F)(F)F)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC001294954171 1062739677 /nfs/dbraw/zinc/73/96/77/1062739677.db2.gz MXMRGORDAABVRW-UHFFFAOYSA-N 0 0 452.271 2.818 20 0 JFADRN CCCOc1ccc(Cn2c(-c3ccc(CC)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)cn1 ZINC001294954084 1062739720 /nfs/dbraw/zinc/73/97/20/1062739720.db2.gz SOJKCOOEXJGEIX-NRFANRHFSA-N 0 0 464.570 2.691 20 0 JFADRN Cc1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001290856496 1062739982 /nfs/dbraw/zinc/73/99/82/1062739982.db2.gz GRAVEAHIYNOISX-QGZVFWFLSA-N 0 0 453.616 2.871 20 0 JFADRN CC(C)[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001287265291 1062740260 /nfs/dbraw/zinc/74/02/60/1062740260.db2.gz LBRXBDLIEQXERK-MSOLQXFVSA-N 0 0 497.662 2.646 20 0 JFADRN Cc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1Cc1ccc(OC(C)C)cc1 ZINC001290856678 1062740601 /nfs/dbraw/zinc/74/06/01/1062740601.db2.gz IIYLERSAHMBMDU-LJQANCHMSA-N 0 0 454.619 2.991 20 0 JFADRN CC(C)[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCC(F)(F)F)C1 ZINC001287265368 1062740612 /nfs/dbraw/zinc/74/06/12/1062740612.db2.gz MHKILFAQMPCBDD-RHSMWYFYSA-N 0 0 453.465 2.951 20 0 JFADRN Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001290857129 1062741063 /nfs/dbraw/zinc/74/10/63/1062741063.db2.gz LNDIQFFVFLUVCI-UXHICEINSA-N 0 0 453.635 2.681 20 0 JFADRN CCCOc1ccc(Cn2c(-c3cnccn3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001294959025 1062741327 /nfs/dbraw/zinc/74/13/27/1062741327.db2.gz YCRJZJNVUCQBCP-GOSISDBHSA-N 0 0 456.572 2.586 20 0 JFADRN Cc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1CCc1nc(C(F)(F)F)cs1 ZINC001290857584 1062741599 /nfs/dbraw/zinc/74/15/99/1062741599.db2.gz NSIHYYPMOMRTMJ-CQSZACIVSA-N 0 0 485.580 2.874 20 0 JFADRN CCCOc1ccc(Cn2c(-c3cnccn3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC001294959029 1062741734 /nfs/dbraw/zinc/74/17/34/1062741734.db2.gz YCRJZJNVUCQBCP-SFHVURJKSA-N 0 0 456.572 2.586 20 0 JFADRN CC(C)[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)OC(C)(C)C)C1 ZINC001287265800 1062742285 /nfs/dbraw/zinc/74/22/85/1062742285.db2.gz WCVTURVIALJOMK-IRXDYDNUSA-N 0 0 455.625 2.577 20 0 JFADRN Cc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@H](c1ccccc1)N1CCOCC1 ZINC001290858971 1062742694 /nfs/dbraw/zinc/74/26/94/1062742694.db2.gz YDLWVHHQWIFUDA-FXAWDEMLSA-N 0 0 452.525 2.733 20 0 JFADRN CC(C)[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C(F)(F)F)C1 ZINC001287265901 1062742805 /nfs/dbraw/zinc/74/28/05/1062742805.db2.gz YCQLNXHUSKRFSC-LSDHHAIUSA-N 0 0 467.558 2.682 20 0 JFADRN CCCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cn1 ZINC001294962242 1062743886 /nfs/dbraw/zinc/74/38/86/1062743886.db2.gz KFTMCOOIEWNGIL-UHFFFAOYSA-N 0 0 499.641 2.741 20 0 JFADRN C[C@H](C(=O)N1CCC2(C=Cc3ccccc3O2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001287268069 1062744280 /nfs/dbraw/zinc/74/42/80/1062744280.db2.gz RTZQASTVGMIQOM-GOSISDBHSA-N 0 0 455.555 2.921 20 0 JFADRN CCCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CNS(C)(=O)=O)CC2)cn1 ZINC001294962766 1062744370 /nfs/dbraw/zinc/74/43/70/1062744370.db2.gz OCGQBPSKPACJSO-FQEVSTJZSA-N 0 0 492.646 2.517 20 0 JFADRN CC(C)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001287268188 1062744416 /nfs/dbraw/zinc/74/44/16/1062744416.db2.gz NQQLPHALPRDKJY-FQEVSTJZSA-N 0 0 470.593 2.756 20 0 JFADRN O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC001290861691 1062745254 /nfs/dbraw/zinc/74/52/54/1062745254.db2.gz YBLWZGCWZKFYFE-UHFFFAOYSA-N 0 0 458.927 2.708 20 0 JFADRN CCN(CC)S(=O)(=O)c1cc(C(=O)NCCNC(=O)c2ccccc2Cl)ccc1F ZINC001290862431 1062745762 /nfs/dbraw/zinc/74/57/62/1062745762.db2.gz MJKCQYSFUJAKCL-UHFFFAOYSA-N 0 0 455.939 2.669 20 0 JFADRN CCCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCC[C@@H](C(N)=O)C2)cc1OC ZINC001294964577 1062745983 /nfs/dbraw/zinc/74/59/83/1062745983.db2.gz ICDQUHQEGWJKIU-LJQANCHMSA-N 0 0 464.570 2.811 20 0 JFADRN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC001294964132 1062746077 /nfs/dbraw/zinc/74/60/77/1062746077.db2.gz KLWNWDCDUJZEJG-HKUYNNGSSA-N 0 0 452.598 2.742 20 0 JFADRN CC(C)[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001287271731 1062746241 /nfs/dbraw/zinc/74/62/41/1062746241.db2.gz UEYKEAKHOHLSOT-KKSFZXQISA-N 0 0 469.007 2.542 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccnc2OCC(F)F)CCO1 ZINC001287273609 1062746613 /nfs/dbraw/zinc/74/66/13/1062746613.db2.gz CJHVEPVOOJJMIR-KRWDZBQOSA-N 0 0 487.511 2.874 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2nccc(C(F)F)n2)CCS1 ZINC001287273631 1062746757 /nfs/dbraw/zinc/74/67/57/1062746757.db2.gz CTSRPSCAUQFSSI-HNNXBMFYSA-N 0 0 451.547 2.868 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2nccc(C(F)F)n2)CCS1 ZINC001287273632 1062746787 /nfs/dbraw/zinc/74/67/87/1062746787.db2.gz CTSRPSCAUQFSSI-OAHLLOKOSA-N 0 0 451.547 2.868 20 0 JFADRN Cc1nnc(N2CCN(c3ncc(F)cn3)CC2)n1Cc1ccccc1OCC(F)(F)F ZINC001290863281 1062747054 /nfs/dbraw/zinc/74/70/54/1062747054.db2.gz ODHFSDHVSLMWHG-UHFFFAOYSA-N 0 0 451.428 2.832 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CCO1 ZINC001287274222 1062747924 /nfs/dbraw/zinc/74/79/24/1062747924.db2.gz LFCDALGAVLKDTN-IAGOWNOFSA-N 0 0 473.578 2.700 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCSC2)CCO1 ZINC001287274286 1062748456 /nfs/dbraw/zinc/74/84/56/1062748456.db2.gz MTULVOPRVVBRLU-CRAIPNDOSA-N 0 0 456.410 2.765 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC(=O)N2)CCS1 ZINC001287274431 1062749480 /nfs/dbraw/zinc/74/94/80/1062749480.db2.gz PSFKVRFFRQAXIS-GDBMZVCRSA-N 0 0 467.437 2.903 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)c2ccccc2)CCS1 ZINC001287274412 1062749502 /nfs/dbraw/zinc/74/95/02/1062749502.db2.gz PJJRSRSOKKZERF-LJQANCHMSA-N 0 0 477.656 2.566 20 0 JFADRN CCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](C(=O)OC)C2)cc1OC ZINC001294968083 1062749624 /nfs/dbraw/zinc/74/96/24/1062749624.db2.gz FDKIKNFMYYWNNN-IBGZPJMESA-N 0 0 485.585 2.636 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(=O)(=O)N(C)C)CCS1 ZINC001287274593 1062750651 /nfs/dbraw/zinc/75/06/51/1062750651.db2.gz SFYAKDOQUJFJKF-HNNXBMFYSA-N 0 0 491.481 2.505 20 0 JFADRN CCCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)cn1 ZINC001294969049 1062751193 /nfs/dbraw/zinc/75/11/93/1062751193.db2.gz SITPXOTWXQAWAT-QFIPXVFZSA-N 0 0 480.617 2.676 20 0 JFADRN Cc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1Cc1cc(COC(C)(C)C)on1 ZINC001290869131 1062752828 /nfs/dbraw/zinc/75/28/28/1062752828.db2.gz CYMCZRDJVJTPQD-UHFFFAOYSA-N 0 0 487.649 2.755 20 0 JFADRN Cc1c(C(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)cnn1CCO[C@@H]1CCCCO1 ZINC001290869213 1062752850 /nfs/dbraw/zinc/75/28/50/1062752850.db2.gz HMRLJHZLYGPBIR-DNQXCXABSA-N 0 0 456.587 2.846 20 0 JFADRN 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CCCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(S(=O)(=O)CC)CC2)cn1 ZINC001294972540 1062755253 /nfs/dbraw/zinc/75/52/53/1062755253.db2.gz VTEQFGQSQUTKJW-LJQANCHMSA-N 0 0 463.604 2.765 20 0 JFADRN Cc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001290870303 1062755555 /nfs/dbraw/zinc/75/55/55/1062755555.db2.gz RKBFINTWZMCYBW-VNMGMYBJSA-N 0 0 460.667 2.999 20 0 JFADRN Cc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001290870305 1062755682 /nfs/dbraw/zinc/75/56/82/1062755682.db2.gz RKBFINTWZMCYBW-VWDUAXENSA-N 0 0 460.667 2.999 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(-c3cccn3C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CCO1 ZINC001287279916 1062755776 /nfs/dbraw/zinc/75/57/76/1062755776.db2.gz FCZIRHDHOROSHU-RBUKOAKNSA-N 0 0 470.540 2.798 20 0 JFADRN Cc1nnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1CCOc1ccc(Cl)cn1 ZINC001290870634 1062756104 /nfs/dbraw/zinc/75/61/04/1062756104.db2.gz WCHQHIHVDNIYAL-UHFFFAOYSA-N 0 0 473.940 2.614 20 0 JFADRN COc1cc(N2C[C@@H](C(=O)N3CC[C@H](N(C)c4ccccc4)C3)CC2=O)cc(OC)c1OC ZINC001287281888 1062757515 /nfs/dbraw/zinc/75/75/15/1062757515.db2.gz AZWIQEYUOMJHNR-HKUYNNGSSA-N 0 0 453.539 2.803 20 0 JFADRN CCCOc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@]3(CCOC3)C2)c1 ZINC001294973685 1062757731 /nfs/dbraw/zinc/75/77/31/1062757731.db2.gz UWQPOPCRCQYXAK-JPYJTQIMSA-N 0 0 477.631 2.537 20 0 JFADRN CCCOc1ncccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001294973965 1062757994 /nfs/dbraw/zinc/75/79/94/1062757994.db2.gz IUULVWQREBJAOH-IAGOWNOFSA-N 0 0 451.531 2.771 20 0 JFADRN CCCOc1ncccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001294974318 1062759061 /nfs/dbraw/zinc/75/90/61/1062759061.db2.gz PAIFCJZUHXAWOW-KRWDZBQOSA-N 0 0 487.605 2.706 20 0 JFADRN COc1cc(N)c(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1S(C)(=O)=O ZINC001290875473 1062759493 /nfs/dbraw/zinc/75/94/93/1062759493.db2.gz MERGUJOKJAMESX-GOSISDBHSA-N 0 0 451.976 2.901 20 0 JFADRN CC(C)[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)CCS1 ZINC001287286674 1062760733 /nfs/dbraw/zinc/76/07/33/1062760733.db2.gz HTLHAWTZWHWMNB-PKOBYXMFSA-N 0 0 450.630 2.706 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)CCS1 ZINC001287286673 1062760775 /nfs/dbraw/zinc/76/07/75/1062760775.db2.gz HTLHAWTZWHWMNB-MJGOQNOKSA-N 0 0 450.630 2.706 20 0 JFADRN CC(C)[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(CS(C)(=O)=O)c2)CCO1 ZINC001287287462 1062761855 /nfs/dbraw/zinc/76/18/55/1062761855.db2.gz MXKBGOFAYZOABE-NHCUHLMSSA-N 0 0 462.616 2.626 20 0 JFADRN CCCOc1ncccc1Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 ZINC001294978620 1062761972 /nfs/dbraw/zinc/76/19/72/1062761972.db2.gz RSJLSIOTYOWNPG-GOSISDBHSA-N 0 0 474.587 2.597 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCn2ccnn2)CCO1 ZINC001287287925 1062762402 /nfs/dbraw/zinc/76/24/02/1062762402.db2.gz OYDDDSKIKTYEBO-FQEVSTJZSA-N 0 0 488.637 2.936 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC(F)F)CCO1 ZINC001287288199 1062763029 /nfs/dbraw/zinc/76/30/29/1062763029.db2.gz QSTZBUUECYFYGV-GOSISDBHSA-N 0 0 465.549 2.595 20 0 JFADRN Cc1nnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)n1Cc1ccccc1OC1CCCC1 ZINC001290878329 1062763289 /nfs/dbraw/zinc/76/32/89/1062763289.db2.gz GGVCZJKSDJOLNM-UHFFFAOYSA-N 0 0 491.658 2.833 20 0 JFADRN COc1cc(C[C@@H](CO)CNC(=O)c2nn(C(C)(C)C)cc2Br)cc(OC)c1 ZINC001294980590 1062763437 /nfs/dbraw/zinc/76/34/37/1062763437.db2.gz VKGCCHMQJFDTJN-CQSZACIVSA-N 0 0 454.365 2.999 20 0 JFADRN COc1cc(C[C@H](CO)CNC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc(OC)c1 ZINC001294980207 1062763486 /nfs/dbraw/zinc/76/34/86/1062763486.db2.gz PDYNHEAJALDHOA-REWPJTCUSA-N 0 0 456.539 2.772 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 ZINC001287292067 1062765090 /nfs/dbraw/zinc/76/50/90/1062765090.db2.gz KJMVHTPCUFYFMM-DENIHFKCSA-N 0 0 466.561 2.608 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(Cc3cccnc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CCO1 ZINC001287292432 1062765555 /nfs/dbraw/zinc/76/55/55/1062765555.db2.gz NQXGQZMLOPUMDN-WOJBJXKFSA-N 0 0 482.551 2.778 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCOC2CCOCC2)CCO1 ZINC001287295327 1062766915 /nfs/dbraw/zinc/76/69/15/1062766915.db2.gz AGLOCSJSPKGXCT-LJQANCHMSA-N 0 0 477.631 2.717 20 0 JFADRN Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1Cc1cc(COC(C)(C)C)on1 ZINC001290888412 1062766920 /nfs/dbraw/zinc/76/69/20/1062766920.db2.gz UMNXPLAWUMIIQQ-SFHVURJKSA-N 0 0 464.567 2.668 20 0 JFADRN Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(OCC2CC2)nc1 ZINC001290888571 1062767687 /nfs/dbraw/zinc/76/76/87/1062767687.db2.gz WOHAEOACHJOSJP-IBGZPJMESA-N 0 0 458.563 2.549 20 0 JFADRN Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1Cc1cccc(Br)n1 ZINC001290888616 1062767705 /nfs/dbraw/zinc/76/77/05/1062767705.db2.gz XGECQVKZGBBACL-OAHLLOKOSA-N 0 0 467.368 2.522 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(C)COCCO2)CCS1 ZINC001287295699 1062767864 /nfs/dbraw/zinc/76/78/64/1062767864.db2.gz IYZMJYGRLDFBDA-UWJYYQICSA-N 0 0 465.645 2.653 20 0 JFADRN CCCOc1ncccc1Cn1c(C2CC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001294983124 1062768384 /nfs/dbraw/zinc/76/83/84/1062768384.db2.gz FNIDTKGXWODTMS-HNNXBMFYSA-N 0 0 452.481 2.892 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCS(=O)(=O)N(C)C)CCS1 ZINC001287295948 1062768569 /nfs/dbraw/zinc/76/85/69/1062768569.db2.gz NIYSJIQWDBPJPQ-IBGZPJMESA-N 0 0 451.662 2.533 20 0 JFADRN CCCOc1ncccc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCOC ZINC001294983402 1062769036 /nfs/dbraw/zinc/76/90/36/1062769036.db2.gz IDACCGLTQFWFJF-IBGZPJMESA-N 0 0 490.605 2.901 20 0 JFADRN Cc1nnc(N2CCOC3(CCOCC3)C2)n1Cc1ccc(I)cc1 ZINC001290893495 1062769676 /nfs/dbraw/zinc/76/96/76/1062769676.db2.gz MUYHBBRLBFDKRO-UHFFFAOYSA-N 0 0 454.312 2.625 20 0 JFADRN CCCOc1ncccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001294983691 1062769680 /nfs/dbraw/zinc/76/96/80/1062769680.db2.gz JPIIIXYSDMHTTC-GOSISDBHSA-N 0 0 485.589 2.518 20 0 JFADRN O=C(CCNS(=O)(=O)c1ccccc1Cl)NCCOc1ccc(C(F)(F)F)cn1 ZINC001294984854 1062770251 /nfs/dbraw/zinc/77/02/51/1062770251.db2.gz JLLXGXQQIIQYQG-UHFFFAOYSA-N 0 0 451.854 2.617 20 0 JFADRN COc1cc(OC)cc(N2CCCN(C(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CCO4)CC2)c1 ZINC001294985276 1062770981 /nfs/dbraw/zinc/77/09/81/1062770981.db2.gz RDDSHIFJMSGZSG-AVRWGWEMSA-N 0 0 475.586 2.769 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(COc3ccccc3F)n2CC2(CS(C)(=O)=O)CC2)CCO1 ZINC001287298755 1062771721 /nfs/dbraw/zinc/77/17/21/1062771721.db2.gz HGNGFURUBXMJKZ-LJQANCHMSA-N 0 0 466.579 2.682 20 0 JFADRN Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCOc2ccc(C(F)(F)F)cn2)C(C)C)cc1 ZINC001294985742 1062772182 /nfs/dbraw/zinc/77/21/82/1062772182.db2.gz VQEKGOWAZZTHBM-SFHVURJKSA-N 0 0 459.490 2.907 20 0 JFADRN CCCOc1ncccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001294986114 1062772561 /nfs/dbraw/zinc/77/25/61/1062772561.db2.gz WUUVBMCMBCOITB-NVXWUHKLSA-N 0 0 469.558 2.894 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CCCn2cnnn2)CCO1 ZINC001287299113 1062772772 /nfs/dbraw/zinc/77/27/72/1062772772.db2.gz MZDYVXSDKZVARW-SFHVURJKSA-N 0 0 491.394 2.558 20 0 JFADRN Cc1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)c1ccccc1F ZINC001290901103 1062772919 /nfs/dbraw/zinc/77/29/19/1062772919.db2.gz XOHLKBMNQNZJNG-AZUAARDMSA-N 0 0 472.565 2.895 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCN2CCOC(C)(C)C2)CCO1 ZINC001287299364 1062773297 /nfs/dbraw/zinc/77/32/97/1062773297.db2.gz SLWIIYRVPLPASX-NRFANRHFSA-N 0 0 461.582 2.968 20 0 JFADRN CCCO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2nccc(C(F)F)n2)CC1 ZINC001294986514 1062773664 /nfs/dbraw/zinc/77/36/64/1062773664.db2.gz GRXPLYFUYZYDNN-OAHLLOKOSA-N 0 0 451.522 2.978 20 0 JFADRN CCCO[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2nccc(C(F)F)n2)CC1 ZINC001294986512 1062773791 /nfs/dbraw/zinc/77/37/91/1062773791.db2.gz GRXPLYFUYZYDNN-HNNXBMFYSA-N 0 0 451.522 2.978 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2cn[nH]c2)CCO1 ZINC001287299721 1062773914 /nfs/dbraw/zinc/77/39/14/1062773914.db2.gz ZJZPCFZVQZJIJN-OTWHNJEPSA-N 0 0 459.595 2.876 20 0 JFADRN Cc1noc([C@H](C)N2CCN(c3nnc(C(C)C)n3CC(=O)N(C)C3CCCCC3)CC2)n1 ZINC001290902281 1062774563 /nfs/dbraw/zinc/77/45/63/1062774563.db2.gz IEOIFUNPDCDDQN-KRWDZBQOSA-N 0 0 458.611 2.767 20 0 JFADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001287304267 1062774567 /nfs/dbraw/zinc/77/45/67/1062774567.db2.gz CAGZWLJPHWPUPI-GGPKGHCWSA-N 0 0 480.535 2.830 20 0 JFADRN Cc1noc([C@@H](C)N2CCN(c3nnc(C)n3Cc3ccc(OCC(F)(F)F)nc3)CC2)n1 ZINC001290902471 1062775070 /nfs/dbraw/zinc/77/50/70/1062775070.db2.gz KKKKKGPDQVXIGI-CYBMUJFWSA-N 0 0 466.468 2.546 20 0 JFADRN CCCO[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCS(=O)(=O)c2ccccc2)CC1 ZINC001294987162 1062775095 /nfs/dbraw/zinc/77/50/95/1062775095.db2.gz NDOWBRIRMVMTSW-IBGZPJMESA-N 0 0 477.631 2.676 20 0 JFADRN CC(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001287304300 1062775196 /nfs/dbraw/zinc/77/51/96/1062775196.db2.gz CJQAPPJUGQIZKP-JTHBVZDNSA-N 0 0 456.635 2.872 20 0 JFADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001287304297 1062775259 /nfs/dbraw/zinc/77/52/59/1062775259.db2.gz CJQAPPJUGQIZKP-FYYLOGMGSA-N 0 0 456.635 2.872 20 0 JFADRN Cc1noc([C@H](C)N2CCN(c3nnc(Cc4ccncc4)n3CC(F)(F)Br)CC2)n1 ZINC001290902433 1062775129 /nfs/dbraw/zinc/77/51/29/1062775129.db2.gz JWNICJQFKMTKLL-ZDUSSCGKSA-N 0 0 497.348 2.826 20 0 JFADRN Cc1noc([C@@H](C)N2CCN(c3nnc(C(C)(C)C)n3CCn3cc(Br)cn3)CC2)n1 ZINC001290902575 1062775911 /nfs/dbraw/zinc/77/59/11/1062775911.db2.gz MDUKOSAZROGTSA-CQSZACIVSA-N 0 0 492.426 2.809 20 0 JFADRN Cc1noc([C@H](C)N2CCN(c3nnc(CC(C)C)n3CC(=O)N(C)Cc3ccccc3)CC2)n1 ZINC001290902749 1062776926 /nfs/dbraw/zinc/77/69/26/1062776926.db2.gz OFJISYZJCONFFT-IBGZPJMESA-N 0 0 480.617 2.710 20 0 JFADRN 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CCCO[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ncn(C)n2)CC1 ZINC001294990093 1062777994 /nfs/dbraw/zinc/77/79/94/1062777994.db2.gz CBTSTRJUUWILFW-QGZVFWFLSA-N 0 0 455.563 2.925 20 0 JFADRN COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)c2)c1 ZINC001294989778 1062778056 /nfs/dbraw/zinc/77/80/56/1062778056.db2.gz CFUINQDCIGQJPR-WOJBJXKFSA-N 0 0 453.495 2.545 20 0 JFADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001287306774 1062778152 /nfs/dbraw/zinc/77/81/52/1062778152.db2.gz LEUFEYXPEQWNCR-CBZIJGRNSA-N 0 0 459.513 2.838 20 0 JFADRN CCCO[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(OC)CCOC2)CC1 ZINC001294990287 1062778484 /nfs/dbraw/zinc/77/84/84/1062778484.db2.gz DEVPACRYISKMFY-RDPSFJRHSA-N 0 0 492.642 2.940 20 0 JFADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001287306872 1062778580 /nfs/dbraw/zinc/77/85/80/1062778580.db2.gz KWLREUNUBMQHCP-JQVVWYNYSA-N 0 0 474.650 2.593 20 0 JFADRN 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ZINC001295370196 1063335186 /nfs/dbraw/zinc/33/51/86/1063335186.db2.gz JCCHVSLFNPJBNR-KRWDZBQOSA-N 0 0 458.584 2.529 20 0 JFADRN C[C@H]1CN(c2ccc(Cn3c(N(C)CCc4cnccn4)nnc3C(C)(C)C)cn2)CCO1 ZINC001291195713 1063335214 /nfs/dbraw/zinc/33/52/14/1063335214.db2.gz WYLQONPTOFMJDQ-SFHVURJKSA-N 0 0 450.591 2.713 20 0 JFADRN C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)S[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001291195926 1063336541 /nfs/dbraw/zinc/33/65/41/1063336541.db2.gz APBRJFFMZNWZNX-PMPSAXMXSA-N 0 0 452.625 2.758 20 0 JFADRN C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCS2)CCN1C(=O)OC(C)(C)C ZINC001291196286 1063338287 /nfs/dbraw/zinc/33/82/87/1063338287.db2.gz IKHFEWJGNBKFOF-DLBZAZTESA-N 0 0 464.636 2.855 20 0 JFADRN CC[C@H]1CC[C@@H](C(=O)N2CCCN(S(=O)(=O)c3ccc(Br)s3)CC2)O1 ZINC001295371929 1063338484 /nfs/dbraw/zinc/33/84/84/1063338484.db2.gz NBTRAHWFCPPXOA-STQMWFEESA-N 0 0 451.408 2.691 20 0 JFADRN O=C(Cc1cccc(O)c1)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC001295372481 1063338973 /nfs/dbraw/zinc/33/89/73/1063338973.db2.gz SMIGRGAEZCPMKA-UHFFFAOYSA-N 0 0 459.387 2.682 20 0 JFADRN C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC(C)(C)C)C[C@H](c2ccsc2)O1 ZINC001291196414 1063338923 /nfs/dbraw/zinc/33/89/23/1063338923.db2.gz LEXPZFOBFSRNHT-SJLPKXTDSA-N 0 0 474.631 2.847 20 0 JFADRN C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCCO1 ZINC001291196875 1063340260 /nfs/dbraw/zinc/34/02/60/1063340260.db2.gz SQTWDMKDNCZKAN-RTBURBONSA-N 0 0 476.622 2.776 20 0 JFADRN C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(N(C)C)c2)C[C@H](C(F)(F)F)O1 ZINC001291196918 1063340323 /nfs/dbraw/zinc/34/03/23/1063340323.db2.gz UEDZZLWEYUUNEC-MAUKXSAKSA-N 0 0 466.508 2.784 20 0 JFADRN C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCCO1 ZINC001291196873 1063340424 /nfs/dbraw/zinc/34/04/24/1063340424.db2.gz SQTWDMKDNCZKAN-OALUTQOASA-N 0 0 476.622 2.776 20 0 JFADRN C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccncc2Cl)C[C@@H](C(F)(F)F)O1 ZINC001291197109 1063341438 /nfs/dbraw/zinc/34/14/38/1063341438.db2.gz XYKKENOOVWQELD-WFASDCNBSA-N 0 0 458.872 2.767 20 0 JFADRN C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC(=O)N1C ZINC001291197328 1063342618 /nfs/dbraw/zinc/34/26/18/1063342618.db2.gz BLOYAHYBZRHBDC-QLFBSQMISA-N 0 0 465.480 2.886 20 0 JFADRN C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCC(=O)N(C)C)C[C@H](c2ccsc2)O1 ZINC001291197263 1063342662 /nfs/dbraw/zinc/34/26/62/1063342662.db2.gz APZNXPZNKLPPRP-FUHWJXTLSA-N 0 0 483.598 2.822 20 0 JFADRN C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2CCOC2)CCN1C(=O)OC(C)(C)C ZINC001291197394 1063343002 /nfs/dbraw/zinc/34/30/02/1063343002.db2.gz DNXRDVCNWDVRFL-QZTJIDSGSA-N 0 0 485.589 2.798 20 0 JFADRN C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)Nc2ccc(F)cc2)CCS1 ZINC001291197624 1063344300 /nfs/dbraw/zinc/34/43/00/1063344300.db2.gz HZIQUNOAOALVHB-AWEZNQCLSA-N 0 0 455.519 2.645 20 0 JFADRN C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C(C)(C)O)cc2)C[C@H](C)O1 ZINC001291198064 1063347253 /nfs/dbraw/zinc/34/72/53/1063347253.db2.gz PEDIVJMYRMSZJI-IRXDYDNUSA-N 0 0 450.543 2.815 20 0 JFADRN C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(CO)c2)C[C@H](C(F)(F)F)O1 ZINC001291198459 1063348794 /nfs/dbraw/zinc/34/87/94/1063348794.db2.gz XHDHLSCLKNMGPI-RHSMWYFYSA-N 0 0 476.459 2.622 20 0 JFADRN C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(COC(C)(C)C)on2)C[C@H](C)O1 ZINC001291198546 1063349134 /nfs/dbraw/zinc/34/91/34/1063349134.db2.gz YROIUIWVIYGXHL-IYBDPMFKSA-N 0 0 469.546 2.890 20 0 JFADRN C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCOC[C@@H]2C)C[C@H]1C ZINC001291199024 1063351121 /nfs/dbraw/zinc/35/11/21/1063351121.db2.gz GNFLAWUKTMZNIX-KSZLIROESA-N 0 0 461.010 2.674 20 0 JFADRN C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCSCCCO)CC(C)(C)O1 ZINC001291199462 1063352903 /nfs/dbraw/zinc/35/29/03/1063352903.db2.gz NVVLNIHPRBIFNZ-MRXNPFEDSA-N 0 0 482.050 2.981 20 0 JFADRN C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCOC(C)(C)C2)CCCO1 ZINC001291199405 1063352976 /nfs/dbraw/zinc/35/29/76/1063352976.db2.gz MTLWRQJQFSQTEQ-GOSISDBHSA-N 0 0 491.036 2.588 20 0 JFADRN C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@H]2COCCO2)CCS1 ZINC001291199559 1063353455 /nfs/dbraw/zinc/35/34/55/1063353455.db2.gz QEOPNUFEKBQWNA-QAPCUYQASA-N 0 0 466.007 2.609 20 0 JFADRN C[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC2(CCOCC2)O1 ZINC001291199464 1063353684 /nfs/dbraw/zinc/35/36/84/1063353684.db2.gz NWQWCQADHSUUSU-IAGOWNOFSA-N 0 0 475.556 2.613 20 0 JFADRN COC(=O)[C@H](CNC(=O)[C@H]1CCCN1c1ncnc2sccc21)Cc1ccccc1OC ZINC001295382637 1063355298 /nfs/dbraw/zinc/35/52/98/1063355298.db2.gz KWDUPMWEWRXNII-FUHWJXTLSA-N 0 0 454.552 2.817 20 0 JFADRN COC(=O)[C@@H](CNC(=O)[C@H]1CCCN1c1ncnc2sccc21)Cc1ccccc1OC ZINC001295382638 1063355351 /nfs/dbraw/zinc/35/53/51/1063355351.db2.gz KWDUPMWEWRXNII-SJLPKXTDSA-N 0 0 454.552 2.817 20 0 JFADRN C[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccccc2S(=O)(=O)N(C)C)C[C@@]2(CCCOC2)O1 ZINC001291200273 1063355622 /nfs/dbraw/zinc/35/56/22/1063355622.db2.gz BSCJXHHLDNPTPZ-MHECFPHRSA-N 0 0 491.658 2.649 20 0 JFADRN CC[C@H](CSc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001295382942 1063355475 /nfs/dbraw/zinc/35/54/75/1063355475.db2.gz GVSZBSXWGPTBDI-HLIPFELVSA-N 0 0 452.573 2.637 20 0 JFADRN C[S@](=O)C1(C(=O)NCC2([C@@H](O)c3ccccc3)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001295383565 1063356648 /nfs/dbraw/zinc/35/66/48/1063356648.db2.gz OCHRNLNHFACTAF-DRKIFQHWSA-N 0 0 450.601 2.765 20 0 JFADRN C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCc2cccc(C(N)=O)c2)CCN1CC(F)(F)F ZINC001291201011 1063356728 /nfs/dbraw/zinc/35/67/28/1063356728.db2.gz OJARYPLAEXCGNK-OAHLLOKOSA-N 0 0 452.525 2.990 20 0 JFADRN C[C@H]1OCC[C@]12CN(c1nnc(C(C)(C)C)n1CCCNC(=O)c1cccc(O)c1)C[C@@H](C)O2 ZINC001291201803 1063357868 /nfs/dbraw/zinc/35/78/68/1063357868.db2.gz BIJKPEBHXZHHIN-GAKIBJFNSA-N 0 0 471.602 2.874 20 0 JFADRN C[C@H]1OCC[C@@]12CN(c1nnc(C(C)(C)C)n1CCCNC(=O)c1cccc(O)c1)C[C@@H](C)O2 ZINC001291201804 1063358044 /nfs/dbraw/zinc/35/80/44/1063358044.db2.gz BIJKPEBHXZHHIN-QJMRKGMQSA-N 0 0 471.602 2.874 20 0 JFADRN CC(C)c1nnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001291203591 1063359908 /nfs/dbraw/zinc/35/99/08/1063359908.db2.gz GWYZOCTXHZHRDR-NUJGCVRESA-N 0 0 453.634 2.711 20 0 JFADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1CCc1ccc(F)c(F)c1F ZINC001291204807 1063360302 /nfs/dbraw/zinc/36/03/02/1063360302.db2.gz ABBIAEXUJTWTDT-IGCXYCKISA-N 0 0 487.548 2.552 20 0 JFADRN COc1ccc(C2(C(=O)N3CCN(CCOc4cccc(OC)c4)CC3)CCOCC2)cc1 ZINC001295384879 1063360405 /nfs/dbraw/zinc/36/04/05/1063360405.db2.gz QTXUQNQZWQZMBG-UHFFFAOYSA-N 0 0 454.567 2.975 20 0 JFADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1Cc1ccc(-n2cccn2)cc1 ZINC001291204892 1063360885 /nfs/dbraw/zinc/36/08/85/1063360885.db2.gz BJGCRGXCPYJKCO-MSOLQXFVSA-N 0 0 471.631 2.995 20 0 JFADRN CC1(C)C[C@@H](NC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)c2ccc(F)cc2O1 ZINC001295385409 1063361446 /nfs/dbraw/zinc/36/14/46/1063361446.db2.gz VJNVNWRRJNZEOY-IAGOWNOFSA-N 0 0 456.923 2.537 20 0 JFADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1Cc1cccc(C2OCCO2)c1 ZINC001291204922 1063361519 /nfs/dbraw/zinc/36/15/19/1063361519.db2.gz BPWLDFJRPHZTHQ-IRXDYDNUSA-N 0 0 477.631 2.854 20 0 JFADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1Cc1ccc(OC2CCCC2)cc1 ZINC001291204959 1063361737 /nfs/dbraw/zinc/36/17/37/1063361737.db2.gz BYNVLURWZVBWQY-QZTJIDSGSA-N 0 0 477.631 2.873 20 0 JFADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@@H](C)C2)n1Cc1ccc(OC2CCCC2)cc1 ZINC001291204961 1063361841 /nfs/dbraw/zinc/36/18/41/1063361841.db2.gz BYNVLURWZVBWQY-ZWKOTPCHSA-N 0 0 477.631 2.873 20 0 JFADRN COc1cccc(OCCN2CCN(C(=O)[C@@H]3CCN(c4cc(C)cc(C)c4)C3=O)CC2)c1 ZINC001295386595 1063362839 /nfs/dbraw/zinc/36/28/39/1063362839.db2.gz VGWKUDAQXPNLKW-DEOSSOPVSA-N 0 0 451.567 2.888 20 0 JFADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001291205849 1063365965 /nfs/dbraw/zinc/36/59/65/1063365965.db2.gz OWPBKJGEDZPZBW-SACAXFFCSA-N 0 0 477.631 2.670 20 0 JFADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1Cc1cc(C2CC2)ccc1F ZINC001291206004 1063367185 /nfs/dbraw/zinc/36/71/85/1063367185.db2.gz QTGIYZGXJLAGLU-LSDHHAIUSA-N 0 0 465.595 2.957 20 0 JFADRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1C[C@](C)(O)C1CCCCC1 ZINC001291206661 1063370589 /nfs/dbraw/zinc/37/05/89/1063370589.db2.gz ZWBSRABUGCZOSK-QOIOWGMHSA-N 0 0 459.682 2.550 20 0 JFADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CC1CCC(F)(F)CC1 ZINC001291206642 1063370612 /nfs/dbraw/zinc/37/06/12/1063370612.db2.gz ZNPJLJILTBJHSQ-BZPMIXESSA-N 0 0 489.511 2.870 20 0 JFADRN CC(C)c1nnc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001291206670 1063370698 /nfs/dbraw/zinc/37/06/98/1063370698.db2.gz ZZJWABSVOBIRBN-HOYKHHGWSA-N 0 0 459.566 2.674 20 0 JFADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CC1CCC(F)(F)CC1 ZINC001291206645 1063370719 /nfs/dbraw/zinc/37/07/19/1063370719.db2.gz 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JFADRN CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCCO2)n1Cc1nc2cccc(Cl)c2n1C ZINC001295881427 1063926670 /nfs/dbraw/zinc/92/66/70/1063926670.db2.gz MQVWGSGWOSCMPQ-KRWDZBQOSA-N 0 0 481.022 2.979 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001291383723 1063927052 /nfs/dbraw/zinc/92/70/52/1063927052.db2.gz ORKSGQJGNYSBKV-OWFNMBEASA-N 0 0 460.554 2.568 20 0 JFADRN CC[C@@H](C)[C@](C)(O)Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001291384011 1063927444 /nfs/dbraw/zinc/92/74/44/1063927444.db2.gz RNPXQPCSSRFCGV-VGOFRKELSA-N 0 0 467.611 2.849 20 0 JFADRN CC[C@H](C)[C@@](C)(O)Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001291384010 1063927472 /nfs/dbraw/zinc/92/74/72/1063927472.db2.gz RNPXQPCSSRFCGV-JTSKRJEESA-N 0 0 467.611 2.849 20 0 JFADRN CC[C@H](C)[C@@](C)(O)Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 ZINC001291384092 1063927493 /nfs/dbraw/zinc/92/74/93/1063927493.db2.gz SPOIJTFSODFEFK-SVMVAKDDSA-N 0 0 479.622 2.801 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C)n2)n1Cc1cccc(N2CCCC2=O)c1 ZINC001295882001 1063928678 /nfs/dbraw/zinc/92/86/78/1063928678.db2.gz XAYZYEAEWMVRKX-UHFFFAOYSA-N 0 0 482.610 2.695 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCOC2)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 ZINC001295882082 1063929137 /nfs/dbraw/zinc/92/91/37/1063929137.db2.gz WCTFQXUBRINTJK-YQVWRLOYSA-N 0 0 462.616 2.976 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCCO2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001295882257 1063929494 /nfs/dbraw/zinc/92/94/94/1063929494.db2.gz YWFCUVLFBUZIPA-KRWDZBQOSA-N 0 0 481.585 2.665 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(-c2noc3c2COCC3)n1C1CC(C(C)(C)C)C1 ZINC001295882283 1063929517 /nfs/dbraw/zinc/92/95/17/1063929517.db2.gz ZEDXZSXSAYMQIJ-UHFFFAOYSA-N 0 0 451.593 2.874 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCOC2)n1CC1(c2ccc(F)cc2F)CC1 ZINC001295884391 1063930216 /nfs/dbraw/zinc/93/02/16/1063930216.db2.gz AKTAFNUYXBBEHY-HNNXBMFYSA-N 0 0 454.543 2.663 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(C2CCCC2)n1CC1(N2CCOCC2)CCCCC1 ZINC001295882338 1063930231 /nfs/dbraw/zinc/93/02/31/1063930231.db2.gz ZWDRHCSGMKZMHE-UHFFFAOYSA-N 0 0 467.680 2.842 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCSC1 ZINC001295884483 1063930526 /nfs/dbraw/zinc/93/05/26/1063930526.db2.gz CEAZVBBRXBBXRI-APWZRJJASA-N 0 0 466.629 2.805 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCSC1 ZINC001295884485 1063930552 /nfs/dbraw/zinc/93/05/52/1063930552.db2.gz CEAZVBBRXBBXRI-QFBILLFUSA-N 0 0 466.629 2.805 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCSC1 ZINC001295884484 1063930618 /nfs/dbraw/zinc/93/06/18/1063930618.db2.gz CEAZVBBRXBBXRI-LPHOPBHVSA-N 0 0 466.629 2.805 20 0 JFADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001291385783 1063931239 /nfs/dbraw/zinc/93/12/39/1063931239.db2.gz PVDNYRNJQKIZLZ-JKSBSHDWSA-N 0 0 495.466 2.991 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(Cc2cn3ccccc3n2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001295884849 1063931475 /nfs/dbraw/zinc/93/14/75/1063931475.db2.gz BNUMEQBVEYJDNA-RTBURBONSA-N 0 0 474.631 2.593 20 0 JFADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cc(C)on1 ZINC001291386104 1063931627 /nfs/dbraw/zinc/93/16/27/1063931627.db2.gz UGWPOZSYSSACOO-WAIKUNEKSA-N 0 0 490.630 2.925 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(Cc2csc(C)n2)n1Cc1ccc(F)cc1F ZINC001295885379 1063931749 /nfs/dbraw/zinc/93/17/49/1063931749.db2.gz GTMJJCPTTSDZCL-UHFFFAOYSA-N 0 0 455.556 2.831 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(Cc2ccsc2)n1Cc1ccc(OC)c(F)c1 ZINC001295885488 1063932240 /nfs/dbraw/zinc/93/22/40/1063932240.db2.gz ICRAARLGLJKUGS-UHFFFAOYSA-N 0 0 452.577 2.997 20 0 JFADRN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001291386318 1063932812 /nfs/dbraw/zinc/93/28/12/1063932812.db2.gz XBLYETMLCABCMP-HXOBKFHXSA-N 0 0 479.647 2.516 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](COC)C1 ZINC001291386597 1063933507 /nfs/dbraw/zinc/93/35/07/1063933507.db2.gz ZVNSLMXATQHEGZ-AXHZCLLHSA-N 0 0 493.674 2.855 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(Cc2csc(C)n2)n1C[C@@H]1COc2ccccc21 ZINC001295886677 1063934201 /nfs/dbraw/zinc/93/42/01/1063934201.db2.gz SPQGSFKXNDYAMO-MRXNPFEDSA-N 0 0 461.613 2.681 20 0 JFADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291386935 1063934282 /nfs/dbraw/zinc/93/42/82/1063934282.db2.gz DRQOELSMOIPQEZ-OPAMFIHVSA-N 0 0 450.605 2.764 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(Cc2csc(C)n2)n1CCN1c2ccccc2C[C@H]1C ZINC001295887152 1063934984 /nfs/dbraw/zinc/93/49/84/1063934984.db2.gz XCKKRJYALZRUGV-QGZVFWFLSA-N 0 0 488.683 2.956 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001291387208 1063934979 /nfs/dbraw/zinc/93/49/79/1063934979.db2.gz ICLLODVHQRPJJZ-RVHYNSKXSA-N 0 0 468.023 2.806 20 0 JFADRN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCNC(=O)CC1 ZINC001291387267 1063935053 /nfs/dbraw/zinc/93/50/53/1063935053.db2.gz JCGPZUPRTSIGTA-XCLFUZPHSA-N 0 0 468.371 2.970 20 0 JFADRN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 ZINC001291387076 1063935066 /nfs/dbraw/zinc/93/50/66/1063935066.db2.gz GQXBBRWWMXQFBF-ZBLYBZFDSA-N 0 0 498.672 2.885 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 ZINC001291387559 1063935808 /nfs/dbraw/zinc/93/58/08/1063935808.db2.gz MOOVYVYNKPSKTM-UPCLLVRISA-N 0 0 499.019 2.611 20 0 JFADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001291387890 1063936137 /nfs/dbraw/zinc/93/61/37/1063936137.db2.gz QLRYCMZEJBTDHH-KEWLPNKHSA-N 0 0 457.575 2.570 20 0 JFADRN CCN1C(=O)[C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(Cl)cc3OC)CCN2C1=O ZINC001295888280 1063937444 /nfs/dbraw/zinc/93/74/44/1063937444.db2.gz JCXXAYAXLFJYRS-INIZCTEOSA-N 0 0 460.966 2.759 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CC12CCOCC2 ZINC001295888287 1063937482 /nfs/dbraw/zinc/93/74/82/1063937482.db2.gz JJSVRWYZQVSUTO-IBGZPJMESA-N 0 0 462.616 2.853 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001291388981 1063938297 /nfs/dbraw/zinc/93/82/97/1063938297.db2.gz GEIBYMCFPDUFIR-BFFCPOFVSA-N 0 0 487.645 2.916 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001295888628 1063938726 /nfs/dbraw/zinc/93/87/26/1063938726.db2.gz TWBMQIBPBTUNBG-WOJBJXKFSA-N 0 0 464.632 2.896 20 0 JFADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001291389465 1063939694 /nfs/dbraw/zinc/93/96/94/1063939694.db2.gz LPARARGQVYKXGS-FYSMJZIKSA-N 0 0 457.575 2.570 20 0 JFADRN CCN(CCS(C)(=O)=O)c1nnc(COc2ccccc2F)n1CC1(C)CCOCC1 ZINC001295888833 1063939817 /nfs/dbraw/zinc/93/98/17/1063939817.db2.gz ZWIYYUXTYQXZCO-UHFFFAOYSA-N 0 0 454.568 2.684 20 0 JFADRN CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001291389789 1063940182 /nfs/dbraw/zinc/94/01/82/1063940182.db2.gz PXMRQRYVMUFEQI-JFZAUQCHSA-N 0 0 471.602 2.816 20 0 JFADRN CCN1C(=O)[C@@H]2CN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CCC(C)(C)O)CCN2C1=O ZINC001295889668 1063940316 /nfs/dbraw/zinc/94/03/16/1063940316.db2.gz FFGZBSNZFYAUON-OALUTQOASA-N 0 0 484.601 2.669 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001291389902 1063940449 /nfs/dbraw/zinc/94/04/49/1063940449.db2.gz QZLKXJWYTBNNOH-TVVUZDRGSA-N 0 0 457.575 2.618 20 0 JFADRN CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(OC)c4)n3CCCCOC(C)C)CCN2C1=O ZINC001295890033 1063940951 /nfs/dbraw/zinc/94/09/51/1063940951.db2.gz KJGKKPNWCNDUPV-FQEVSTJZSA-N 0 0 470.574 2.632 20 0 JFADRN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC001291390858 1063941319 /nfs/dbraw/zinc/94/13/19/1063941319.db2.gz CXBJTWAVPSYMOP-BCHFMIIMSA-N 0 0 497.644 2.815 20 0 JFADRN CCN1C(=O)[C@H]2CN(c3nnc(-c4ccccc4Br)n3C[C@H](C)SC)CCN2C1=O ZINC001295890604 1063941712 /nfs/dbraw/zinc/94/17/12/1063941712.db2.gz OUMPZHIGKHUEMI-XJKSGUPXSA-N 0 0 493.431 2.932 20 0 JFADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2c(F)cccc2OC)CC1 ZINC001291391198 1063941692 /nfs/dbraw/zinc/94/16/92/1063941692.db2.gz HNFQEVJHRKPLJW-MZNJEOGPSA-N 0 0 471.581 2.950 20 0 JFADRN CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccccn2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC001291391369 1063941998 /nfs/dbraw/zinc/94/19/98/1063941998.db2.gz JARHIBWGTGIDHT-CRICUBBOSA-N 0 0 479.585 2.679 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001291391544 1063942401 /nfs/dbraw/zinc/94/24/01/1063942401.db2.gz KZQJMDYXELVPRV-UQBPGWFLSA-N 0 0 465.602 2.828 20 0 JFADRN CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(Br)c4)n3CCCCOC)CCN2C1=O ZINC001295891075 1063942446 /nfs/dbraw/zinc/94/24/46/1063942446.db2.gz VQGNHKJNJBIEFK-KRWDZBQOSA-N 0 0 491.390 2.607 20 0 JFADRN 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CC(=O)Nc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@H]2CCSC2)cn1 ZINC001286894126 1061371915 /nfs/dbraw/zinc/37/19/15/1061371915.db2.gz MNUHLTDVIUMRAO-SFHVURJKSA-N 0 0 486.623 2.692 20 0 JFADRN Cc1ccc(NC(=O)C2CCN(c3nnc([C@@H]4CCCOC4)n3CCNC(=O)C(C)(C)C)CC2)nc1 ZINC001289751094 1061373102 /nfs/dbraw/zinc/37/31/02/1061373102.db2.gz PMSMLLKGBLRWJS-HXUWFJFHSA-N 0 0 497.644 2.893 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CC(=O)NC(C)C)cn1 ZINC001286894881 1061373358 /nfs/dbraw/zinc/37/33/58/1061373358.db2.gz YOBJVEFCHHVGIK-UHFFFAOYSA-N 0 0 487.511 2.909 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC=C(C)CC2)cn1 ZINC001286894894 1061373394 /nfs/dbraw/zinc/37/33/94/1061373394.db2.gz YTRVLFUWKNDNOY-UHFFFAOYSA-N 0 0 466.567 2.907 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCOC[C@@H]2C)cc1 ZINC001289751632 1061373514 /nfs/dbraw/zinc/37/35/14/1061373514.db2.gz VSEQSNKKIHINMN-RBUKOAKNSA-N 0 0 477.569 2.981 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)CC(C)(C)CN2CCOCC2)cn1 ZINC001286894999 1061373707 /nfs/dbraw/zinc/37/37/07/1061373707.db2.gz DCEZXAHIHVQKQC-OAQYLSRUSA-N 0 0 485.633 2.716 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001289751865 1061374011 /nfs/dbraw/zinc/37/40/11/1061374011.db2.gz XKSYAROKQGWPEV-XMMPIXPASA-N 0 0 465.558 2.716 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC001289752615 1061374028 /nfs/dbraw/zinc/37/40/28/1061374028.db2.gz AIBJXMRJUWWVAB-QUCCMNQESA-N 0 0 475.615 2.728 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCNC(=O)OC(C)(C)C)cc1 ZINC001289752711 1061374618 /nfs/dbraw/zinc/37/46/18/1061374618.db2.gz CMYPTFBZFMLEMC-UHFFFAOYSA-N 0 0 482.589 2.977 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(Cc3ccccc3C)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cn1 ZINC001286895226 1061374864 /nfs/dbraw/zinc/37/48/64/1061374864.db2.gz PUEFKFOECVSSSB-ROUUACIJSA-N 0 0 484.626 2.837 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC(C)(C)N2CCOCC2)cc1 ZINC001289752975 1061375019 /nfs/dbraw/zinc/37/50/19/1061375019.db2.gz GPHYWEGVZHEGKZ-UHFFFAOYSA-N 0 0 463.586 2.834 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001286895498 1061375674 /nfs/dbraw/zinc/37/56/74/1061375674.db2.gz KTSVMEZOOUFKAK-IBGZPJMESA-N 0 0 470.574 2.846 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)N(C)C)cc1 ZINC001289754986 1061377357 /nfs/dbraw/zinc/37/73/57/1061377357.db2.gz YLDHAIVKCBKASC-UHFFFAOYSA-N 0 0 488.390 2.897 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(CCOc3ccccc3)nnc2N(C)Cc2cnn(C)c2)cn1 ZINC001286895888 1061377376 /nfs/dbraw/zinc/37/73/76/1061377376.db2.gz CNTYHUIICIAHCF-UHFFFAOYSA-N 0 0 460.542 2.671 20 0 JFADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)O)C2)cc1 ZINC001289756012 1061378891 /nfs/dbraw/zinc/37/88/91/1061378891.db2.gz IFRMDCQTIOLIRE-SFHVURJKSA-N 0 0 471.606 2.534 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC001286896211 1061378862 /nfs/dbraw/zinc/37/88/62/1061378862.db2.gz SJGWRQULFJLOMD-PZJWPPBQSA-N 0 0 475.615 2.582 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(Cc3ccsc3)nnc2N2CCN(C(C)=O)C[C@H]2C)c1 ZINC001286896319 1061379209 /nfs/dbraw/zinc/37/92/09/1061379209.db2.gz ARGKKOOXJJYKOO-MRXNPFEDSA-N 0 0 452.584 2.994 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(CC3CCCC3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC001286896569 1061379889 /nfs/dbraw/zinc/37/98/89/1061379889.db2.gz GYJGVGODLIIHHF-NRFANRHFSA-N 0 0 488.658 2.783 20 0 JFADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nnc(Cc4ccccn4)n3CC(=O)N(C)C)C2)cc1 ZINC001289758264 1061380162 /nfs/dbraw/zinc/38/01/62/1061380162.db2.gz ABJGZMOSIXCGLI-HXUWFJFHSA-N 0 0 490.612 2.699 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC001286896820 1061380614 /nfs/dbraw/zinc/38/06/14/1061380614.db2.gz VNJRBMDGSFLDIJ-SJLPKXTDSA-N 0 0 453.465 2.946 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC001289758660 1061380608 /nfs/dbraw/zinc/38/06/08/1061380608.db2.gz DOQDPRZNKRQVJW-QUCCMNQESA-N 0 0 483.617 2.635 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC001289758931 1061380771 /nfs/dbraw/zinc/38/07/71/1061380771.db2.gz IEYGCUWPEKEWPM-LJQANCHMSA-N 0 0 470.618 2.887 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)c2ccccn2)CC1 ZINC001286896956 1061380841 /nfs/dbraw/zinc/38/08/41/1061380841.db2.gz JCAWGJXYCVLGBR-UHFFFAOYSA-N 0 0 467.618 2.770 20 0 JFADRN Cc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1C[C@H](C)Oc1ccc(C)cc1 ZINC001289758797 1061380896 /nfs/dbraw/zinc/38/08/96/1061380896.db2.gz GMKLEQGGOMBIQX-SFTDATJTSA-N 0 0 454.619 2.885 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@](C)(C(N)=O)C2)cn1 ZINC001286897086 1061381312 /nfs/dbraw/zinc/38/13/12/1061381312.db2.gz QFXFZCCHYBJBNQ-VWLOTQADSA-N 0 0 477.569 2.577 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 ZINC001289759383 1061381578 /nfs/dbraw/zinc/38/15/78/1061381578.db2.gz MFPORBRFPUUEJS-ZWKOTPCHSA-N 0 0 458.588 2.519 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)cn1 ZINC001286897258 1061381819 /nfs/dbraw/zinc/38/18/19/1061381819.db2.gz XHKSGFVXFCMWPV-OAQYLSRUSA-N 0 0 498.609 2.961 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(CC3CCCC3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cn1 ZINC001286897288 1061382049 /nfs/dbraw/zinc/38/20/49/1061382049.db2.gz RMSRELXKCKBNHN-HZPDHXFCSA-N 0 0 462.620 2.670 20 0 JFADRN Cc1nnc(N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)n1CC(=O)NCC(F)(F)F ZINC001289760148 1061382476 /nfs/dbraw/zinc/38/24/76/1061382476.db2.gz RZNSYHNISBRTKN-INIZCTEOSA-N 0 0 467.496 2.612 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(-c3cccn3C)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cn1 ZINC001286897542 1061382692 /nfs/dbraw/zinc/38/26/92/1061382692.db2.gz MDOMBOAGGQGUSP-CXAGYDPISA-N 0 0 463.464 2.841 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)CS(C)(=O)=O)cc1 ZINC001289760635 1061382879 /nfs/dbraw/zinc/38/28/79/1061382879.db2.gz WDZUKFAHNOPTLR-QZTJIDSGSA-N 0 0 486.598 2.571 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(-c3cccn3C)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)cn1 ZINC001286897545 1061383021 /nfs/dbraw/zinc/38/30/21/1061383021.db2.gz MDOMBOAGGQGUSP-SUMWQHHRSA-N 0 0 463.464 2.841 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)CN2CCOCC2)cc1 ZINC001289761086 1061383394 /nfs/dbraw/zinc/38/33/94/1061383394.db2.gz XGALFOMZJOAZFA-RBBKRZOGSA-N 0 0 484.645 2.800 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)c1 ZINC001286898024 1061384484 /nfs/dbraw/zinc/38/44/84/1061384484.db2.gz VPNHMUBPUGWSOX-JOCHJYFZSA-N 0 0 482.610 2.674 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCN(C)C(=O)[C@@H]2C)c1 ZINC001286898019 1061384585 /nfs/dbraw/zinc/38/45/85/1061384585.db2.gz VLNAAUDJQFYISP-ZLGUVYLKSA-N 0 0 468.602 2.870 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC001289762465 1061385051 /nfs/dbraw/zinc/38/50/51/1061385051.db2.gz HCEIRCKRHOHPIQ-NJYVYQBISA-N 0 0 491.658 2.714 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(-c3cccn3C)nnc2N2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC001286898144 1061384884 /nfs/dbraw/zinc/38/48/84/1061384884.db2.gz DMBDDTODDPESST-UHFFFAOYSA-N 0 0 463.586 2.985 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 ZINC001289764390 1061385911 /nfs/dbraw/zinc/38/59/11/1061385911.db2.gz UNYCKOAZTHBIRT-FQEVSTJZSA-N 0 0 482.654 2.917 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C(C)C)C2)cn1 ZINC001286898354 1061386326 /nfs/dbraw/zinc/38/63/26/1061386326.db2.gz YDTFKUMWUHSPDI-SFHVURJKSA-N 0 0 483.598 2.533 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC(=O)N(C)C[C@@H]2C)cc1 ZINC001289764626 1061386420 /nfs/dbraw/zinc/38/64/20/1061386420.db2.gz XLGPBRGELRLGLA-ROUUACIJSA-N 0 0 482.610 2.712 20 0 JFADRN COCC[C@@H]1CCN(C(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc21 ZINC001289765904 1061386923 /nfs/dbraw/zinc/38/69/23/1061386923.db2.gz JTMVGECCVYRHCW-UUOWRZLLSA-N 0 0 458.580 2.998 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(-c3cccc(C)n3)nnc2N(C)CCCS(C)(=O)=O)c1 ZINC001286898606 1061386911 /nfs/dbraw/zinc/38/69/11/1061386911.db2.gz HFRKRXKNYQXEEU-UHFFFAOYSA-N 0 0 456.572 2.526 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2nc3ccsc3c(=O)[nH]2)c1 ZINC001286898813 1061387266 /nfs/dbraw/zinc/38/72/66/1061387266.db2.gz JDQJIMLHMNVTJR-UHFFFAOYSA-N 0 0 494.581 2.770 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(N3CCO[C@H](C(C)(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)cn1 ZINC001286898912 1061387302 /nfs/dbraw/zinc/38/73/02/1061387302.db2.gz KOJGZIAVECLRQL-NBGIEHNGSA-N 0 0 486.617 2.972 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCCCO3)nnc2N2CCN(CC(=O)N(C)C)CC2)c1 ZINC001289766426 1061387443 /nfs/dbraw/zinc/38/74/43/1061387443.db2.gz IMPYLAQNNYARLW-HXUWFJFHSA-N 0 0 492.571 2.688 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cn1 ZINC001286899154 1061387694 /nfs/dbraw/zinc/38/76/94/1061387694.db2.gz LKJJHHYSMAOBDM-VQIMIIECSA-N 0 0 485.589 2.977 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CCC2CCOCC2)c1 ZINC001286899353 1061388585 /nfs/dbraw/zinc/38/85/85/1061388585.db2.gz OWPGQYNSEGIKKT-UHFFFAOYSA-N 0 0 454.575 2.774 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)c1 ZINC001286899487 1061388969 /nfs/dbraw/zinc/38/89/69/1061388969.db2.gz UQLCYFPAMSOKHB-CTNGQTDRSA-N 0 0 468.602 2.920 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)c1 ZINC001286899488 1061389097 /nfs/dbraw/zinc/38/90/97/1061389097.db2.gz UQLCYFPAMSOKHB-FPOVZHCZSA-N 0 0 468.602 2.920 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)c1 ZINC001286899561 1061389519 /nfs/dbraw/zinc/38/95/19/1061389519.db2.gz WJQTUOUWYZYGDH-JLZZUVOBSA-N 0 0 450.465 2.871 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)c1 ZINC001289768915 1061389694 /nfs/dbraw/zinc/38/96/94/1061389694.db2.gz NBPQCODBUVCXPZ-VQIMIIECSA-N 0 0 499.584 2.853 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC(N)=O)CC2)cn1 ZINC001286899721 1061389897 /nfs/dbraw/zinc/38/98/97/1061389897.db2.gz SLLRTFDLXRWPBR-DENIHFKCSA-N 0 0 483.617 2.690 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CCN(CC(F)F)CC2)cn1 ZINC001286899738 1061390370 /nfs/dbraw/zinc/39/03/70/1061390370.db2.gz SYBXOHYUZFFKMV-UHFFFAOYSA-N 0 0 489.502 2.785 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(N(C)[C@H]3CCSC3)nnc2[C@@]2(OC(C)C)CCOC2)cn1 ZINC001286899874 1061390800 /nfs/dbraw/zinc/39/08/00/1061390800.db2.gz XRWZYUQYLHVUKS-PGRDOPGGSA-N 0 0 460.604 2.662 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@H]2NC(=O)CC2(C)C)cc1C ZINC001289769577 1061391073 /nfs/dbraw/zinc/39/10/73/1061391073.db2.gz SEHZWPBCNMKWFD-HBFSDRIKSA-N 0 0 491.658 2.646 20 0 JFADRN 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CC(=O)NC[C@@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCC(=O)N2)C1 ZINC001286924765 1061532130 /nfs/dbraw/zinc/53/21/30/1061532130.db2.gz BRWRBMLYNYZLOE-RBUKOAKNSA-N 0 0 456.616 2.510 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C)C2)s1 ZINC001289855975 1061532438 /nfs/dbraw/zinc/53/24/38/1061532438.db2.gz LJKCYUQDSMEJTR-HNNXBMFYSA-N 0 0 495.602 2.570 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(C3CCC3)nnc2N(C)C[C@H]2CCCCO2)s1 ZINC001289855979 1061533118 /nfs/dbraw/zinc/53/31/18/1061533118.db2.gz LJZGRBXHODYXIU-QGZVFWFLSA-N 0 0 453.634 2.899 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001286925009 1061533156 /nfs/dbraw/zinc/53/31/56/1061533156.db2.gz CPMXNYODCJEPAP-SJLPKXTDSA-N 0 0 480.491 2.529 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@H](C(C)(C)C)C2)s1 ZINC001289856170 1061533554 /nfs/dbraw/zinc/53/35/54/1061533554.db2.gz NOKGKIXTNJORDD-KRWDZBQOSA-N 0 0 494.687 2.735 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCN(C)CC(F)(F)F)C1 ZINC001286925183 1061533562 /nfs/dbraw/zinc/53/35/62/1061533562.db2.gz KMRYKUZQJIIBOW-KRWDZBQOSA-N 0 0 496.534 2.563 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCOCC2(C)C)C1 ZINC001286925294 1061534077 /nfs/dbraw/zinc/53/40/77/1061534077.db2.gz GQBHVXOPDYTFDR-BHDDXSALSA-N 0 0 490.693 2.660 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2CC=CCO2)cc1 ZINC001289856299 1061534094 /nfs/dbraw/zinc/53/40/94/1061534094.db2.gz PJHSFCYUPCQQHR-IBGZPJMESA-N 0 0 461.632 2.935 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(CC3CCCC3)nnc2N(C)Cc2cnn(C)c2)s1 ZINC001289856281 1061534172 /nfs/dbraw/zinc/53/41/72/1061534172.db2.gz PUKBFLTXGDSVNY-UHFFFAOYSA-N 0 0 477.660 2.729 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(CC3CCCC3)n2Cc2cnn(C)c2)cc1 ZINC001289856314 1061534621 /nfs/dbraw/zinc/53/46/21/1061534621.db2.gz PRDRPNHHQFJLAC-UHFFFAOYSA-N 0 0 471.631 2.516 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(C)(F)F)cc2)CC1 ZINC001286925457 1061534567 /nfs/dbraw/zinc/53/45/67/1061534567.db2.gz HEIIUJDQNDXLJM-UHFFFAOYSA-N 0 0 462.545 2.929 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccc(F)c2F)CC1 ZINC001286925530 1061535030 /nfs/dbraw/zinc/53/50/30/1061535030.db2.gz JCIRIOSASVOODC-UHFFFAOYSA-N 0 0 483.523 2.799 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(C)nnc2N2CCCO[C@H](c3ccccc3)C2)s1 ZINC001289856420 1061535457 /nfs/dbraw/zinc/53/54/57/1061535457.db2.gz SDXPPPBFOWBCEK-IBGZPJMESA-N 0 0 461.613 2.903 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccsc3)n2Cc2ccc(N(C)C)nc2)C1 ZINC001286925633 1061535473 /nfs/dbraw/zinc/53/54/73/1061535473.db2.gz DCMORVUBQLIUBZ-LJQANCHMSA-N 0 0 453.616 2.792 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCOC3)nnc2N2CC(C)(C)OC(C)(C)C2)s1 ZINC001289856494 1061535541 /nfs/dbraw/zinc/53/55/41/1061535541.db2.gz UFQBISPRWOIBKW-INIZCTEOSA-N 0 0 483.660 2.524 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2OCCC2(C)C)cc1 ZINC001289856556 1061536016 /nfs/dbraw/zinc/53/60/16/1061536016.db2.gz UBHMIWYWNKYHDN-QFIPXVFZSA-N 0 0 498.653 2.802 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@@H]2CC[C@H](CO)O2)cc1 ZINC001289856692 1061537596 /nfs/dbraw/zinc/53/75/96/1061537596.db2.gz WNQLNUAJMXMDEV-ZSYWTGECSA-N 0 0 482.672 2.677 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2cccc(C)c2)C1 ZINC001286926353 1061538509 /nfs/dbraw/zinc/53/85/09/1061538509.db2.gz GSCLVFKOTQKMIV-QFIPXVFZSA-N 0 0 465.602 2.880 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC(C)(C)C)nc2)C1 ZINC001286926498 1061540228 /nfs/dbraw/zinc/54/02/28/1061540228.db2.gz JNNBMCJXIFORBH-ICSRJNTNSA-N 0 0 456.591 2.755 20 0 JFADRN CC(=O)NCC(=O)N1CCc2cc(C(=O)NC[C@H](Cc3ccccc3)c3ccccn3)ccc21 ZINC001289859563 1061541064 /nfs/dbraw/zinc/54/10/64/1061541064.db2.gz OKYSBKZKLAYHIG-QHCPKHFHSA-N 0 0 456.546 2.863 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CCCN2CCOCC2)cc1 ZINC001289860636 1061541565 /nfs/dbraw/zinc/54/15/65/1061541565.db2.gz FPSWHRAZOZCFLO-UHFFFAOYSA-N 0 0 474.675 2.952 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001289860725 1061541645 /nfs/dbraw/zinc/54/16/45/1061541645.db2.gz IFZVGAZPLIWZKY-KRWDZBQOSA-N 0 0 479.672 2.664 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C(C)(C)O)cc2)C1 ZINC001286926899 1061542161 /nfs/dbraw/zinc/54/21/61/1061542161.db2.gz HNKQVNGIVUGFIE-OAQYLSRUSA-N 0 0 462.598 2.892 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCCc2cnn(C)c2)cc1 ZINC001289861362 1061543497 /nfs/dbraw/zinc/54/34/97/1061543497.db2.gz SYZQOLFWXOJAEP-IBGZPJMESA-N 0 0 474.656 2.868 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CSc3ccccc32)CC1 ZINC001286927120 1061543912 /nfs/dbraw/zinc/54/39/12/1061543912.db2.gz RJFVBWOTIXULJO-SFHVURJKSA-N 0 0 456.616 2.658 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CC(F)(F)CO2)C1 ZINC001286927129 1061543949 /nfs/dbraw/zinc/54/39/49/1061543949.db2.gz RMXVQSCMLJDZTQ-QFBILLFUSA-N 0 0 467.492 2.773 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2Cl)CC1 ZINC001286927143 1061544022 /nfs/dbraw/zinc/54/40/22/1061544022.db2.gz SBXSWYYMPNKUSD-UHFFFAOYSA-N 0 0 458.994 2.763 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)C[C@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)cc1 ZINC001289862385 1061544683 /nfs/dbraw/zinc/54/46/83/1061544683.db2.gz DPKACIRWTLVVAL-LJQANCHMSA-N 0 0 494.683 2.681 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)Cc3ccco3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC001289862634 1061545752 /nfs/dbraw/zinc/54/57/52/1061545752.db2.gz JJFYXFALZKMXJJ-OAQYLSRUSA-N 0 0 462.597 2.658 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)C[C@@H]3CCOC3)n2CCC(=O)N2CCOCC2)cc1 ZINC001289863325 1061546371 /nfs/dbraw/zinc/54/63/71/1061546371.db2.gz UMQWAKFWXDGAJH-IBGZPJMESA-N 0 0 459.616 2.600 20 0 JFADRN Cc1ccc(SCc2nnc(N(C)Cc3cscn3)n2CCS(=O)(=O)N(C)C)cc1 ZINC001289863439 1061547074 /nfs/dbraw/zinc/54/70/74/1061547074.db2.gz VLSFVAKEGKBGIP-UHFFFAOYSA-N 0 0 466.658 2.863 20 0 JFADRN C[C@@H]1CCN(C(=O)[C@H]2CCCN(c3ncnc4sccc43)C2)C[C@@H]1NC(=O)C(F)(F)F ZINC001289866119 1061547815 /nfs/dbraw/zinc/54/78/15/1061547815.db2.gz HNHUIANWAMMOFK-IPYPFGDCSA-N 0 0 455.506 2.823 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCn2cc(C)cn2)C1 ZINC001286928358 1061548190 /nfs/dbraw/zinc/54/81/90/1061548190.db2.gz KGYCBSWJNBTZTG-SFHVURJKSA-N 0 0 457.529 2.705 20 0 JFADRN Cc1ccc(SCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2Cc2nnn(C)n2)cc1 ZINC001289867433 1061548992 /nfs/dbraw/zinc/54/89/92/1061548992.db2.gz GRBMEEIXAVSMHS-DZGCQCFKSA-N 0 0 468.509 2.607 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001286928964 1061550323 /nfs/dbraw/zinc/55/03/23/1061550323.db2.gz QWIVAMGMUQEXFL-FPOVZHCZSA-N 0 0 460.623 2.663 20 0 JFADRN Cc1ccc(SCc2nnc(N3CC[C@H](C)[C@H](C)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC001289868468 1061550534 /nfs/dbraw/zinc/55/05/34/1061550534.db2.gz RQCPSIYRIAAMJF-NJNPRVFISA-N 0 0 464.657 2.911 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)C)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001286929208 1061550721 /nfs/dbraw/zinc/55/07/21/1061550721.db2.gz NIJAZPGMAUCIAO-INIZCTEOSA-N 0 0 453.513 2.881 20 0 JFADRN Cc1ccc(SCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCN2CCOCC2(C)C)cc1 ZINC001289868780 1061550958 /nfs/dbraw/zinc/55/09/58/1061550958.db2.gz WFKDNSVEPBWBMJ-DEOSSOPVSA-N 0 0 472.659 2.691 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCCC2)C1 ZINC001286929829 1061552519 /nfs/dbraw/zinc/55/25/19/1061552519.db2.gz YPQMDEMKBWKQCO-IBGZPJMESA-N 0 0 459.616 2.891 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CCCCO2)cc1 ZINC001289869531 1061552799 /nfs/dbraw/zinc/55/27/99/1061552799.db2.gz GZXISPVMRIDHEQ-LJQANCHMSA-N 0 0 459.616 2.919 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC2([S@@](C)=O)CCC2)C1 ZINC001286929895 1061553424 /nfs/dbraw/zinc/55/34/24/1061553424.db2.gz QOYRCDCCLQNLGO-PSTIOWGYSA-N 0 0 461.607 2.662 20 0 JFADRN Cc1ccc(SCc2nnc(N3CC[C@@]4(CCOC4)C3)n2CCOCCS(C)(=O)=O)cc1 ZINC001289871341 1061554727 /nfs/dbraw/zinc/55/47/27/1061554727.db2.gz FOSMNFLDNCPWIA-JOCHJYFZSA-N 0 0 480.656 2.557 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2cc(C)oc2C)C1 ZINC001286930568 1061555421 /nfs/dbraw/zinc/55/54/21/1061555421.db2.gz RSQVGFRFKCETMA-NBGIEHNGSA-N 0 0 466.586 2.734 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC[C@H](N4CCCC4=O)C3)n2CC(=O)NC(C)C)cc1 ZINC001289871964 1061555635 /nfs/dbraw/zinc/55/56/35/1061555635.db2.gz KONLDMLOWFZZHA-IBGZPJMESA-N 0 0 470.643 2.995 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC[C@@H](N4CCCC4=O)C3)n2CC(=O)NC(C)C)cc1 ZINC001289871965 1061555655 /nfs/dbraw/zinc/55/56/55/1061555655.db2.gz KONLDMLOWFZZHA-LJQANCHMSA-N 0 0 470.643 2.995 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCn2nc(C)cc2C)C1 ZINC001286930575 1061555926 /nfs/dbraw/zinc/55/59/26/1061555926.db2.gz RUWBXMVNAKUPCI-JOCHJYFZSA-N 0 0 450.591 2.520 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC[C@@H](n4cncn4)C3)n2CCC(=O)N(C)C)cc1 ZINC001289872111 1061556087 /nfs/dbraw/zinc/55/60/87/1061556087.db2.gz NQYRTDVZCOPYTO-GOSISDBHSA-N 0 0 454.604 2.790 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC001286930693 1061556435 /nfs/dbraw/zinc/55/64/35/1061556435.db2.gz XTNUJEMCVOYVNM-LJQANCHMSA-N 0 0 461.632 2.671 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCCN2CCOC2=O)cc1 ZINC001289872853 1061557162 /nfs/dbraw/zinc/55/71/62/1061557162.db2.gz ZMDWNSATWYSHIB-UHFFFAOYSA-N 0 0 493.655 2.735 20 0 JFADRN CC(=O)NCC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2scnc2C)CC1 ZINC001286931906 1061558837 /nfs/dbraw/zinc/55/88/37/1061558837.db2.gz FDOVEMHUSAMGKK-HSZRJFAPSA-N 0 0 476.647 2.679 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2(C)CC2)CC1 ZINC001286931885 1061558934 /nfs/dbraw/zinc/55/89/34/1061558934.db2.gz DMVHEPQDVZCDIE-UHFFFAOYSA-N 0 0 488.658 2.738 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCCO[C@H](C)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC001289875978 1061559097 /nfs/dbraw/zinc/55/90/97/1061559097.db2.gz 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Cc1ccc(SCc2nnc(N3CCN(c4nccnc4C)CC3)n2CCC(=O)N(C)C)cc1 ZINC001289877788 1061562033 /nfs/dbraw/zinc/56/20/33/1061562033.db2.gz AQVHHDASPCYFBA-UHFFFAOYSA-N 0 0 480.642 2.782 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCN(C)CC(F)(F)F)CC1 ZINC001286932676 1061563029 /nfs/dbraw/zinc/56/30/29/1061563029.db2.gz DRNCRLKXGNMKSC-UHFFFAOYSA-N 0 0 496.534 2.911 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCN4C(=O)N(C)C[C@H]4C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001289879222 1061564449 /nfs/dbraw/zinc/56/44/49/1061564449.db2.gz OEHVSFBTCZLIQO-SFHVURJKSA-N 0 0 485.658 2.597 20 0 JFADRN Cc1ccc(SCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2CCCc2cnn(C)n2)cc1 ZINC001289879230 1061564547 /nfs/dbraw/zinc/56/45/47/1061564547.db2.gz OISNJBYKHKTIIR-UHFFFAOYSA-N 0 0 482.658 2.945 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 ZINC001286933420 1061565471 /nfs/dbraw/zinc/56/54/71/1061565471.db2.gz FZIPQGDGBZYMIC-MGBGTMOVSA-N 0 0 468.627 2.563 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)c2ccc(C)cc2)CC1 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ZINC001290024102 1061745038 /nfs/dbraw/zinc/74/50/38/1061745038.db2.gz WYVSSFXUPGKICZ-HSZRJFAPSA-N 0 0 498.653 2.626 20 0 JFADRN Cc1cccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCCc2ccccc2)n1 ZINC001290024103 1061745062 /nfs/dbraw/zinc/74/50/62/1061745062.db2.gz WYVSSFXUPGKICZ-QHCPKHFHSA-N 0 0 498.653 2.626 20 0 JFADRN Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)c1 ZINC001290027750 1061746244 /nfs/dbraw/zinc/74/62/44/1061746244.db2.gz HFKGSMWVMJXKOU-JTHBVZDNSA-N 0 0 495.672 2.590 20 0 JFADRN Cc1cccc(Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1 ZINC001290028410 1061746622 /nfs/dbraw/zinc/74/66/22/1061746622.db2.gz GAOXFKWJMKXLGW-QFIPXVFZSA-N 0 0 468.627 2.728 20 0 JFADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3Cc3cccc(C)c3)C2)n1 ZINC001290028776 1061747242 /nfs/dbraw/zinc/74/72/42/1061747242.db2.gz VMEFUJDFUDQXLE-TZIWHRDSSA-N 0 0 471.631 2.900 20 0 JFADRN Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3=NCC(C)(C)S3)CC2)c1 ZINC001290028760 1061747271 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CCCCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CC(F)C2)c(C)n1 ZINC001294298811 1061787169 /nfs/dbraw/zinc/78/71/69/1061787169.db2.gz MPMQRQHGCGTWJF-TVRKMHQQSA-N 0 0 452.600 2.718 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CCc2ccn(C)n2)c1 ZINC001290063150 1061787404 /nfs/dbraw/zinc/78/74/04/1061787404.db2.gz UUVABXSVCOJJBI-UHFFFAOYSA-N 0 0 465.602 2.883 20 0 JFADRN CCCCn1cc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CNS(C)(=O)=O)CC2)c(C)n1 ZINC001294299420 1061787792 /nfs/dbraw/zinc/78/77/92/1061787792.db2.gz QHZSHEOYRWDUKH-NRFANRHFSA-N 0 0 493.678 2.639 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1CCN1CCCC1 ZINC001286976918 1061787807 /nfs/dbraw/zinc/78/78/07/1061787807.db2.gz KEOHYUJWUPUWLR-RTBURBONSA-N 0 0 458.632 2.635 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccnc(C(F)(F)F)c1)S(C)(=O)=O ZINC001286976961 1061787891 /nfs/dbraw/zinc/78/78/91/1061787891.db2.gz KHKFICLIBOKGJQ-GZBFAFLISA-N 0 0 461.510 2.850 20 0 JFADRN CCCCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H](CC)C2)c(C)n1 ZINC001294300134 1061788292 /nfs/dbraw/zinc/78/82/92/1061788292.db2.gz WYIALWZDRWQXNB-CTNGQTDRSA-N 0 0 493.678 2.591 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001286976969 1061788371 /nfs/dbraw/zinc/78/83/71/1061788371.db2.gz KHKFICLIBOKGJQ-VNHYZAJKSA-N 0 0 461.510 2.850 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(-c3cnccn3)n2CCOc2ccc(Cl)cn2)CC1 ZINC001286976995 1061788395 /nfs/dbraw/zinc/78/83/95/1061788395.db2.gz IUFYSGUJLNUMOY-UHFFFAOYSA-N 0 0 470.965 2.557 20 0 JFADRN CCCCn1cc(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCOCC2)c(C)n1 ZINC001294300082 1061788349 /nfs/dbraw/zinc/78/83/49/1061788349.db2.gz VPMQSWMKXXAKOD-FQEVSTJZSA-N 0 0 489.621 2.776 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC2([S@@](C)=O)CC2)c1 ZINC001290063576 1061788432 /nfs/dbraw/zinc/78/84/32/1061788432.db2.gz YFJUMHIRYVIFIL-MGBGTMOVSA-N 0 0 473.643 2.818 20 0 JFADRN 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Cc1cc(C)n(Cc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCc2nccs2)n1 ZINC001290616454 1062465894 /nfs/dbraw/zinc/46/58/94/1062465894.db2.gz KNXODMPJQRGJQG-GJZGRUSLSA-N 0 0 455.510 2.995 20 0 JFADRN CC(C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1Cc2cccc(Br)c2C1 ZINC001287136485 1062467918 /nfs/dbraw/zinc/46/79/18/1062467918.db2.gz WSOVJVHJZWIUCZ-UHFFFAOYSA-N 0 0 458.364 2.734 20 0 JFADRN CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3cncc(C=O)c3)C2=O)cc1OC ZINC001290616840 1062469374 /nfs/dbraw/zinc/46/93/74/1062469374.db2.gz MJVDUDVNBOPISW-GRSHGNNSSA-N 0 0 455.492 2.768 20 0 JFADRN CCCNC(=O)[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CC2(C(N)=O)CCCC2)C1 ZINC001294810467 1062469463 /nfs/dbraw/zinc/46/94/63/1062469463.db2.gz DXRQLJGLIKMPQE-OAQYLSRUSA-N 0 0 466.630 2.852 20 0 JFADRN CCCNC(=O)[C@H]1CCCN(c2nnc(COCC)n2Cc2cccc3c2OCCCO3)C1 ZINC001294810662 1062470289 /nfs/dbraw/zinc/47/02/89/1062470289.db2.gz HXKLMCBIJRIATL-IBGZPJMESA-N 0 0 457.575 2.767 20 0 JFADRN CCCNC(=O)[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCC(=O)Nc2ccccc2)C1 ZINC001294810710 1062470320 /nfs/dbraw/zinc/47/03/20/1062470320.db2.gz IUPXESYEUBGFBY-AZUAARDMSA-N 0 0 454.575 2.901 20 0 JFADRN CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CC=CCO2)C1 ZINC001294810660 1062470363 /nfs/dbraw/zinc/47/03/63/1062470363.db2.gz HXEUHVYLDIHWLP-SIKLNZKXSA-N 0 0 469.586 2.953 20 0 JFADRN CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CC=CCO2)C1 ZINC001294810661 1062470404 /nfs/dbraw/zinc/47/04/04/1062470404.db2.gz HXEUHVYLDIHWLP-UGKGYDQZSA-N 0 0 469.586 2.953 20 0 JFADRN CCCNC(=O)[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[C@H]2OC)C1 ZINC001294810891 1062471574 /nfs/dbraw/zinc/47/15/74/1062471574.db2.gz HCGTUPQKDBXWDG-NJDAHSKKSA-N 0 0 457.623 2.697 20 0 JFADRN CCCNC(=O)[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(CC)s2)C1 ZINC001294810913 1062471589 /nfs/dbraw/zinc/47/15/89/1062471589.db2.gz HGRKEKWHZQMCHF-QGZVFWFLSA-N 0 0 458.632 2.815 20 0 JFADRN CC(C)C(=O)NCCn1c(-c2ccc(Br)s2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001287136742 1062472460 /nfs/dbraw/zinc/47/24/60/1062472460.db2.gz HEXXFRPIQPGALB-UONOGXRCSA-N 0 0 495.447 2.789 20 0 JFADRN CC(C)C(=O)NCCn1c(-c2ccc(Br)s2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001287136740 1062472499 /nfs/dbraw/zinc/47/24/99/1062472499.db2.gz HEXXFRPIQPGALB-KBPBESRZSA-N 0 0 495.447 2.789 20 0 JFADRN CC(C)C(=O)NCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001287136830 1062472514 /nfs/dbraw/zinc/47/25/14/1062472514.db2.gz KDZIWFKECFSLKF-CVEARBPZSA-N 0 0 496.337 2.733 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2Cc2ccc(C)n(C)c2=O)n1 ZINC001290618220 1062473851 /nfs/dbraw/zinc/47/38/51/1062473851.db2.gz QQRFUDPGTAUZQV-UHFFFAOYSA-N 0 0 491.518 2.543 20 0 JFADRN CCCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cl)cc2F)CC1 ZINC001294811409 1062476048 /nfs/dbraw/zinc/47/60/48/1062476048.db2.gz LZUTYLMGBOFRAE-UHFFFAOYSA-N 0 0 464.973 3.000 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H](C(C)C)N2CCOCC2)n1 ZINC001290618714 1062476092 /nfs/dbraw/zinc/47/60/92/1062476092.db2.gz XSJMYDDPEIIWFS-NRFANRHFSA-N 0 0 473.666 2.890 20 0 JFADRN CC(C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001287137590 1062480045 /nfs/dbraw/zinc/48/00/45/1062480045.db2.gz GYYMVQDDTAYDEK-MSOLQXFVSA-N 0 0 494.518 2.598 20 0 JFADRN CC(C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001287138101 1062480064 /nfs/dbraw/zinc/48/00/64/1062480064.db2.gz IEEOWASDOOUMBB-CTNGQTDRSA-N 0 0 468.602 2.781 20 0 JFADRN CC(C)C(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccnn1C)C1CC1 ZINC001287137981 1062481885 /nfs/dbraw/zinc/48/18/85/1062481885.db2.gz DEZQKHIIOWIXPA-WOJBJXKFSA-N 0 0 457.623 2.871 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2C[C@@H]2CCOC2)n1 ZINC001290620614 1062482406 /nfs/dbraw/zinc/48/24/06/1062482406.db2.gz LZIZGGRLDYMSAD-PMACEKPBSA-N 0 0 457.623 2.553 20 0 JFADRN CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cc(C)nn2C)C1 ZINC001294812592 1062482988 /nfs/dbraw/zinc/48/29/88/1062482988.db2.gz UQXQOPPEWNKBBN-LJQANCHMSA-N 0 0 481.601 2.699 20 0 JFADRN CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cc(C)nn2C)C1 ZINC001294812591 1062483021 /nfs/dbraw/zinc/48/30/21/1062483021.db2.gz UQXQOPPEWNKBBN-IBGZPJMESA-N 0 0 481.601 2.699 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2C[C@@](C)(O)C2CC2)n1 ZINC001290620673 1062483126 /nfs/dbraw/zinc/48/31/26/1062483126.db2.gz NXHQJJVZXFBVLF-UQBPGWFLSA-N 0 0 471.650 2.678 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C[C@@](C)(O)C2CC2)n1 ZINC001290620672 1062483210 /nfs/dbraw/zinc/48/32/10/1062483210.db2.gz NXHQJJVZXFBVLF-KBMIEXCESA-N 0 0 471.650 2.678 20 0 JFADRN CCCNC(=O)[C@H]1CCCN(c2nnc(COCC)n2Cc2ccc(N3CCCC3)nc2)C1 ZINC001294812703 1062485962 /nfs/dbraw/zinc/48/59/62/1062485962.db2.gz WSPFSKAQSLNOMV-FQEVSTJZSA-N 0 0 455.607 2.601 20 0 JFADRN CCCNC(=O)[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCCNC(=O)OC(C)(C)C)C1 ZINC001294813043 1062487155 /nfs/dbraw/zinc/48/71/55/1062487155.db2.gz ZDLAQYUCMDPUCN-ZWKOTPCHSA-N 0 0 464.611 2.787 20 0 JFADRN CCCNC(=O)[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCc2c(F)cccc2F)C1 ZINC001294813134 1062488033 /nfs/dbraw/zinc/48/80/33/1062488033.db2.gz QIZXPHVXDMBPJG-KRWDZBQOSA-N 0 0 474.556 2.664 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CC[C@@](C)(N4CCOCC4)C3)n2CCCC(F)(F)F)n1 ZINC001290624303 1062488903 /nfs/dbraw/zinc/48/89/03/1062488903.db2.gz MQVWHMZEODPKHF-HXUWFJFHSA-N 0 0 455.529 2.783 20 0 JFADRN CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C)n(C)c2=O)C1 ZINC001294814280 1062491012 /nfs/dbraw/zinc/49/10/12/1062491012.db2.gz WROBRNCDWGTTBF-IBGZPJMESA-N 0 0 468.627 2.728 20 0 JFADRN CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C)n(C)c2=O)C1 ZINC001294814282 1062491035 /nfs/dbraw/zinc/49/10/35/1062491035.db2.gz WROBRNCDWGTTBF-LJQANCHMSA-N 0 0 468.627 2.728 20 0 JFADRN CC(C)C(=O)NCCn1c(COc2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001287139664 1062491127 /nfs/dbraw/zinc/49/11/27/1062491127.db2.gz PRVKOAHTDAEGHW-KRWDZBQOSA-N 0 0 490.580 2.872 20 0 JFADRN CCCNC(=O)[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cccnc2)C1 ZINC001294814557 1062492381 /nfs/dbraw/zinc/49/23/81/1062492381.db2.gz YNSACFVJNQKKIU-OAQYLSRUSA-N 0 0 450.591 2.520 20 0 JFADRN CCCNC(=O)[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(CC)cc2)C1 ZINC001294814570 1062492432 /nfs/dbraw/zinc/49/24/32/1062492432.db2.gz YORDBVAKAZDGGK-QFIPXVFZSA-N 0 0 466.630 2.948 20 0 JFADRN CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CCc2cn[nH]c2)C1 ZINC001294814661 1062493222 /nfs/dbraw/zinc/49/32/22/1062493222.db2.gz ZRBZFCWNNYKCMK-HXUWFJFHSA-N 0 0 451.575 2.874 20 0 JFADRN CCCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(I)cc2)CC1 ZINC001294816212 1062495307 /nfs/dbraw/zinc/49/53/07/1062495307.db2.gz OSFRCHPYWPEHJO-UHFFFAOYSA-N 0 0 467.355 2.982 20 0 JFADRN CCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC001294817454 1062496502 /nfs/dbraw/zinc/49/65/02/1062496502.db2.gz WFCIBTFWRTVOSV-UHFFFAOYSA-N 0 0 484.645 2.834 20 0 JFADRN CCCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccccn2)CC1 ZINC001294819256 1062497416 /nfs/dbraw/zinc/49/74/16/1062497416.db2.gz DBABVKYIZHMPJP-VWLOTQADSA-N 0 0 470.618 2.699 20 0 JFADRN CC(C)C(=O)NCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001287140897 1062497469 /nfs/dbraw/zinc/49/74/69/1062497469.db2.gz SXSKXDCZNXDIJJ-IEBWSBKVSA-N 0 0 477.631 2.545 20 0 JFADRN CC(C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001287141101 1062498384 /nfs/dbraw/zinc/49/83/84/1062498384.db2.gz UECRZUBPUOVYQE-MOPGFXCFSA-N 0 0 462.639 2.671 20 0 JFADRN CCCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([S@](C)=O)CC2)CC1 ZINC001294819621 1062499471 /nfs/dbraw/zinc/49/94/71/1062499471.db2.gz JOJZKFXHUOWLRY-UMSFTDKQSA-N 0 0 489.642 2.616 20 0 JFADRN CCCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2c(CC)nn(C)c2OC)CC1 ZINC001294819826 1062500130 /nfs/dbraw/zinc/50/01/30/1062500130.db2.gz LCJGKQQRQNHVQT-UHFFFAOYSA-N 0 0 469.590 2.942 20 0 JFADRN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1csc(N2CCOCC2)n1 ZINC001294819727 1062500251 /nfs/dbraw/zinc/50/02/51/1062500251.db2.gz FXMJHLDNMOHHSO-ZNXRZULTSA-N 0 0 450.605 2.959 20 0 JFADRN CC(C)C(=O)NCCn1c(Cc2ccccn2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001287141498 1062500668 /nfs/dbraw/zinc/50/06/68/1062500668.db2.gz NJMCOZGZPWYCNM-OAQYLSRUSA-N 0 0 468.524 2.566 20 0 JFADRN CC(C)C(=O)NCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cccc(Br)c1 ZINC001287141534 1062501161 /nfs/dbraw/zinc/50/11/61/1062501161.db2.gz XSSJDNRJZKZHMF-MRXNPFEDSA-N 0 0 450.381 2.953 20 0 JFADRN COc1cc2c(c(OC)c1OC)CCN(C(=O)c1c(Br)nc3n1CCC3)CC2 ZINC001294820239 1062501262 /nfs/dbraw/zinc/50/12/62/1062501262.db2.gz OQDIUUZGMYRHFK-UHFFFAOYSA-N 0 0 450.333 2.859 20 0 JFADRN CCCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)NC(C)C)CC1 ZINC001294820358 1062501641 /nfs/dbraw/zinc/50/16/41/1062501641.db2.gz UIIQVIPGRIKKPK-UHFFFAOYSA-N 0 0 497.065 2.669 20 0 JFADRN CC(C)C(=O)NCCn1c(CCc2ccccc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC001287141750 1062501682 /nfs/dbraw/zinc/50/16/82/1062501682.db2.gz YPWPVODDVHTVPS-JOCHJYFZSA-N 0 0 476.629 2.731 20 0 JFADRN 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1062718167 /nfs/dbraw/zinc/71/81/67/1062718167.db2.gz MKBBXUCALHYWNM-UHFFFAOYSA-N 0 0 479.585 2.600 20 0 JFADRN Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001290825489 1062719180 /nfs/dbraw/zinc/71/91/80/1062719180.db2.gz WPAZYYBKGNDKMF-QGZVFWFLSA-N 0 0 475.537 2.684 20 0 JFADRN CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001287230702 1062719127 /nfs/dbraw/zinc/71/91/27/1062719127.db2.gz FLLCLOONVDJTLZ-GOSISDBHSA-N 0 0 480.606 2.808 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2C[C@]2(O)CCC[C@@H]2C)cc1OC ZINC001294939381 1062719438 /nfs/dbraw/zinc/71/94/38/1062719438.db2.gz QBDMFOXNSFDILX-BXKMTCNYSA-N 0 0 457.575 2.572 20 0 JFADRN CC(C)c1noc([C@@H](C)N2CCN(c3nnc(-c4ccccc4F)n3CCS(C)(=O)=O)CC2)n1 ZINC001287230990 1062719623 /nfs/dbraw/zinc/71/96/23/1062719623.db2.gz MNHUUARMWPJWEE-MRXNPFEDSA-N 0 0 491.593 2.518 20 0 JFADRN Cc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1Cc1cccc(NC(=O)C2CCCC2)c1 ZINC001290827145 1062720243 /nfs/dbraw/zinc/72/02/43/1062720243.db2.gz DMTPNZCYNRIRFW-LJQANCHMSA-N 0 0 474.631 2.529 20 0 JFADRN CC(C)[C@@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCn2cnnn2)C1 ZINC001287231500 1062720468 /nfs/dbraw/zinc/72/04/68/1062720468.db2.gz OSXPDLADFHZMFM-GOSISDBHSA-N 0 0 471.997 2.811 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCNC(=O)[C@@H]3CC)n2CC[C@H]2CCOC2)cc1OC ZINC001294939577 1062720556 /nfs/dbraw/zinc/72/05/56/1062720556.db2.gz ARSRTWILXVNDMY-HKUYNNGSSA-N 0 0 457.575 2.884 20 0 JFADRN CCOC(=O)N[C@@H](CNC(=O)c1cc(F)cc(I)c1N)CC(C)C ZINC001290827705 1062721010 /nfs/dbraw/zinc/72/10/10/1062721010.db2.gz QINTVTQJXDBOOG-LLVKDONJSA-N 0 0 451.280 2.903 20 0 JFADRN CC(C)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cc2F)C1 ZINC001287231740 1062721089 /nfs/dbraw/zinc/72/10/89/1062721089.db2.gz GPPGYVMGXZBGGO-OXQOHEQNSA-N 0 0 483.585 2.810 20 0 JFADRN CC(C)[C@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cc2F)C1 ZINC001287231739 1062721136 /nfs/dbraw/zinc/72/11/36/1062721136.db2.gz GPPGYVMGXZBGGO-OXJNMPFZSA-N 0 0 483.585 2.810 20 0 JFADRN CC(C)[C@H]1CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O ZINC001287231855 1062721633 /nfs/dbraw/zinc/72/16/33/1062721633.db2.gz NEASZAMBCNAHII-JPYJTQIMSA-N 0 0 458.994 2.965 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCO[C@@H](COC)C3)n2Cc2cc(C)on2)cc1OC ZINC001294939764 1062721658 /nfs/dbraw/zinc/72/16/58/1062721658.db2.gz BYOIJDUGYGRWJO-LJQANCHMSA-N 0 0 457.531 2.939 20 0 JFADRN CC(C)[C@H]1OCCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001287232104 1062722152 /nfs/dbraw/zinc/72/21/52/1062722152.db2.gz HTZXIVDZLVVHBW-CLAROIROSA-N 0 0 497.706 2.935 20 0 JFADRN CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)N(C)C)c2)C1 ZINC001287232165 1062722852 /nfs/dbraw/zinc/72/28/52/1062722852.db2.gz IIGDUXWDCIHYEA-RTWAWAEBSA-N 0 0 473.643 2.803 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCO[C@H]2C(C)C)cc1OC ZINC001294939978 1062723950 /nfs/dbraw/zinc/72/39/50/1062723950.db2.gz IZJDWLOGRPQBHH-AVRDEDQJSA-N 0 0 457.575 2.740 20 0 JFADRN Cc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001290832218 1062724093 /nfs/dbraw/zinc/72/40/93/1062724093.db2.gz KZVBFTHZKMXENF-INIZCTEOSA-N 0 0 459.494 2.538 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCNC(=O)[C@H]3CC)n2Cc2cnccc2OC)cc1OC ZINC001294940133 1062724441 /nfs/dbraw/zinc/72/44/41/1062724441.db2.gz MKPFMBHXNCACJR-LJQANCHMSA-N 0 0 480.569 2.909 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CC2(S(C)(=O)=O)CC2)cc1OC ZINC001294940078 1062724668 /nfs/dbraw/zinc/72/46/68/1062724668.db2.gz LKTLEZFOCRYSHI-INIZCTEOSA-N 0 0 464.588 2.545 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2C[C@@](C)(O)[C@@H](C)CC)cc1OC ZINC001294940194 1062725317 /nfs/dbraw/zinc/72/53/17/1062725317.db2.gz NZRJHVWYCLZUTO-SXMMONRFSA-N 0 0 486.617 2.753 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCNC(=O)[C@@H]3CC)n2Cc2cc(C)nn2C)cc1OC ZINC001294940299 1062725663 /nfs/dbraw/zinc/72/56/63/1062725663.db2.gz PUKNJYYMHWCYGB-IBGZPJMESA-N 0 0 467.574 2.548 20 0 JFADRN CC(C)[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 ZINC001287233486 1062725666 /nfs/dbraw/zinc/72/56/66/1062725666.db2.gz MWPIYUOSZFMAKT-VQTJNVASSA-N 0 0 459.616 2.695 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCNC(=O)[C@@H]3CC)n2CCC2(O)CCC2)cc1OC ZINC001294940249 1062725788 /nfs/dbraw/zinc/72/57/88/1062725788.db2.gz PAQSADJKQXXLAZ-SFHVURJKSA-N 0 0 457.575 2.762 20 0 JFADRN Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1Cc1cccnc1OCC(F)F ZINC001290833260 1062725873 /nfs/dbraw/zinc/72/58/73/1062725873.db2.gz JWKLRXNINVAFFS-SFHVURJKSA-N 0 0 484.573 2.505 20 0 JFADRN CC(C)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC(C)(C)C2)C1 ZINC001287233999 1062726628 /nfs/dbraw/zinc/72/66/28/1062726628.db2.gz RTCGBMQMJARIOB-RTBURBONSA-N 0 0 453.653 2.920 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCO[C@@H](COC)C3)n2Cc2cc(C)no2)cc1OC ZINC001294940961 1062726765 /nfs/dbraw/zinc/72/67/65/1062726765.db2.gz VEYMHWXUBRSMOH-LJQANCHMSA-N 0 0 457.531 2.939 20 0 JFADRN Cc1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1CCOc1cccc(F)c1 ZINC001290834598 1062726801 /nfs/dbraw/zinc/72/68/01/1062726801.db2.gz ZNWMHLVELNLDCO-HXUWFJFHSA-N 0 0 451.568 2.635 20 0 JFADRN CC(C)(C)OC(=O)NOCC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001294941876 1062728712 /nfs/dbraw/zinc/72/87/12/1062728712.db2.gz ADUPASUUSONDJF-UHFFFAOYSA-N 0 0 453.492 2.699 20 0 JFADRN CC(C)[C@H]1CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N1CCOCC1 ZINC001287237832 1062728894 /nfs/dbraw/zinc/72/88/94/1062728894.db2.gz BSVPWGBLNLWISX-WIYYLYMNSA-N 0 0 461.632 2.694 20 0 JFADRN COC(=O)[C@@H]1CO[C@H](CCC(=O)NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C1 ZINC001294942905 1062729147 /nfs/dbraw/zinc/72/91/47/1062729147.db2.gz NHYGCUQXHPBLGX-QFBILLFUSA-N 0 0 464.515 2.601 20 0 JFADRN CC(C)(C)OC(=O)[C@]1(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)CCCO1 ZINC001290840076 1062729168 /nfs/dbraw/zinc/72/91/68/1062729168.db2.gz SRACWUHUHASHHX-OAQYLSRUSA-N 0 0 456.461 2.881 20 0 JFADRN O=C(NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1coc2c1C(=O)NCCC2 ZINC001294942904 1062729218 /nfs/dbraw/zinc/72/92/18/1062729218.db2.gz NGWGAVXXOFLJCI-UHFFFAOYSA-N 0 0 457.483 2.826 20 0 JFADRN CC(C)[C@H]1CCCN1c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001287239744 1062729759 /nfs/dbraw/zinc/72/97/59/1062729759.db2.gz QWCXFDKCRLENNS-MRXNPFEDSA-N 0 0 453.996 2.558 20 0 JFADRN Cc1nnc(N2CCC[C@]3(CN(Cc4ccccc4)CCO3)C2)n1CCNC(=O)C(C)(C)C ZINC001290840685 1062730018 /nfs/dbraw/zinc/73/00/18/1062730018.db2.gz NLDHJDVVNXCPLY-VWLOTQADSA-N 0 0 454.619 2.620 20 0 JFADRN CCCOc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@]2(O)CCO[C@H]2C)cc1OC ZINC001294946197 1062730379 /nfs/dbraw/zinc/73/03/79/1062730379.db2.gz IKNYWCGAGIMRIG-AIDSWVIKSA-N 0 0 460.575 2.896 20 0 JFADRN CC(C)[C@H]1CCCN1c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)C(C)(C)C ZINC001287242318 1062730409 /nfs/dbraw/zinc/73/04/09/1062730409.db2.gz JCSPYMFQHOTOGJ-MRXNPFEDSA-N 0 0 451.593 2.844 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCS[C@@H](C)[C@@H]3C)n2CCS(=O)(=O)N(C)C)cc1OC ZINC001294945868 1062730424 /nfs/dbraw/zinc/73/04/24/1062730424.db2.gz HQBKBRJTENSRPB-IRXDYDNUSA-N 0 0 497.687 2.964 20 0 JFADRN CC(C)[C@@H]1CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCNS(C)(=O)=O ZINC001287243382 1062730515 /nfs/dbraw/zinc/73/05/15/1062730515.db2.gz QTLBVALBDFEPFC-FQEVSTJZSA-N 0 0 457.604 2.695 20 0 JFADRN Cc1nnc(N2CCCN(C(=O)c3ccccc3F)CC2)n1CCOCC(F)(F)C(F)F ZINC001290841808 1062730554 /nfs/dbraw/zinc/73/05/54/1062730554.db2.gz GNNHOTAWIWJVQU-UHFFFAOYSA-N 0 0 461.435 2.995 20 0 JFADRN Cc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001290842030 1062731022 /nfs/dbraw/zinc/73/10/22/1062731022.db2.gz KGEFGCSUPZNYMN-KRWDZBQOSA-N 0 0 468.499 2.962 20 0 JFADRN Cc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1CC(=O)N(C)C1CCCCC1 ZINC001290842522 1062731660 /nfs/dbraw/zinc/73/16/60/1062731660.db2.gz RHMNYIQUKUYIQE-UHFFFAOYSA-N 0 0 470.593 2.798 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H](C)SC)cc1OC ZINC001294947665 1062732194 /nfs/dbraw/zinc/73/21/94/1062732194.db2.gz SZLULRUFKQSBJD-HNNXBMFYSA-N 0 0 454.618 2.729 20 0 JFADRN Cc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1Cc1sccc1Br ZINC001290845842 1062732243 /nfs/dbraw/zinc/73/22/43/1062732243.db2.gz SYDMEIWJDGYLOP-UHFFFAOYSA-N 0 0 467.437 2.593 20 0 JFADRN CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F ZINC001287246864 1062732417 /nfs/dbraw/zinc/73/24/17/1062732417.db2.gz PPWUNDIEJIVAOR-SJORKVTESA-N 0 0 469.558 2.892 20 0 JFADRN CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1 ZINC001287246574 1062732458 /nfs/dbraw/zinc/73/24/58/1062732458.db2.gz NHFPXSLVHJYHBJ-SQNIBIBYSA-N 0 0 457.666 2.522 20 0 JFADRN CC(C)[C@@H]1CCCN1c1nnc(Cc2ccsc2)n1CCS(=O)(=O)N1CCSCC1 ZINC001287247286 1062733112 /nfs/dbraw/zinc/73/31/12/1062733112.db2.gz XDOLCSFVMCQXKX-SFHVURJKSA-N 0 0 469.702 2.934 20 0 JFADRN CCCOc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2CC2(C(N)=O)CCOCC2)cc1OC ZINC001294947900 1062733397 /nfs/dbraw/zinc/73/33/97/1062733397.db2.gz VVFMAWJGLMUGPL-QGZVFWFLSA-N 0 0 489.642 2.966 20 0 JFADRN CCCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC(=O)NC)CC2)cc1 ZINC001294948973 1062735014 /nfs/dbraw/zinc/73/50/14/1062735014.db2.gz QMULHNOWSYDHAF-UHFFFAOYSA-N 0 0 468.602 2.704 20 0 JFADRN CC(C)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(O)CCSC2)CC1 ZINC001287252813 1062735609 /nfs/dbraw/zinc/73/56/09/1062735609.db2.gz JTVRUUOHVXJQFE-HSZRJFAPSA-N 0 0 493.699 2.936 20 0 JFADRN CC(C)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(O)CCSC2)CC1 ZINC001287252814 1062735639 /nfs/dbraw/zinc/73/56/39/1062735639.db2.gz JTVRUUOHVXJQFE-QHCPKHFHSA-N 0 0 493.699 2.936 20 0 JFADRN CCCOc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCNC(=O)CC2)cn1 ZINC001294950236 1062736728 /nfs/dbraw/zinc/73/67/28/1062736728.db2.gz VQNKSHCWMCVBAX-UHFFFAOYSA-N 0 0 488.390 2.605 20 0 JFADRN Cc1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001290852419 1062736785 /nfs/dbraw/zinc/73/67/85/1062736785.db2.gz LMQLGDGUDLQFEW-UHFFFAOYSA-N 0 0 468.606 2.893 20 0 JFADRN CC(C)[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCNC(=O)C(C)(C)C)C1 ZINC001287259321 1062737877 /nfs/dbraw/zinc/73/78/77/1062737877.db2.gz WRZNYNBFPNBDLT-KRWDZBQOSA-N 0 0 465.602 2.837 20 0 JFADRN O=C(c1nc[nH]c1C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1)c1ccccc1 ZINC001290853332 1062737973 /nfs/dbraw/zinc/73/79/73/1062737973.db2.gz BCEZDYCSFFYFFJ-UHFFFAOYSA-N 0 0 454.433 2.840 20 0 JFADRN CCCOc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@H](C(=O)OC)C2)cn1 ZINC001294952310 1062738610 /nfs/dbraw/zinc/73/86/10/1062738610.db2.gz GDNWCOPFSZWEQP-IBGZPJMESA-N 0 0 499.593 2.580 20 0 JFADRN CCCOc1ccc(Cn2c(-c3ccccc3F)nnc2N2CCN(CCOC)C(=O)C2)cn1 ZINC001294952281 1062738632 /nfs/dbraw/zinc/73/86/32/1062738632.db2.gz FHKGHXVTCQTWTR-UHFFFAOYSA-N 0 0 468.533 2.611 20 0 JFADRN O=C(NCCc1csc(-c2ccccc2)n1)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC001294953630 1062739137 /nfs/dbraw/zinc/73/91/37/1062739137.db2.gz JSCCECRWPIKQPL-UHFFFAOYSA-N 0 0 457.577 2.804 20 0 JFADRN CC(C)[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOC2CCCCCC2)C1 ZINC001287264834 1062739649 /nfs/dbraw/zinc/73/96/49/1062739649.db2.gz FJPAPUVUBMDHQF-FPOVZHCZSA-N 0 0 483.679 2.833 20 0 JFADRN Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001290856388 1062739793 /nfs/dbraw/zinc/73/97/93/1062739793.db2.gz CYOXJLGATUMJGO-QGZVFWFLSA-N 0 0 472.590 2.547 20 0 JFADRN Cc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1CCc1ccccc1OC(F)F ZINC001290856439 1062739925 /nfs/dbraw/zinc/73/99/25/1062739925.db2.gz FTVNTYUQWXIYRJ-QGZVFWFLSA-N 0 0 476.572 3.000 20 0 JFADRN CC(C)[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001287265292 1062740164 /nfs/dbraw/zinc/74/01/64/1062740164.db2.gz LBRXBDLIEQXERK-QZTJIDSGSA-N 0 0 497.662 2.646 20 0 JFADRN NS(=O)(=O)c1sccc1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC001294955708 1062740141 /nfs/dbraw/zinc/74/01/41/1062740141.db2.gz ZMNIVXMVKOAYJO-UHFFFAOYSA-N 0 0 458.403 2.552 20 0 JFADRN CC(C)[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN(C)CC(F)(F)F)C1 ZINC001287265487 1062741104 /nfs/dbraw/zinc/74/11/04/1062741104.db2.gz OVJSLKGLHUALAC-CVEARBPZSA-N 0 0 451.559 2.547 20 0 JFADRN CC(C)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCSC2)CC1 ZINC001287265556 1062741618 /nfs/dbraw/zinc/74/16/18/1062741618.db2.gz QOTBXNMDCVRXJN-PKOBYXMFSA-N 0 0 471.693 2.627 20 0 JFADRN CCCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)C)CC2)cc1OC ZINC001294959109 1062741955 /nfs/dbraw/zinc/74/19/55/1062741955.db2.gz DCCCASOIJSVFSA-FQEVSTJZSA-N 0 0 491.658 2.556 20 0 JFADRN CCCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)OC)CC2)cc1OC ZINC001294960502 1062742972 /nfs/dbraw/zinc/74/29/72/1062742972.db2.gz RPLICHMTRXVFFN-IBGZPJMESA-N 0 0 473.574 2.906 20 0 JFADRN CC(C)[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N(C)c2ccccc2)C1 ZINC001287265928 1062743279 /nfs/dbraw/zinc/74/32/79/1062743279.db2.gz YSHYQMIMRLIKDN-SJBKTWHCSA-N 0 0 490.674 2.618 20 0 JFADRN Cc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1CCS(=O)(=O)CC1CC1 ZINC001290859110 1062743230 /nfs/dbraw/zinc/74/32/30/1062743230.db2.gz YXLPLMUPTLGEHJ-OAHLLOKOSA-N 0 0 453.559 2.573 20 0 JFADRN Cc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1CCS(=O)(=O)CC1CC1 ZINC001290859108 1062743447 /nfs/dbraw/zinc/74/34/47/1062743447.db2.gz YXLPLMUPTLGEHJ-HNNXBMFYSA-N 0 0 453.559 2.573 20 0 JFADRN CS(=O)(=O)c1ccc(OCCCC(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC001294963039 1062744324 /nfs/dbraw/zinc/74/43/24/1062744324.db2.gz DRZGFILAANPIII-APWZRJJASA-N 0 0 453.582 2.662 20 0 JFADRN CCCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)OCC)CC2)cc1 ZINC001294962406 1062744349 /nfs/dbraw/zinc/74/43/49/1062744349.db2.gz KXDZMBSRRKUCAG-UHFFFAOYSA-N 0 0 451.531 2.851 20 0 JFADRN COc1ccc([C@H](C)NC(=O)CCOc2ccc(S(N)(=O)=O)cc2)cc1Br ZINC001290860689 1062744679 /nfs/dbraw/zinc/74/46/79/1062744679.db2.gz GLTCUTBRTHNOLY-LBPRGKRZSA-N 0 0 457.346 2.751 20 0 JFADRN CC(C)[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNS(=O)(=O)Cc2ccon2)C1 ZINC001287270723 1062745066 /nfs/dbraw/zinc/74/50/66/1062745066.db2.gz DBRZAMOKTLYDBW-MISYRCLQSA-N 0 0 494.662 2.787 20 0 JFADRN C[C@@](O)(C(=O)NCCCS(=O)(=O)Cc1ccccc1)c1ccc(F)c(Br)c1 ZINC001290861768 1062745221 /nfs/dbraw/zinc/74/52/21/1062745221.db2.gz ZCMTYOLUHIRWHK-IBGZPJMESA-N 0 0 458.349 2.917 20 0 JFADRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001290861245 1062745368 /nfs/dbraw/zinc/74/53/68/1062745368.db2.gz PNVOXAJLMVENSM-CADBVGFASA-N 0 0 457.637 2.590 20 0 JFADRN CCCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](NC(=O)CC)C2)cc1 ZINC001294963283 1062745442 /nfs/dbraw/zinc/74/54/42/1062745442.db2.gz QWOGNTYTTDMKQW-QUCCMNQESA-N 0 0 454.575 2.561 20 0 JFADRN CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c2ccccc21 ZINC001290861774 1062745941 /nfs/dbraw/zinc/74/59/41/1062745941.db2.gz ZFOFWEAEUYJBGX-IRXDYDNUSA-N 0 0 451.589 2.703 20 0 JFADRN CC(C)(C)OC(=O)NCc1nc(C(=O)NCCCS(=O)(=O)Cc2ccccc2)cs1 ZINC001290862545 1062746450 /nfs/dbraw/zinc/74/64/50/1062746450.db2.gz PSEZAIFJZSIXKV-UHFFFAOYSA-N 0 0 453.586 2.903 20 0 JFADRN CCCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](CNC(C)=O)C2)cn1 ZINC001294965802 1062747759 /nfs/dbraw/zinc/74/77/59/1062747759.db2.gz SIZOXYPXEJXZLR-NRFANRHFSA-N 0 0 463.586 2.849 20 0 JFADRN COc1cc2[nH]c(CCCNC(=O)c3[nH]ncc3I)cc2c(OC)c1 ZINC001294966166 1062748514 /nfs/dbraw/zinc/74/85/14/1062748514.db2.gz ABPSFPMFZJVPFA-UHFFFAOYSA-N 0 0 454.268 2.875 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCSC2)CCO1 ZINC001287274288 1062748436 /nfs/dbraw/zinc/74/84/36/1062748436.db2.gz MTULVOPRVVBRLU-QAPCUYQASA-N 0 0 456.410 2.765 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CCO1 ZINC001287274360 1062748950 /nfs/dbraw/zinc/74/89/50/1062748950.db2.gz OLIHDPBVCWDJKX-CQSZACIVSA-N 0 0 489.930 2.829 20 0 JFADRN CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NC[C@H](CO)Cc2ccc(F)cc2)cc1 ZINC001294967659 1062748891 /nfs/dbraw/zinc/74/88/91/1062748891.db2.gz AZKSIHQOORZAGY-GOSISDBHSA-N 0 0 450.576 2.759 20 0 JFADRN Cc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001290867126 1062749526 /nfs/dbraw/zinc/74/95/26/1062749526.db2.gz IQGNFFXETIAKDJ-UHFFFAOYSA-N 0 0 454.472 2.537 20 0 JFADRN CCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C(C)(C)C)C2)cn1 ZINC001294968115 1062749601 /nfs/dbraw/zinc/74/96/01/1062749601.db2.gz GMCPNRRHJSFGRM-IBGZPJMESA-N 0 0 456.591 2.884 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC(=O)N(C)C)CCO1 ZINC001287274523 1062750055 /nfs/dbraw/zinc/75/00/55/1062750055.db2.gz RDKNMFRWHLMPEL-INIZCTEOSA-N 0 0 454.344 2.796 20 0 JFADRN CCCOc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(C(C)=O)CC2)cc1 ZINC001294968488 1062750614 /nfs/dbraw/zinc/75/06/14/1062750614.db2.gz LTFBWZBJKYCNEJ-UHFFFAOYSA-N 0 0 482.610 2.775 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2Cc2nnn(C)n2)CCS1 ZINC001287274701 1062751929 /nfs/dbraw/zinc/75/19/29/1062751929.db2.gz VYHLFQVGXHJNGJ-HNNXBMFYSA-N 0 0 481.399 2.996 20 0 JFADRN Cc1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1Cc1ccsc1Br ZINC001290869069 1062752155 /nfs/dbraw/zinc/75/21/55/1062752155.db2.gz BFTOUWYAEPBBKN-UHFFFAOYSA-N 0 0 489.443 2.897 20 0 JFADRN O=C(Cc1ccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1)NCCO ZINC001294969654 1062752362 /nfs/dbraw/zinc/75/23/62/1062752362.db2.gz SLMVJTSLYGVLGO-UHFFFAOYSA-N 0 0 458.518 2.905 20 0 JFADRN CCCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCN(C)C(=O)[C@H]2C)cn1 ZINC001294969834 1062752475 /nfs/dbraw/zinc/75/24/75/1062752475.db2.gz ZXVKNGVBPJXOQW-OAHLLOKOSA-N 0 0 455.588 2.533 20 0 JFADRN Cc1c(C(=O)NC[C@@H](c2cccc(C)c2)N2CCOCC2)cnn1CCO[C@@H]1CCCCO1 ZINC001290869211 1062752784 /nfs/dbraw/zinc/75/27/84/1062752784.db2.gz HMRLJHZLYGPBIR-BJKOFHAPSA-N 0 0 456.587 2.846 20 0 JFADRN CCCOc1ccc(Cn2c(N3CCN(CC(=O)NC4CC4)CC3)nnc2C(C)(C)C)cc1OC ZINC001294971033 1062753006 /nfs/dbraw/zinc/75/30/06/1062753006.db2.gz HPBNHZDQEJHHEC-UHFFFAOYSA-N 0 0 484.645 2.822 20 0 JFADRN Cc1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n1CCOc1ccc(F)c(F)c1 ZINC001290869599 1062753292 /nfs/dbraw/zinc/75/32/92/1062753292.db2.gz KDFZCTAIDOSYKT-MJGOQNOKSA-N 0 0 476.572 2.761 20 0 JFADRN Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1CCCOc1ccccc1 ZINC001290869610 1062753723 /nfs/dbraw/zinc/75/37/23/1062753723.db2.gz KEULAPLFWUUMSH-RBBKRZOGSA-N 0 0 454.619 2.873 20 0 JFADRN CCCOc1cccc(CCn2c(-c3ccccn3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC001294971859 1062753981 /nfs/dbraw/zinc/75/39/81/1062753981.db2.gz HILLENMLLUBMCF-IBGZPJMESA-N 0 0 455.584 2.995 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2cn[nH]c2)CCS1 ZINC001287277207 1062753991 /nfs/dbraw/zinc/75/39/91/1062753991.db2.gz KWUHLMMLXZSYRI-FQEVSTJZSA-N 0 0 489.671 2.739 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([S@](C)=O)CC2)CCS1 ZINC001287277284 1062754151 /nfs/dbraw/zinc/75/41/51/1062754151.db2.gz NCRAKMDKPNUMLT-PBYQXAPXSA-N 0 0 482.697 2.838 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCS(C)(=O)=O)CCS1 ZINC001287277799 1062755255 /nfs/dbraw/zinc/75/52/55/1062755255.db2.gz XWBAOEWCYTXYEC-GOSISDBHSA-N 0 0 452.602 2.686 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(-c3cccn3C)n2CC[C@H](N2CCOCC2)C(F)(F)F)CCO1 ZINC001287279914 1062755754 /nfs/dbraw/zinc/75/57/54/1062755754.db2.gz FCZIRHDHOROSHU-MOPGFXCFSA-N 0 0 470.540 2.798 20 0 JFADRN CCCOc1cccc(CCn2c(C(C)C)nnc2N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)c1 ZINC001294972915 1062755772 /nfs/dbraw/zinc/75/57/72/1062755772.db2.gz OWEKTTDAZUOSHG-LJQANCHMSA-N 0 0 466.590 2.965 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(-c3ccccc3)n2CCNS(=O)(=O)Cc2ccon2)CCS1 ZINC001287280577 1062756912 /nfs/dbraw/zinc/75/69/12/1062756912.db2.gz RZQABMQPZLLEHK-LJQANCHMSA-N 0 0 476.628 2.631 20 0 JFADRN Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001290871650 1062757057 /nfs/dbraw/zinc/75/70/57/1062757057.db2.gz GFVFQRXRTUESGM-INIZCTEOSA-N 0 0 454.472 2.662 20 0 JFADRN CCCOc1ncccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 ZINC001294973567 1062757634 /nfs/dbraw/zinc/75/76/34/1062757634.db2.gz FTZCFSJDBOWISR-UHFFFAOYSA-N 0 0 491.596 2.742 20 0 JFADRN Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1Cc1cc2c(cc1OC(F)F)OCO2 ZINC001290871716 1062757710 /nfs/dbraw/zinc/75/77/10/1062757710.db2.gz HDBPLMKJKYGFNR-UHFFFAOYSA-N 0 0 481.397 2.987 20 0 JFADRN Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1Cc1cccc(N2CCCC2=O)c1 ZINC001290872146 1062758168 /nfs/dbraw/zinc/75/81/68/1062758168.db2.gz TZBHSSMVKMBBRW-UHFFFAOYSA-N 0 0 454.472 2.784 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)Cc2cccc(F)c2)CCS1 ZINC001287284459 1062759623 /nfs/dbraw/zinc/75/96/23/1062759623.db2.gz XSQNWBJEHIQSDC-HXUWFJFHSA-N 0 0 471.606 2.754 20 0 JFADRN O=C(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)NC[C@@H](CO)c1ccccc1 ZINC001294976739 1062760226 /nfs/dbraw/zinc/76/02/26/1062760226.db2.gz MULMZQUSSRBTGB-ZDUSSCGKSA-N 0 0 450.866 2.529 20 0 JFADRN CC(C)[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C(C)C)CC2)CCS1 ZINC001287286887 1062760756 /nfs/dbraw/zinc/76/07/56/1062760756.db2.gz JGYQBUFYONAELE-ZWKOTPCHSA-N 0 0 471.693 2.625 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 ZINC001287287073 1062761220 /nfs/dbraw/zinc/76/12/20/1062761220.db2.gz KLBREBHPARQQEU-RTWAWAEBSA-N 0 0 462.616 2.648 20 0 JFADRN CC(C)[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(F)cccc2Cl)CCO1 ZINC001287287040 1062761254 /nfs/dbraw/zinc/76/12/54/1062761254.db2.gz KCBKNUKENTUPMJ-KBXCAEBGSA-N 0 0 456.971 2.882 20 0 JFADRN O=C(Nc1ccc(I)cc1Cl)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001290876630 1062761306 /nfs/dbraw/zinc/76/13/06/1062761306.db2.gz CVSYCYJQBAGFMX-KGLIPLIRSA-N 0 0 457.655 2.854 20 0 JFADRN CCCOc1ncccc1Cn1c(-c2cccc(OC)c2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001294977571 1062761582 /nfs/dbraw/zinc/76/15/82/1062761582.db2.gz JUNNHXOBBSIAFE-FQEVSTJZSA-N 0 0 450.543 2.901 20 0 JFADRN CCCOc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ccccc2C1 ZINC001294978067 1062761624 /nfs/dbraw/zinc/76/16/24/1062761624.db2.gz ODPMOKLELWKRIM-SFHVURJKSA-N 0 0 499.641 2.577 20 0 JFADRN CC(C)[C@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC(=O)NC(C)(C)C)CCO1 ZINC001287287758 1062761672 /nfs/dbraw/zinc/76/16/72/1062761672.db2.gz OFTCAMYFYHEHHT-UXHICEINSA-N 0 0 457.575 2.957 20 0 JFADRN COc1cc(C[C@@H](CO)CNC(=O)c2cn3c(Br)cnc3s2)cc(OC)c1 ZINC001294979426 1062762682 /nfs/dbraw/zinc/76/26/82/1062762682.db2.gz CUKYGTBSTIJATK-GFCCVEGCSA-N 0 0 454.346 2.757 20 0 JFADRN CC(C)[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN(C)c2ccccc2)CCO1 ZINC001287288122 1062763047 /nfs/dbraw/zinc/76/30/47/1062763047.db2.gz QFUHMTJEMOKXKA-IFMALSPDSA-N 0 0 475.659 2.958 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2ccccc2)CCS1 ZINC001287288430 1062763476 /nfs/dbraw/zinc/76/34/76/1062763476.db2.gz RJFXDLUBADBOHH-SFTDATJTSA-N 0 0 493.699 2.822 20 0 JFADRN COc1cc(C[C@H](CO)CNC(=O)c2nn(C(C)(C)C)cc2Br)cc(OC)c1 ZINC001294980589 1062763414 /nfs/dbraw/zinc/76/34/14/1062763414.db2.gz VKGCCHMQJFDTJN-AWEZNQCLSA-N 0 0 454.365 2.999 20 0 JFADRN Cc1nnc(N2CCN(CCOc3ccccc3Cl)CC2)n1CCN1CCOCC1(C)C ZINC001290879699 1062763519 /nfs/dbraw/zinc/76/35/19/1062763519.db2.gz WAUABWDXBXJPHC-UHFFFAOYSA-N 0 0 463.026 2.552 20 0 JFADRN CCCOc1ncccc1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001294980984 1062763917 /nfs/dbraw/zinc/76/39/17/1062763917.db2.gz LNXBBWHIRYMLQH-GOSISDBHSA-N 0 0 480.569 2.896 20 0 JFADRN CCCOc1ncccc1Cn1c(COc2ccccc2F)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001294981080 1062763969 /nfs/dbraw/zinc/76/39/69/1062763969.db2.gz AFOYGGHLDGPRBG-XMMPIXPASA-N 0 0 468.533 2.930 20 0 JFADRN CCCOc1ncccc1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)CC1 ZINC001294981140 1062764436 /nfs/dbraw/zinc/76/44/36/1062764436.db2.gz NZJCIMQMSKYPKH-UHFFFAOYSA-N 0 0 466.542 2.521 20 0 JFADRN CCCOc1ncccc1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001294981920 1062766233 /nfs/dbraw/zinc/76/62/33/1062766233.db2.gz WIMXSKYUFFVQMR-QGZVFWFLSA-N 0 0 480.569 2.861 20 0 JFADRN CCCOc1ncccc1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001294982629 1062766722 /nfs/dbraw/zinc/76/67/22/1062766722.db2.gz QYHBJEQERRVPRV-DEOSSOPVSA-N 0 0 452.534 2.942 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC2(C(=O)N(C)C)CCCC2)CCO1 ZINC001287295511 1062766936 /nfs/dbraw/zinc/76/69/36/1062766936.db2.gz DSUMJNUEPRKSOD-SFHVURJKSA-N 0 0 488.658 2.779 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCC(=O)N2CCOCC2)CCS1 ZINC001287295372 1062766983 /nfs/dbraw/zinc/76/69/83/1062766983.db2.gz AYGZWXNOSMQMDP-NRFANRHFSA-N 0 0 473.643 2.726 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCS(=O)(=O)C2)CCS1 ZINC001287295607 1062767391 /nfs/dbraw/zinc/76/73/91/1062767391.db2.gz GTOHOOZQELEGMZ-UYAOXDASSA-N 0 0 464.657 2.912 20 0 JFADRN CCCOc1ncccc1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OC)CC1 ZINC001294982682 1062767415 /nfs/dbraw/zinc/76/74/15/1062767415.db2.gz SWUTWTJKDNLZCP-UHFFFAOYSA-N 0 0 471.587 2.754 20 0 JFADRN CCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001294982831 1062767926 /nfs/dbraw/zinc/76/79/26/1062767926.db2.gz CAWFFHDJFAUQNQ-RXVVDRJESA-N 0 0 497.644 2.838 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCNC(=O)c2ccco2)CCO1 ZINC001287295850 1062768402 /nfs/dbraw/zinc/76/84/02/1062768402.db2.gz MAOXSRPOLGNRIV-NRFANRHFSA-N 0 0 453.543 2.784 20 0 JFADRN CC(C)[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCn2ccnn2)CCS1 ZINC001287295859 1062768467 /nfs/dbraw/zinc/76/84/67/1062768467.db2.gz MGWXZFGOFPAXJH-QGZVFWFLSA-N 0 0 460.633 2.529 20 0 JFADRN CCCOc1ncccc1Cn1c(C2CC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001294983125 1062768591 /nfs/dbraw/zinc/76/85/91/1062768591.db2.gz FNIDTKGXWODTMS-OAHLLOKOSA-N 0 0 452.481 2.892 20 0 JFADRN C[C@@H]1CCCN(CCNC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 ZINC001290891514 1062768709 /nfs/dbraw/zinc/76/87/09/1062768709.db2.gz NLUHBXBYLLGCAL-AEFFLSMTSA-N 0 0 459.450 2.891 20 0 JFADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001287298354 1062769791 /nfs/dbraw/zinc/76/97/91/1062769791.db2.gz AQPISVZTFQGLCP-KNQAVFIVSA-N 0 0 483.617 2.681 20 0 JFADRN COC(=O)CNS(=O)(=O)c1cccc(NC(=O)c2cnn(-c3cc(C)ccc3C)c2C)c1 ZINC001290893189 1062769892 /nfs/dbraw/zinc/76/98/92/1062769892.db2.gz BMGKMEQBKZUMRT-UHFFFAOYSA-N 0 0 456.524 2.501 20 0 JFADRN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001290894484 1062770421 /nfs/dbraw/zinc/77/04/21/1062770421.db2.gz OSOBRAAUFXEKCQ-XFBWCDHKSA-N 0 0 454.898 2.863 20 0 JFADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001287298716 1062771092 /nfs/dbraw/zinc/77/10/92/1062771092.db2.gz GLYIFHWRGHYTPF-BLIXFSHQSA-N 0 0 489.020 2.590 20 0 JFADRN CC(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(CCO)Cc1ccccc1 ZINC001287298862 1062771684 /nfs/dbraw/zinc/77/16/84/1062771684.db2.gz IVJFGOPMGSOPKB-IFMALSPDSA-N 0 0 464.570 2.985 20 0 JFADRN CCCOc1ncccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001294985711 1062771969 /nfs/dbraw/zinc/77/19/69/1062771969.db2.gz VYMUVTJBLOIQTR-TZIWHRDSSA-N 0 0 456.591 2.757 20 0 JFADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001287298937 1062772124 /nfs/dbraw/zinc/77/21/24/1062772124.db2.gz JVBKZKQNEHAZFW-VKJFTORMSA-N 0 0 479.423 2.774 20 0 JFADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001287298936 1062772228 /nfs/dbraw/zinc/77/22/28/1062772228.db2.gz JVBKZKQNEHAZFW-RKVPGOIHSA-N 0 0 479.423 2.774 20 0 JFADRN CCCO[C@@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001294985953 1062772513 /nfs/dbraw/zinc/77/25/13/1062772513.db2.gz BHFPINKKDNMHEF-WOJBJXKFSA-N 0 0 489.020 2.926 20 0 JFADRN CC(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001287299212 1062772653 /nfs/dbraw/zinc/77/26/53/1062772653.db2.gz PGAXCUWPODEVHU-LEWJYISDSA-N 0 0 474.650 2.658 20 0 JFADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001287299266 1062773255 /nfs/dbraw/zinc/77/32/55/1062773255.db2.gz QPGNMWAWKGTVCD-AABGKKOBSA-N 0 0 474.650 2.706 20 0 JFADRN CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC001290901733 1062773354 /nfs/dbraw/zinc/77/33/54/1062773354.db2.gz IWJNUTPLTFXFBS-LJQANCHMSA-N 0 0 452.640 2.671 20 0 JFADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001287303922 1062774526 /nfs/dbraw/zinc/77/45/26/1062774526.db2.gz AGLXKRIARNFZBT-CTNGQTDRSA-N 0 0 461.632 2.866 20 0 JFADRN Cc1noc([C@@H](C)N2CCN(c3nnc(Cc4ccsc4)n3C[C@@](C)(O)C(C)C)CC2)n1 ZINC001290902248 1062774489 /nfs/dbraw/zinc/77/44/89/1062774489.db2.gz HLLWOFMOMNSGEX-OPAMFIHVSA-N 0 0 459.620 2.912 20 0 JFADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001287304269 1062775049 /nfs/dbraw/zinc/77/50/49/1062775049.db2.gz CAGZWLJPHWPUPI-NSHGMRRFSA-N 0 0 480.535 2.830 20 0 JFADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001287304299 1062775069 /nfs/dbraw/zinc/77/50/69/1062775069.db2.gz CJQAPPJUGQIZKP-GMAHTHKFSA-N 0 0 456.635 2.872 20 0 JFADRN CCCO[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NC2CCCCC2)CC1 ZINC001294987208 1062775116 /nfs/dbraw/zinc/77/51/16/1062775116.db2.gz OEOAZQHLAPSYPW-HXUWFJFHSA-N 0 0 460.623 2.749 20 0 JFADRN CCS(=O)(=O)NC1CCN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 ZINC001290902417 1062775177 /nfs/dbraw/zinc/77/51/77/1062775177.db2.gz PPPJLKCTNKUYFI-UHFFFAOYSA-N 0 0 451.589 2.918 20 0 JFADRN CCCO[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 ZINC001294987282 1062775674 /nfs/dbraw/zinc/77/56/74/1062775674.db2.gz OWENPVQWODHINC-SFTDATJTSA-N 0 0 460.623 2.558 20 0 JFADRN CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001287305622 1062776233 /nfs/dbraw/zinc/77/62/33/1062776233.db2.gz GWEAOFSARBJGQW-BJLQDIEVSA-N 0 0 480.535 2.830 20 0 JFADRN Cc1noc([C@@H](C)N2CCN(c3nnc([C@H]4CCCOC4)n3CC(F)(F)Br)CC2)n1 ZINC001290902632 1062776431 /nfs/dbraw/zinc/77/64/31/1062776431.db2.gz NQSCVTWFRKXZMF-OCCSQVGLSA-N 0 0 490.353 2.734 20 0 JFADRN COC[C@@](C)(NC(=O)CCN(C)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC ZINC001294988800 1062776847 /nfs/dbraw/zinc/77/68/47/1062776847.db2.gz CNVNCZXWSNKDGT-RUZDIDTESA-N 0 0 454.523 2.952 20 0 JFADRN COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)c2)c1 ZINC001294989775 1062777420 /nfs/dbraw/zinc/77/74/20/1062777420.db2.gz CFUINQDCIGQJPR-PMACEKPBSA-N 0 0 453.495 2.545 20 0 JFADRN COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)c2)c1 ZINC001294989777 1062777852 /nfs/dbraw/zinc/77/78/52/1062777852.db2.gz CFUINQDCIGQJPR-VQTJNVASSA-N 0 0 453.495 2.545 20 0 JFADRN CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001287306777 1062777967 /nfs/dbraw/zinc/77/79/67/1062777967.db2.gz LEUFEYXPEQWNCR-KONPQCLYSA-N 0 0 459.513 2.838 20 0 JFADRN Cc1noc([C@H](C)N2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCC(C)(C)O)CC2)n1 ZINC001290903285 1062778108 /nfs/dbraw/zinc/77/81/08/1062778108.db2.gz WUSBPAWJWDSNFR-AWEZNQCLSA-N 0 0 460.970 2.729 20 0 JFADRN Cc1noc([C@@H](C)N2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCCC(C)(C)C)CC2)n1 ZINC001290903293 1062778169 /nfs/dbraw/zinc/77/81/69/1062778169.db2.gz WVQZTKQNDYGZDB-AEFFLSMTSA-N 0 0 479.651 2.581 20 0 JFADRN C[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC001294990638 1062778436 /nfs/dbraw/zinc/77/84/36/1062778436.db2.gz HVGVCTIUVDTVGJ-GXFFZTMASA-N 0 0 459.366 2.640 20 0 JFADRN CCCO[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(OC)CCOC2)CC1 ZINC001294990288 1062778549 /nfs/dbraw/zinc/77/85/49/1062778549.db2.gz DEVPACRYISKMFY-YKSBVNFPSA-N 0 0 492.642 2.940 20 0 JFADRN Cc1noc([C@@H](C)N2CCN(c3nnc(-c4ccccc4Cl)n3CC(=O)NC(C)C)CC2)n1 ZINC001290903355 1062778716 /nfs/dbraw/zinc/77/87/16/1062778716.db2.gz XULDBBKPEAWZRV-OAHLLOKOSA-N 0 0 472.981 2.698 20 0 JFADRN Cc1noc([C@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CC3([S@@](C)=O)CCC3)CC2)n1 ZINC001290903488 1062779206 /nfs/dbraw/zinc/77/92/06/1062779206.db2.gz YXBWQBGPCFDHPO-MWOWJKGTSA-N 0 0 463.652 2.743 20 0 JFADRN 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JFADRN CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccccc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001295017333 1062814214 /nfs/dbraw/zinc/81/42/14/1062814214.db2.gz KPUDFSCDZXCJHW-FDDCHVKYSA-N 0 0 461.632 2.794 20 0 JFADRN Cc1noc(C)c1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCS(C)(=O)=O ZINC001290939014 1062814186 /nfs/dbraw/zinc/81/41/86/1062814186.db2.gz ZYWSPZGJJKGSQZ-QGZVFWFLSA-N 0 0 496.634 2.527 20 0 JFADRN CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C)cc2)CC1 ZINC001295017356 1062814600 /nfs/dbraw/zinc/81/46/00/1062814600.db2.gz LEGMVBCGFZUDDK-UHFFFAOYSA-N 0 0 454.600 2.995 20 0 JFADRN COc1ccc(NC(=O)c2nccc3c2cccc3S(N)(=O)=O)cc1N1CCCCC1=O ZINC001290939784 1062814699 /nfs/dbraw/zinc/81/46/99/1062814699.db2.gz ULTVHGKQEGBIPV-UHFFFAOYSA-N 0 0 454.508 2.660 20 0 JFADRN CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C)o3)n2Cc2csc(COC)n2)CC1 ZINC001295017684 1062815243 /nfs/dbraw/zinc/81/52/43/1062815243.db2.gz LUNXJKYTXPAWSI-UHFFFAOYSA-N 0 0 494.643 2.796 20 0 JFADRN CCCS(=O)(=O)NC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@H](C)OC)CC1 ZINC001295017734 1062815568 /nfs/dbraw/zinc/81/55/68/1062815568.db2.gz NZRDDPWDUWGPQL-KRWDZBQOSA-N 0 0 487.630 2.668 20 0 JFADRN CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 ZINC001295017981 1062816410 /nfs/dbraw/zinc/81/64/10/1062816410.db2.gz QCVPFUQBPAHZGP-HOYKHHGWSA-N 0 0 491.658 2.803 20 0 JFADRN Cc1noc(C2(C)CCN(c3nnc([C@@H]4CCCOC4)n3CCCNC(=O)C(C)C)CC2)n1 ZINC001290943324 1062816501 /nfs/dbraw/zinc/81/65/01/1062816501.db2.gz IXMRMFAMSMYCJQ-GOSISDBHSA-N 0 0 459.595 2.584 20 0 JFADRN CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2cccnc2)CC1 ZINC001295018057 1062816901 /nfs/dbraw/zinc/81/69/01/1062816901.db2.gz RFSUMCWGODIZLI-UHFFFAOYSA-N 0 0 484.626 2.890 20 0 JFADRN CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)c(F)c2)CC1 ZINC001295018214 1062817395 /nfs/dbraw/zinc/81/73/95/1062817395.db2.gz TVUGGUUGKHTOSN-UHFFFAOYSA-N 0 0 488.589 2.834 20 0 JFADRN CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(F)cc2)CC1 ZINC001295018215 1062817470 /nfs/dbraw/zinc/81/74/70/1062817470.db2.gz TWEUSJOXSXDCQD-UHFFFAOYSA-N 0 0 460.579 2.769 20 0 JFADRN Cc1noc([C@H]2CCCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC(C)(C)C3CC3)C2)n1 ZINC001290943804 1062817697 /nfs/dbraw/zinc/81/76/97/1062817697.db2.gz MEBGJQOGBWBSHB-HOCLYGCPSA-N 0 0 465.624 2.790 20 0 JFADRN Cc1c(Cl)c(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)sc1S(N)(=O)=O ZINC001290944271 1062818123 /nfs/dbraw/zinc/81/81/23/1062818123.db2.gz ZOISQJDRNJTZIQ-UHFFFAOYSA-N 0 0 459.952 2.531 20 0 JFADRN COC(=O)[C@H](COC1CCC1)N(C)C(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1 ZINC001295019717 1062819331 /nfs/dbraw/zinc/81/93/31/1062819331.db2.gz KODPDFFPPZZVDP-YADHBBJMSA-N 0 0 454.523 2.823 20 0 JFADRN CC(C)CC1(Cn2c(C(C)C)nnc2N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC001287341655 1062819376 /nfs/dbraw/zinc/81/93/76/1062819376.db2.gz QYQHEHDSXLVAPJ-LJQANCHMSA-N 0 0 453.653 2.859 20 0 JFADRN CC(C)CC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](Oc3ccccn3)C2)CC1 ZINC001287342642 1062820060 /nfs/dbraw/zinc/82/00/60/1062820060.db2.gz XPNLDWFAUQUPKO-ROUUACIJSA-N 0 0 462.620 2.767 20 0 JFADRN CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)Nc1ccncc1I ZINC001295020222 1062820141 /nfs/dbraw/zinc/82/01/41/1062820141.db2.gz PXWAFJUDRJNXMH-MRXNPFEDSA-N 0 0 452.296 2.571 20 0 JFADRN CC(C)CC1(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001287342601 1062820221 /nfs/dbraw/zinc/82/02/21/1062820221.db2.gz MEOASKNOCCCHPO-LJQANCHMSA-N 0 0 453.653 2.764 20 0 JFADRN COC(=O)[C@H](COC(C)C)N(C)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1 ZINC001295020316 1062820503 /nfs/dbraw/zinc/82/05/03/1062820503.db2.gz RMWHAKNEZYQLPY-XWSJACJDSA-N 0 0 456.580 2.606 20 0 JFADRN COC(=O)[C@H](COC(C)C)N(C)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCO2)C1 ZINC001295020319 1062820560 /nfs/dbraw/zinc/82/05/60/1062820560.db2.gz RMWHAKNEZYQLPY-YRXWBPOGSA-N 0 0 456.580 2.606 20 0 JFADRN CC(C)Cc1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1CCNC(=O)c1cccs1 ZINC001287345700 1062820690 /nfs/dbraw/zinc/82/06/90/1062820690.db2.gz ASVXNEQTJXUMFZ-MRXNPFEDSA-N 0 0 490.655 2.813 20 0 JFADRN Cc1noc([C@H]2CCCN(c3nnc(-c4ccc(Cl)cc4F)n3CCS(C)(=O)=O)C2)n1 ZINC001290945201 1062820704 /nfs/dbraw/zinc/82/07/04/1062820704.db2.gz GEECDBYTDHESGW-ZDUSSCGKSA-N 0 0 468.942 2.858 20 0 JFADRN CCCS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C)cc3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001295020474 1062821066 /nfs/dbraw/zinc/82/10/66/1062821066.db2.gz CLLKMVLETNGHDG-FXAWDEMLSA-N 0 0 465.595 2.994 20 0 JFADRN CC(C)Cc1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1CC1(O)CCS(=O)(=O)CC1 ZINC001287345973 1062821107 /nfs/dbraw/zinc/82/11/07/1062821107.db2.gz DMWJDUXXVQQRGM-OAHLLOKOSA-N 0 0 456.559 2.892 20 0 JFADRN Cc1noc([C@H]2CCCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCSc3ccccc3)C2)n1 ZINC001290946124 1062821735 /nfs/dbraw/zinc/82/17/35/1062821735.db2.gz NLUIAZTVCLTPGA-WBVHZDCISA-N 0 0 491.643 2.756 20 0 JFADRN Cc1noc([C@@H]2CCCN(c3nnc(Cc4ccccn4)n3CCCCCS(C)(=O)=O)C2)n1 ZINC001290946172 1062822066 /nfs/dbraw/zinc/82/20/66/1062822066.db2.gz OOIJBWGNYJFPSU-GOSISDBHSA-N 0 0 473.603 2.554 20 0 JFADRN Cc1noc([C@H]2CCCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC(C)(C)C(C)C)C2)n1 ZINC001290946265 1062822090 /nfs/dbraw/zinc/82/20/90/1062822090.db2.gz QXVDVINSQRLFDI-DLBZAZTESA-N 0 0 450.609 2.938 20 0 JFADRN Cc1noc([C@H]2CCCN(c3nnc(Cc4c(F)cccc4F)n3CCC(=O)N(C)C)C2)n1 ZINC001290946208 1062822226 /nfs/dbraw/zinc/82/22/26/1062822226.db2.gz PHLUIIDIXRENIL-HNNXBMFYSA-N 0 0 459.501 2.701 20 0 JFADRN CCCS(=O)(=O)NC1CCN(c2nnc(Cc3ccsc3)n2CCc2cccnc2)CC1 ZINC001295020802 1062822199 /nfs/dbraw/zinc/82/21/99/1062822199.db2.gz FUTNSINYHGKLNA-UHFFFAOYSA-N 0 0 474.656 2.866 20 0 JFADRN CCCS(=O)(=O)NC1CCN(c2nnc(Cc3ccccc3F)n2CC2CCOCC2)CC1 ZINC001295020953 1062822810 /nfs/dbraw/zinc/82/28/10/1062822810.db2.gz HVJQHCDQIMJLPL-UHFFFAOYSA-N 0 0 479.622 2.733 20 0 JFADRN CC(C)Cc1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1CC[S@@](=O)C(C)(C)C ZINC001287348868 1062822835 /nfs/dbraw/zinc/82/28/35/1062822835.db2.gz YEIKFQZOJIPGHR-XHDOVSQSSA-N 0 0 469.677 2.869 20 0 JFADRN Cc1noc([C@H]2CCCN(c3nnc(CC(C)C)n3CCNS(=O)(=O)c3ccccc3)C2)n1 ZINC001290946964 1062823079 /nfs/dbraw/zinc/82/30/79/1062823079.db2.gz YQNBMNDNBMGHMB-SFHVURJKSA-N 0 0 473.603 2.531 20 0 JFADRN Cc1noc([C@@H]2CCCN(c3nnc(Cc4cccnc4)n3CCNC(=O)OC(C)(C)C)C2)n1 ZINC001290946857 1062823129 /nfs/dbraw/zinc/82/31/29/1062823129.db2.gz XMCFPMCSRYESGC-GOSISDBHSA-N 0 0 468.562 2.864 20 0 JFADRN Cc1noc(C2CCN(c3nnc(C(C)(C)C)n3CCNS(=O)(=O)c3ccccc3)CC2)n1 ZINC001290947853 1062823977 /nfs/dbraw/zinc/82/39/77/1062823977.db2.gz DGFUICFUZCRXTK-UHFFFAOYSA-N 0 0 473.603 2.630 20 0 JFADRN Cc1noc(C2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H](C)c3ccccc3)CC2)n1 ZINC001290948109 1062824052 /nfs/dbraw/zinc/82/40/52/1062824052.db2.gz DQOPDOGHERBOBR-CVEARBPZSA-N 0 0 473.603 2.767 20 0 JFADRN Cc1noc(CCCn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCNC(=O)C2)n1 ZINC001290948798 1062824590 /nfs/dbraw/zinc/82/45/90/1062824590.db2.gz CAAFNANLYKDNJL-HNNXBMFYSA-N 0 0 473.965 2.949 20 0 JFADRN CCCS(=O)(=O)NC1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(C)CCCO2)CC1 ZINC001295021828 1062824610 /nfs/dbraw/zinc/82/46/10/1062824610.db2.gz NMTMSNKTEHZLCL-QHCPKHFHSA-N 0 0 495.621 2.864 20 0 JFADRN CCCS(=O)(=O)NC1CCN(c2nnc(Cc3cccnc3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001295021917 1062824761 /nfs/dbraw/zinc/82/47/61/1062824761.db2.gz OJSLGFKRXSSENW-VQTJNVASSA-N 0 0 490.674 2.767 20 0 JFADRN NS(=O)(=O)c1ccc(NCC(=O)NCc2ccc(COCc3ccccc3)cc2)c(F)c1 ZINC001290948879 1062825067 /nfs/dbraw/zinc/82/50/67/1062825067.db2.gz HTNPOWGLHOJMSF-UHFFFAOYSA-N 0 0 457.527 2.918 20 0 JFADRN CCCS(=O)(=O)NC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C2CC2)CC1 ZINC001295022144 1062824996 /nfs/dbraw/zinc/82/49/96/1062824996.db2.gz BTBFNQRBRGRMPY-WOVMCDHWSA-N 0 0 482.651 2.682 20 0 JFADRN Cc1noc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2c2cccs2)n1 ZINC001290949635 1062826048 /nfs/dbraw/zinc/82/60/48/1062826048.db2.gz MCCSRLVXWFGDAP-ZFWWWQNUSA-N 0 0 465.605 2.616 20 0 JFADRN CC(C)Cc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001287355645 1062826320 /nfs/dbraw/zinc/82/63/20/1062826320.db2.gz IFCGIULXDGITSP-GHTZIAJQSA-N 0 0 455.669 2.788 20 0 JFADRN CC(C)Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001287355928 1062826536 /nfs/dbraw/zinc/82/65/36/1062826536.db2.gz JLHYFMRERDZUPP-IBGZPJMESA-N 0 0 462.620 2.678 20 0 JFADRN Cc1noc(CCCn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2cnn(C)c2)n1 ZINC001290949852 1062826422 /nfs/dbraw/zinc/82/64/22/1062826422.db2.gz OIJJIFLENKKZQG-UHFFFAOYSA-N 0 0 474.367 2.740 20 0 JFADRN CC(C)Cc1nnc(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)n1Cc1ccc(C(N)=O)nc1 ZINC001287356386 1062826783 /nfs/dbraw/zinc/82/67/83/1062826783.db2.gz LAKMUMGABSBIJC-SFHVURJKSA-N 0 0 463.586 2.675 20 0 JFADRN Cc1noc(CCCn2c(-c3ccc(Br)s3)nnc2N2CCN(C)C(=O)[C@H]2C)n1 ZINC001290952459 1062827343 /nfs/dbraw/zinc/82/73/43/1062827343.db2.gz KDEPGBZEUNWDEQ-LLVKDONJSA-N 0 0 480.392 2.760 20 0 JFADRN CC(C)Cc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001287358066 1062827466 /nfs/dbraw/zinc/82/74/66/1062827466.db2.gz ZFZDLFAUPMCKSC-ICSRJNTNSA-N 0 0 455.669 2.932 20 0 JFADRN Cc1noc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)C2CCCCC2)n1 ZINC001290950479 1062827422 /nfs/dbraw/zinc/82/74/22/1062827422.db2.gz WJPBBHBQDDYQLY-GJZGRUSLSA-N 0 0 453.613 2.618 20 0 JFADRN CC(C)Cc1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C ZINC001287357595 1062827648 /nfs/dbraw/zinc/82/76/48/1062827648.db2.gz WGHZLUHMGLCAIF-CEXWTWQISA-N 0 0 492.665 2.852 20 0 JFADRN Cc1noc(CCCn2c(-c3cccn3C)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)n1 ZINC001290952673 1062828311 /nfs/dbraw/zinc/82/83/11/1062828311.db2.gz QJLYPMMQJXBHPR-UHFFFAOYSA-N 0 0 480.495 2.503 20 0 JFADRN Cc1noc(CCCn2c(-c3ccccc3F)nnc2N(C)CCN2CCOC(C)(C)C2)n1 ZINC001290952719 1062828383 /nfs/dbraw/zinc/82/83/83/1062828383.db2.gz RPZJUPBRXLAKKA-UHFFFAOYSA-N 0 0 457.554 2.955 20 0 JFADRN CCCS(=O)(=O)NC1CCN(c2nnc(CC3CC3)n2Cc2nc(C)c(C)s2)CC1 ZINC001295023575 1062828529 /nfs/dbraw/zinc/82/85/29/1062828529.db2.gz YWDHBZIJPDCBSQ-UHFFFAOYSA-N 0 0 452.650 2.650 20 0 JFADRN CCCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccsc2)CC1 ZINC001295024303 1062829399 /nfs/dbraw/zinc/82/93/99/1062829399.db2.gz ZLCDLDUHZJLTMJ-GOSISDBHSA-N 0 0 453.634 2.732 20 0 JFADRN CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)NCc3ccnc(OCC(F)(F)F)c3)CCC2)C1 ZINC001290954946 1062829834 /nfs/dbraw/zinc/82/98/34/1062829834.db2.gz RKDDBGGTNPXVSR-UHFFFAOYSA-N 0 0 459.465 2.791 20 0 JFADRN CCC[C@@H]1C[C@H]1n1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001295026472 1062830381 /nfs/dbraw/zinc/83/03/81/1062830381.db2.gz VGSRFPVUSTYBCV-FTEYMNFISA-N 0 0 474.631 2.739 20 0 JFADRN C[C@H](CNC(=O)[C@@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C)N1CCN(c2ccccc2)CC1 ZINC001290955053 1062830768 /nfs/dbraw/zinc/83/07/68/1062830768.db2.gz SIUGHFUYBFYVII-UTKZUKDTSA-N 0 0 454.575 2.528 20 0 JFADRN CC(C)Cc1nnc(N(C)Cc2csc(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001287366611 1062830838 /nfs/dbraw/zinc/83/08/38/1062830838.db2.gz JFBDZKQMGIMEQN-ZDUSSCGKSA-N 0 0 469.409 2.925 20 0 JFADRN CCC[C@@H]1C[C@H]1n1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)NCC)CC1 ZINC001295026511 1062830925 /nfs/dbraw/zinc/83/09/25/1062830925.db2.gz VTXFLGIGMMHRGU-RHSMWYFYSA-N 0 0 464.412 2.655 20 0 JFADRN Cc1noc(CCCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCO[C@H](C)C2)n1 ZINC001290956618 1062832869 /nfs/dbraw/zinc/83/28/69/1062832869.db2.gz URRUIYCFHRJMOP-MRXNPFEDSA-N 0 0 475.594 2.942 20 0 JFADRN CCC[C@@H]1C[C@H]1n1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1csc(CC)n1 ZINC001295031310 1062832908 /nfs/dbraw/zinc/83/29/08/1062832908.db2.gz PCFRRMIPVDQHMM-OIISXLGYSA-N 0 0 468.649 2.627 20 0 JFADRN CC(C)Cc1nnc(N(C)CCN2CCOCC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001287374954 1062833032 /nfs/dbraw/zinc/83/30/32/1062833032.db2.gz QHURUIZOGMILDW-FQEVSTJZSA-N 0 0 464.655 2.892 20 0 JFADRN Cc1noc(CCCn2c([C@@H]3CCOC3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1 ZINC001290957114 1062833383 /nfs/dbraw/zinc/83/33/83/1062833383.db2.gz YIAOSDKXBLBHAZ-SJORKVTESA-N 0 0 461.567 2.552 20 0 JFADRN CCC[C@@H]1C[C@H]1n1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001295032283 1062833425 /nfs/dbraw/zinc/83/34/25/1062833425.db2.gz YGEGDSTZDYVKTP-BMFZPTHFSA-N 0 0 465.542 2.751 20 0 JFADRN CCC[C@@H]1C[C@H]1n1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1OC ZINC001295031464 1062833479 /nfs/dbraw/zinc/83/34/79/1062833479.db2.gz RPLWUEPVXRJVPZ-YVWKXTFCSA-N 0 0 463.604 2.617 20 0 JFADRN Cc1noc(CCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCCOCC2)n1 ZINC001290958099 1062833983 /nfs/dbraw/zinc/83/39/83/1062833983.db2.gz KHYMLHYWTFRXFZ-CALCHBBNSA-N 0 0 461.567 2.600 20 0 JFADRN CC(C)Cc1nnc(N(Cc2ccccc2)C[C@H]2CCCO2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001287379125 1062834204 /nfs/dbraw/zinc/83/42/04/1062834204.db2.gz WKUZGIAPVIPUAU-OAQYLSRUSA-N 0 0 476.643 2.602 20 0 JFADRN COCCNc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC001295035427 1062834655 /nfs/dbraw/zinc/83/46/55/1062834655.db2.gz AOWWSHZHCAPEKY-UHFFFAOYSA-N 0 0 450.467 2.865 20 0 JFADRN CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC001295035513 1062835253 /nfs/dbraw/zinc/83/52/53/1062835253.db2.gz CKGGTTCLJROHCU-WDEREUQCSA-N 0 0 451.515 2.807 20 0 JFADRN CC(C)Cc1nnc(N(CCO)Cc2cc(Br)ccc2F)n1C[C@]1(O)CCO[C@H]1C ZINC001287381605 1062835546 /nfs/dbraw/zinc/83/55/46/1062835546.db2.gz QLBLISGSZXVXTQ-YCRPNKLZSA-N 0 0 485.398 2.917 20 0 JFADRN Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(Cl)c(F)c2)on1 ZINC001290959178 1062835589 /nfs/dbraw/zinc/83/55/89/1062835589.db2.gz DYMXUPCBOFIOKU-GFCCVEGCSA-N 0 0 456.931 2.662 20 0 JFADRN COCCNc1ccc(S(C)(=O)=O)cc1NC(=O)c1cccc(S(=O)(=O)C(C)C)c1 ZINC001295036178 1062835632 /nfs/dbraw/zinc/83/56/32/1062835632.db2.gz MTXDPVPOLSLPMX-UHFFFAOYSA-N 0 0 454.570 2.583 20 0 JFADRN CC(C)Cc1nnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001287384918 1062836003 /nfs/dbraw/zinc/83/60/03/1062836003.db2.gz JQYUIRUMCJZKQA-PMACEKPBSA-N 0 0 464.655 2.938 20 0 JFADRN Cc1cc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CCc2cnccn2)on1 ZINC001290959336 1062836349 /nfs/dbraw/zinc/83/63/49/1062836349.db2.gz GBJNHAAZZXSISK-UHFFFAOYSA-N 0 0 466.933 2.675 20 0 JFADRN Cc1cc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)on1 ZINC001290959789 1062836865 /nfs/dbraw/zinc/83/68/65/1062836865.db2.gz IYGINEPJEKKMGX-MRXNPFEDSA-N 0 0 492.577 2.762 20 0 JFADRN Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)on1 ZINC001290960206 1062837196 /nfs/dbraw/zinc/83/71/96/1062837196.db2.gz VLZLKKDFAYPIEM-INIZCTEOSA-N 0 0 473.528 2.922 20 0 JFADRN O=C(CCNS(=O)(=O)c1cccc(Br)c1)N1CCc2ccc(F)c(F)c2C1 ZINC001295039853 1062837358 /nfs/dbraw/zinc/83/73/58/1062837358.db2.gz XMGNKIAUXQJTID-UHFFFAOYSA-N 0 0 459.312 2.981 20 0 JFADRN CCCNc1ccc(Cl)cc1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001295038482 1062837381 /nfs/dbraw/zinc/83/73/81/1062837381.db2.gz RTYFLVPJULBJGD-UHFFFAOYSA-N 0 0 452.964 2.781 20 0 JFADRN CCC[C@@H]1C[C@H]1n1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)COC)CC1 ZINC001295038529 1062837477 /nfs/dbraw/zinc/83/74/77/1062837477.db2.gz POBJRAGZLGPYOJ-AKHDSKFASA-N 0 0 476.622 2.705 20 0 JFADRN Cc1cccc(C(=O)NC2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)c1 ZINC001287386543 1062837898 /nfs/dbraw/zinc/83/78/98/1062837898.db2.gz YHUTUYUWRXYDBC-UHFFFAOYSA-N 0 0 455.580 2.814 20 0 JFADRN Cc1cc(Cn2c(-c3ccc(Br)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)on1 ZINC001290964234 1062838479 /nfs/dbraw/zinc/83/84/79/1062838479.db2.gz ABSMYUNDJYMCLF-UHFFFAOYSA-N 0 0 495.403 2.524 20 0 JFADRN CC(C)Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)C3(C2)CCS(=O)(=O)CC3)n1[C@@H]1C[C@H]1CF ZINC001287388504 1062838415 /nfs/dbraw/zinc/83/84/15/1062838415.db2.gz MBUDNWVUNSHTKD-KSZLIROESA-N 0 0 499.653 2.915 20 0 JFADRN CC(C)Cc1nnc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001287389279 1062838806 /nfs/dbraw/zinc/83/88/06/1062838806.db2.gz PLOOXIXWWYRPQA-NTKDMRAZSA-N 0 0 476.643 2.844 20 0 JFADRN CC(C)Cc1nnc(N2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@@H]3C2)n1CC1(C)CCC1 ZINC001287388940 1062838923 /nfs/dbraw/zinc/83/89/23/1062838923.db2.gz NRGQMXXIDPIBNV-KZNAEPCWSA-N 0 0 481.663 2.793 20 0 JFADRN Cc1cc(Cn2c(-c3ccccc3Br)nnc2N2CC[C@H](S(C)(=O)=O)C2)on1 ZINC001290964596 1062838921 /nfs/dbraw/zinc/83/89/21/1062838921.db2.gz HBFJUUKXEUASPV-AWEZNQCLSA-N 0 0 466.361 2.676 20 0 JFADRN CC(C)Cc1nnc(N2C[C@@H]3[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@@H]3C2)n1CC1(C)CCC1 ZINC001287388936 1062838972 /nfs/dbraw/zinc/83/89/72/1062838972.db2.gz NRGQMXXIDPIBNV-FGTMMUONSA-N 0 0 481.663 2.793 20 0 JFADRN CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)C1 ZINC001295041869 1062839555 /nfs/dbraw/zinc/83/95/55/1062839555.db2.gz QUCIKTVSLCDRIL-LEWJYISDSA-N 0 0 459.587 2.752 20 0 JFADRN CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(-c3ccc[nH]3)n2CCn2cncn2)CC1 ZINC001295042746 1062840639 /nfs/dbraw/zinc/84/06/39/1062840639.db2.gz JYBAHRRPGQYQOC-UHFFFAOYSA-N 0 0 455.567 2.791 20 0 JFADRN CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CCSC2)CC1 ZINC001295043078 1062841072 /nfs/dbraw/zinc/84/10/72/1062841072.db2.gz NYGGEJYZHBAUDO-GAJHUEQPSA-N 0 0 481.663 2.876 20 0 JFADRN CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(C3CCC3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001295043015 1062841149 /nfs/dbraw/zinc/84/11/49/1062841149.db2.gz MVSOCJDEUZBUPX-UHFFFAOYSA-N 0 0 484.667 2.663 20 0 JFADRN CC(C)Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001287396036 1062841209 /nfs/dbraw/zinc/84/12/09/1062841209.db2.gz LEYYDHUBQDPRSX-UHFFFAOYSA-N 0 0 467.680 2.917 20 0 JFADRN CC(C)Cc1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1CCS(=O)(=O)Cc1ccccc1 ZINC001287396372 1062841232 /nfs/dbraw/zinc/84/12/32/1062841232.db2.gz PPEIFEPYVZEYJK-UHFFFAOYSA-N 0 0 487.670 2.930 20 0 JFADRN CC(C)Cc1nnc(N2CCC(C(=O)c3cccs3)CC2)n1CCS(=O)(=O)N(C)C ZINC001287396378 1062841255 /nfs/dbraw/zinc/84/12/55/1062841255.db2.gz PSIGXJQXXLSZIS-UHFFFAOYSA-N 0 0 453.634 2.529 20 0 JFADRN CC(C)Cc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001287397542 1062841633 /nfs/dbraw/zinc/84/16/33/1062841633.db2.gz AZYNIVZYNUTJMO-HXUWFJFHSA-N 0 0 454.497 2.549 20 0 JFADRN CC(C)Cc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001287397744 1062842168 /nfs/dbraw/zinc/84/21/68/1062842168.db2.gz COIUXYYXSLEVJB-SFHVURJKSA-N 0 0 466.570 2.831 20 0 JFADRN CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(-c3cnccn3)n2CC[S@@](=O)CC)CC1 ZINC001295044410 1062842548 /nfs/dbraw/zinc/84/25/48/1062842548.db2.gz ZEXDFBGTTTUIPJ-XIFFEERXSA-N 0 0 477.635 2.730 20 0 JFADRN Cc1cc(CN2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCCCC3(F)F)CC2)on1 ZINC001290969745 1062843175 /nfs/dbraw/zinc/84/31/75/1062843175.db2.gz BSZMRBBIBUFOSL-KRWDZBQOSA-N 0 0 465.549 2.860 20 0 JFADRN CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(C(C)=O)CC1 ZINC001295044788 1062843267 /nfs/dbraw/zinc/84/32/67/1062843267.db2.gz BXOHTVVMNRBVJJ-QUCCMNQESA-N 0 0 478.638 2.876 20 0 JFADRN Cc1cc(CN2CCN(c3nnc(CC(C)C)n3CC(=O)Nc3ccc(F)cc3)CC2)on1 ZINC001290970016 1062843558 /nfs/dbraw/zinc/84/35/58/1062843558.db2.gz NOKUHZQRLLGCTR-UHFFFAOYSA-N 0 0 455.538 2.873 20 0 JFADRN CC(C)Cc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCS(=O)(=O)CC1CC1 ZINC001287398662 1062843737 /nfs/dbraw/zinc/84/37/37/1062843737.db2.gz UPKBKONIJAKDTQ-IBGZPJMESA-N 0 0 466.570 2.831 20 0 JFADRN CC(C)Cc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1C[C@@](C)(O)c1cccs1 ZINC001287398785 1062843834 /nfs/dbraw/zinc/84/38/34/1062843834.db2.gz WSBQUWMCASBTOL-AUUYWEPGSA-N 0 0 459.538 2.951 20 0 JFADRN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001295045096 1062844373 /nfs/dbraw/zinc/84/43/73/1062844373.db2.gz XTIULWSKBRTERR-IUODEOHRSA-N 0 0 457.478 2.687 20 0 JFADRN Cc1cc(CN2CCN(c3nnc(C(C)(C)C)n3CC[C@@H](N3CCOCC3)C(F)(F)F)CC2)on1 ZINC001290970444 1062844897 /nfs/dbraw/zinc/84/48/97/1062844897.db2.gz ROZFHYZAZPRPTM-LJQANCHMSA-N 0 0 499.582 2.847 20 0 JFADRN CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 ZINC001295045334 1062844802 /nfs/dbraw/zinc/84/48/02/1062844802.db2.gz LHCRQVCKZOSJKQ-GGPKGHCWSA-N 0 0 483.617 2.624 20 0 JFADRN Cn1c(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)ccc1-c1ccc(Br)cc1 ZINC001295045228 1062844839 /nfs/dbraw/zinc/84/48/39/1062844839.db2.gz YQVYEOBFVBMDPA-ZBFHGGJFSA-N 0 0 454.390 2.902 20 0 JFADRN CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(CC(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001295045340 1062845341 /nfs/dbraw/zinc/84/53/41/1062845341.db2.gz LJHGPYYWWPEXGD-MSOLQXFVSA-N 0 0 463.627 2.678 20 0 JFADRN CC(C)Cc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1Cc1nnc2n1CCC2 ZINC001287402939 1062845435 /nfs/dbraw/zinc/84/54/35/1062845435.db2.gz HRUHCSPVXZMFFU-UHFFFAOYSA-N 0 0 458.611 2.946 20 0 JFADRN CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1 ZINC001295045410 1062845765 /nfs/dbraw/zinc/84/57/65/1062845765.db2.gz NBWWSTWCGMJPQA-MISYRCLQSA-N 0 0 483.617 2.624 20 0 JFADRN CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(COC)CC1 ZINC001295045383 1062845802 /nfs/dbraw/zinc/84/58/02/1062845802.db2.gz MIWOQAYTXHNAIV-MJGOQNOKSA-N 0 0 499.678 2.689 20 0 JFADRN CC(C)Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CCOc1ccc(F)c(F)c1 ZINC001287403254 1062846146 /nfs/dbraw/zinc/84/61/46/1062846146.db2.gz LGPTUVZQBZMZMO-QHCPKHFHSA-N 0 0 476.528 2.648 20 0 JFADRN Cc1cc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)on1 ZINC001290970871 1062846952 /nfs/dbraw/zinc/84/69/52/1062846952.db2.gz LGCZSBZHKNBKDS-CYGHRXIMSA-N 0 0 453.609 2.799 20 0 JFADRN CC(C)Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001287404166 1062847362 /nfs/dbraw/zinc/84/73/62/1062847362.db2.gz WEOQCHWMHDWBQP-YQOVMPOYSA-N 0 0 460.623 2.742 20 0 JFADRN CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC001295045637 1062847325 /nfs/dbraw/zinc/84/73/25/1062847325.db2.gz TZEUZGKVOYLVAL-YSTOQKLRSA-N 0 0 479.622 2.812 20 0 JFADRN 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CCn1cc(CN(C)c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2ccccn2)cn1 ZINC001295905250 1063961164 /nfs/dbraw/zinc/96/11/64/1063961164.db2.gz HBCUKGLCBMXGDH-UHFFFAOYSA-N 0 0 494.625 2.686 20 0 JFADRN CCn1cc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2CC2(O)CCS(=O)(=O)CC2)cn1 ZINC001295906759 1063961752 /nfs/dbraw/zinc/96/17/52/1063961752.db2.gz WRTFDMUKUKIQII-UHFFFAOYSA-N 0 0 496.996 2.530 20 0 JFADRN CCn1cc(CN(C)c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cc(C)nn2C)cn1 ZINC001295909533 1063962943 /nfs/dbraw/zinc/96/29/43/1063962943.db2.gz SAOCDRBASFNADQ-UHFFFAOYSA-N 0 0 450.547 2.905 20 0 JFADRN CCn1cc(CN(C)c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCS(=O)(=O)C2)cn1 ZINC001295909500 1063962966 /nfs/dbraw/zinc/96/29/66/1063962966.db2.gz RDFJJKHDYJVWGT-KRWDZBQOSA-N 0 0 488.614 2.640 20 0 JFADRN CCn1cc(CN(C)c2nnc(-c3cccnc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1 ZINC001295910311 1063963806 /nfs/dbraw/zinc/96/38/06/1063963806.db2.gz LZLNSNYMAKAYNL-HXUWFJFHSA-N 0 0 462.533 2.676 20 0 JFADRN 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CC[C@H](C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001291403350 1063968540 /nfs/dbraw/zinc/96/85/40/1063968540.db2.gz JVBRZDZJALOAAA-IQOKHDRSSA-N 0 0 459.566 2.915 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001291403452 1063968943 /nfs/dbraw/zinc/96/89/43/1063968943.db2.gz KWRFSZBHDKXIJK-XXNSQIBZSA-N 0 0 471.602 2.910 20 0 JFADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)c1 ZINC001295916175 1063969012 /nfs/dbraw/zinc/96/90/12/1063969012.db2.gz VYSSEERKMAWIEV-FQEVSTJZSA-N 0 0 459.568 2.566 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cc2ccccc2)C1 ZINC001291403592 1063969505 /nfs/dbraw/zinc/96/95/05/1063969505.db2.gz NBKACNBNRMHLPD-QYXIYQDXSA-N 0 0 455.603 2.646 20 0 JFADRN CCn1cc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)cn1 ZINC001295917259 1063970322 /nfs/dbraw/zinc/97/03/22/1063970322.db2.gz FJFBYMOIVVHKJK-UHFFFAOYSA-N 0 0 480.960 2.906 20 0 JFADRN 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CCn1cc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@@H](COC)C2)cn1 ZINC001295919181 1063973930 /nfs/dbraw/zinc/97/39/30/1063973930.db2.gz ASTWYEDKDPBIFZ-QGZVFWFLSA-N 0 0 457.966 2.599 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(N2C[C@H](C)O[C@]3(CCCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001291405498 1063974260 /nfs/dbraw/zinc/97/42/60/1063974260.db2.gz LHNZMZLBROKTPR-MQXBQSNKSA-N 0 0 480.650 2.890 20 0 JFADRN CCn1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)cn1 ZINC001295920045 1063974649 /nfs/dbraw/zinc/97/46/49/1063974649.db2.gz NMFWFUOZLQELTK-OAQYLSRUSA-N 0 0 492.506 2.720 20 0 JFADRN CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001291405571 1063974707 /nfs/dbraw/zinc/97/47/07/1063974707.db2.gz MICTUQVYIJWDJD-IXFSTUDKSA-N 0 0 480.631 2.676 20 0 JFADRN CC[C@H](C)[C@](C)(O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001291405572 1063974737 /nfs/dbraw/zinc/97/47/37/1063974737.db2.gz MICTUQVYIJWDJD-YZZKKUAISA-N 0 0 480.631 2.676 20 0 JFADRN 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CCC(O)(CC)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001292276597 1065053421 /nfs/dbraw/zinc/05/34/21/1065053421.db2.gz SPBBWNCBTBNKJR-GOSISDBHSA-N 0 0 457.575 2.966 20 0 JFADRN CCC(O)(CC)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC001292277485 1065054046 /nfs/dbraw/zinc/05/40/46/1065054046.db2.gz VAPVFJCFECEZMA-UNMCSNQZSA-N 0 0 483.661 2.708 20 0 JFADRN CCC(O)(CC)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001292277468 1065054101 /nfs/dbraw/zinc/05/41/01/1065054101.db2.gz UJEZYHQGKTUZNV-UHFFFAOYSA-N 0 0 474.631 2.506 20 0 JFADRN CCC(O)(CC)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC001292279751 1065054828 /nfs/dbraw/zinc/05/48/28/1065054828.db2.gz FUPREYCRILBBEH-UHFFFAOYSA-N 0 0 477.613 2.960 20 0 JFADRN CCC(O)(CC)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccc(C)c1 ZINC001292283638 1065057239 /nfs/dbraw/zinc/05/72/39/1065057239.db2.gz FTZMYTAPUXXTBY-SFTDATJTSA-N 0 0 491.658 2.812 20 0 JFADRN CCC(O)(CC)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001292283826 1065057319 /nfs/dbraw/zinc/05/73/19/1065057319.db2.gz GXKQHAJFCZXVBB-QHCPKHFHSA-N 0 0 489.020 2.888 20 0 JFADRN CCC(O)(CC)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 ZINC001292283901 1065057620 /nfs/dbraw/zinc/05/76/20/1065057620.db2.gz IPCVBFBOIWZZRB-LEWJYISDSA-N 0 0 476.643 2.917 20 0 JFADRN CCC(O)(CC)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001292284219 1065057914 /nfs/dbraw/zinc/05/79/14/1065057914.db2.gz MGTIEZIXFQWTCQ-CTNGQTDRSA-N 0 0 476.666 2.640 20 0 JFADRN CCC(O)(CC)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001292284518 1065058578 /nfs/dbraw/zinc/05/85/78/1065058578.db2.gz NXEWLMQNMAELIL-HXUWFJFHSA-N 0 0 473.593 2.754 20 0 JFADRN CCC(O)(CC)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001292284536 1065058590 /nfs/dbraw/zinc/05/85/90/1065058590.db2.gz OJNXBVPDXVOADD-UUOWRZLLSA-N 0 0 490.649 2.660 20 0 JFADRN CCC(O)(CC)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001292284822 1065058836 /nfs/dbraw/zinc/05/88/36/1065058836.db2.gz WDUIGMDKAFWVRP-UXHICEINSA-N 0 0 462.616 2.699 20 0 JFADRN CCC(O)(CC)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](CC2CC2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001292285326 1065059591 /nfs/dbraw/zinc/05/95/91/1065059591.db2.gz UCCXNYYNZYIVOD-CEXWTWQISA-N 0 0 490.649 2.910 20 0 JFADRN CCC(O)(CC)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001292289238 1065061163 /nfs/dbraw/zinc/06/11/63/1065061163.db2.gz KUSJYMHZHJDLCC-RBBKRZOGSA-N 0 0 457.619 2.608 20 0 JFADRN CCC(O)(CC)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 ZINC001292291309 1065062323 /nfs/dbraw/zinc/06/23/23/1065062323.db2.gz YCWZQCKKHJOSKK-LJQANCHMSA-N 0 0 457.623 2.960 20 0 JFADRN CCC(O)(CC)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001292291799 1065062709 /nfs/dbraw/zinc/06/27/09/1065062709.db2.gz GPESUJKXYQSSEH-IBGZPJMESA-N 0 0 456.591 2.757 20 0 JFADRN CCC(O)(CC)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC001292291906 1065063128 /nfs/dbraw/zinc/06/31/28/1065063128.db2.gz JNWLZSKLNKOWJX-NRFANRHFSA-N 0 0 469.638 2.816 20 0 JFADRN CCC(O)(CC)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001292292036 1065063424 /nfs/dbraw/zinc/06/34/24/1065063424.db2.gz NPAZEYADOCOTBP-UHFFFAOYSA-N 0 0 488.580 2.895 20 0 JFADRN CCC(O)(CC)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC001292292215 1065063832 /nfs/dbraw/zinc/06/38/32/1065063832.db2.gz SZTZRDZMLQJZAW-FQEVSTJZSA-N 0 0 482.629 2.598 20 0 JFADRN CCC(O)(CC)Cn1c(COc2ccccc2F)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001292292802 1065064759 /nfs/dbraw/zinc/06/47/59/1065064759.db2.gz BWYRWVUETCJLCQ-UHFFFAOYSA-N 0 0 469.565 2.972 20 0 JFADRN CCC(O)(CC)Cn1c(COc2ccccc2OC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001292294082 1065065940 /nfs/dbraw/zinc/06/59/40/1065065940.db2.gz RDEKTJNRVVNTBC-GOSISDBHSA-N 0 0 480.631 2.820 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](COC(C)C)C2)O1 ZINC001292294965 1065066588 /nfs/dbraw/zinc/06/65/88/1065066588.db2.gz DMXUOZHGRDYVSI-AXHZCLLHSA-N 0 0 472.590 2.903 20 0 JFADRN CC[C@@]1(C)CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCNC(=O)CC2)O1 ZINC001292295550 1065067283 /nfs/dbraw/zinc/06/72/83/1065067283.db2.gz HJSDQSJNBQKYJH-DVECYGJZSA-N 0 0 454.575 2.821 20 0 JFADRN CC[C@@]1(C)CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)O1 ZINC001292296349 1065067919 /nfs/dbraw/zinc/06/79/19/1065067919.db2.gz KNSSHQOBDKTAOJ-QQMNAOGKSA-N 0 0 464.611 2.867 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)O1 ZINC001292296761 1065068247 /nfs/dbraw/zinc/06/82/47/1065068247.db2.gz OAHVEFTYUZUPGE-HKARXFIJSA-N 0 0 471.562 2.550 20 0 JFADRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CCNS(C)(=O)=O)O1 ZINC001292298152 1065068768 /nfs/dbraw/zinc/06/87/68/1065068768.db2.gz DMSMPIWRKLGRTQ-PXNSSMCTSA-N 0 0 456.012 2.932 20 0 JFADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CCNS(C)(=O)=O)O1 ZINC001292298154 1065068779 /nfs/dbraw/zinc/06/87/79/1065068779.db2.gz DMSMPIWRKLGRTQ-XLIONFOSSA-N 0 0 456.012 2.932 20 0 JFADRN CC[C@@]1(C)CC[C@H](Cn2c(-c3sc(N4CCOCC4)nc3C)nnc2N(C)CCOC)O1 ZINC001292298751 1065069454 /nfs/dbraw/zinc/06/94/54/1065069454.db2.gz GSSYODQZEUIPNX-VGSWGCGISA-N 0 0 464.636 2.977 20 0 JFADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](OCC3CC3)C2)O1 ZINC001292299229 1065069837 /nfs/dbraw/zinc/06/98/37/1065069837.db2.gz IEEOFNBOIAKIDD-ITBLURSFSA-N 0 0 469.652 2.631 20 0 JFADRN Cc1nc(C(=O)Nc2ccc(N3CCSCC3)cc2C)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC001292299744 1065070501 /nfs/dbraw/zinc/07/05/01/1065070501.db2.gz XLTCMUJHCSXORH-UHFFFAOYSA-N 0 0 452.466 2.827 20 0 JFADRN CC[C@]1(C)CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](c3cccc(F)c3)C2)O1 ZINC001292299884 1065070854 /nfs/dbraw/zinc/07/08/54/1065070854.db2.gz KHHNXPRPQPPPTJ-YLTWVVNKSA-N 0 0 495.621 2.953 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(OC)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)O1 ZINC001292300193 1065070865 /nfs/dbraw/zinc/07/08/65/1065070865.db2.gz MDPNZPDBPYHVJP-AWRGLXIESA-N 0 0 457.575 2.643 20 0 JFADRN CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)C2CC(OCc3ccccc3)C2)C1 ZINC001292302717 1065073098 /nfs/dbraw/zinc/07/30/98/1065073098.db2.gz ASGICHMARFPPTL-MWXLCCTBSA-N 0 0 459.587 2.861 20 0 JFADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)O1 ZINC001292302921 1065073837 /nfs/dbraw/zinc/07/38/37/1065073837.db2.gz JFGZJLMOJLIDIP-UMEGOILYSA-N 0 0 487.601 2.651 20 0 JFADRN CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)c2scnc2C(F)(F)F)C1 ZINC001292302964 1065073845 /nfs/dbraw/zinc/07/38/45/1065073845.db2.gz BYEIYAYHDMVGIV-LLVKDONJSA-N 0 0 450.483 2.655 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)CC(=O)NC(C)(C)C)O1 ZINC001292303566 1065074515 /nfs/dbraw/zinc/07/45/15/1065074515.db2.gz KWHRJDVTVWTZOM-YADARESESA-N 0 0 481.605 2.619 20 0 JFADRN Cc1nnc(-c2ccc(C(=O)N3CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C3)cc2)o1 ZINC001292305409 1065075694 /nfs/dbraw/zinc/07/56/94/1065075694.db2.gz WUSRBJGESIUTAM-SFHVURJKSA-N 0 0 457.531 2.538 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)O1 ZINC001292311769 1065079295 /nfs/dbraw/zinc/07/92/95/1065079295.db2.gz BWGIDQOQEBCJSE-HKARXFIJSA-N 0 0 490.630 2.894 20 0 JFADRN CC[C@@]1(C)CC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCN(CCOC)C(=O)C2)O1 ZINC001292312289 1065079490 /nfs/dbraw/zinc/07/94/90/1065079490.db2.gz FSYZSPYNSGQHNO-BWKNWUBXSA-N 0 0 471.602 2.808 20 0 JFADRN CC[C@@]1(C)CC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)O1 ZINC001292312497 1065080181 /nfs/dbraw/zinc/08/01/81/1065080181.db2.gz GZRFEUONHZLWEI-UGKGYDQZSA-N 0 0 498.049 2.940 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(N3CCN(c4ncccc4C(N)=O)CC3)nnc2C(C)(C)C)O1 ZINC001292313131 1065080489 /nfs/dbraw/zinc/08/04/89/1065080489.db2.gz LXQMTWBRMCFLPU-BXKMTCNYSA-N 0 0 455.607 2.744 20 0 JFADRN CC[C@]1(C)CC[C@H](Cn2c(COc3ccccc3F)nnc2N2CCN(CC(=O)N(C)C)CC2)O1 ZINC001292313385 1065080684 /nfs/dbraw/zinc/08/06/84/1065080684.db2.gz NMFGAGXUAKFPHA-KBMIEXCESA-N 0 0 488.608 2.554 20 0 JFADRN CC[C@]1(C)CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@@H](CNC(C)=O)C2)O1 ZINC001292313382 1065080718 /nfs/dbraw/zinc/08/07/18/1065080718.db2.gz NKMAOUDKWPGPHL-NABGWTBKSA-N 0 0 463.623 2.702 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3ccccc3F)nnc2N2CCN(CC(=O)N(C)C)CC2)O1 ZINC001292313386 1065080788 /nfs/dbraw/zinc/08/07/88/1065080788.db2.gz NMFGAGXUAKFPHA-UQBPGWFLSA-N 0 0 488.608 2.554 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(N3CCC(C(=O)NC)CC3)nnc2[C@]2(OC(C)C)CCOC2)O1 ZINC001292313555 1065081003 /nfs/dbraw/zinc/08/10/03/1065081003.db2.gz PECJXUOYPMTXOE-IEXUWNMDSA-N 0 0 463.623 2.629 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@H](NC(C)=O)C2)O1 ZINC001292314519 1065081639 /nfs/dbraw/zinc/08/16/39/1065081639.db2.gz TVCRDZFPKZMRIL-IEGUWTFLSA-N 0 0 474.631 2.722 20 0 JFADRN CC[C@]1(C)CC[C@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCO[C@H](C(=O)NC)C2)O1 ZINC001292315243 1065082221 /nfs/dbraw/zinc/08/22/21/1065082221.db2.gz XUHCGWLDLIRKTK-FZOAFFARSA-N 0 0 471.602 2.773 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCO[C@H](C(=O)NC)C2)O1 ZINC001292315245 1065082371 /nfs/dbraw/zinc/08/23/71/1065082371.db2.gz XUHCGWLDLIRKTK-QYXIYQDXSA-N 0 0 471.602 2.773 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCN(C(=O)C(C)C)CC2)O1 ZINC001292315250 1065082799 /nfs/dbraw/zinc/08/27/99/1065082799.db2.gz XVLRATDLMYUHKL-GBXCKJPGSA-N 0 0 457.623 2.792 20 0 JFADRN CC[C@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](O)(c2ccccc2)C(F)(F)F)C1 ZINC001292316177 1065083048 /nfs/dbraw/zinc/08/30/48/1065083048.db2.gz FFWLHIKSLJMWQI-YSGRDPCXSA-N 0 0 489.564 2.965 20 0 JFADRN CC[C@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)nc2)C1 ZINC001292319721 1065084013 /nfs/dbraw/zinc/08/40/13/1065084013.db2.gz SQGNITRMHFAMQW-VGOFRKELSA-N 0 0 461.636 2.558 20 0 JFADRN CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(c4cc(C(F)F)ncn4)CC[C@H]32)CC1 ZINC001307142683 1065084696 /nfs/dbraw/zinc/08/46/96/1065084696.db2.gz SMBBJDAVWNIVQQ-HZPDHXFCSA-N 0 0 452.506 2.786 20 0 JFADRN CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC001292321948 1065085006 /nfs/dbraw/zinc/08/50/06/1065085006.db2.gz RBHIBWDKZDHOHV-REWPJTCUSA-N 0 0 458.580 2.788 20 0 JFADRN CC[C@]1(C)CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCc2ccco2)C1 ZINC001292324184 1065085403 /nfs/dbraw/zinc/08/54/03/1065085403.db2.gz VGSZLNXCMJVPTC-HSZRJFAPSA-N 0 0 471.583 2.884 20 0 JFADRN CC[C@@]1(C)CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCc2ccco2)C1 ZINC001292324193 1065085555 /nfs/dbraw/zinc/08/55/55/1065085555.db2.gz VGSZLNXCMJVPTC-QHCPKHFHSA-N 0 0 471.583 2.884 20 0 JFADRN CC[C@]1(C)CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCNS(C)(=O)=O)C1 ZINC001292324541 1065085671 /nfs/dbraw/zinc/08/56/71/1065085671.db2.gz YBVPGZIXJKDAOD-LJQANCHMSA-N 0 0 486.436 2.892 20 0 JFADRN CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001292329194 1065086817 /nfs/dbraw/zinc/08/68/17/1065086817.db2.gz VTORHCNNMAMTDI-QFIPXVFZSA-N 0 0 478.615 2.528 20 0 JFADRN CC[C@@]1(C)CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCNS(C)(=O)=O)C1 ZINC001292330646 1065087446 /nfs/dbraw/zinc/08/74/46/1065087446.db2.gz JWKGJGNZVOZENT-QHCPKHFHSA-N 0 0 498.694 2.958 20 0 JFADRN CC[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2nc(C)cs2)C1 ZINC001292330792 1065087578 /nfs/dbraw/zinc/08/75/78/1065087578.db2.gz LEBDOWLYOQYQHE-HZUJVAHNSA-N 0 0 482.676 2.806 20 0 JFADRN CC[C@@]1(C)CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCNC(=O)C(C)(C)C)C1 ZINC001292333851 1065089583 /nfs/dbraw/zinc/08/95/83/1065089583.db2.gz QEJOPHJLJXZHBG-VWLOTQADSA-N 0 0 465.602 2.981 20 0 JFADRN CC[C@@]1(C)CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](COC)OC)CCO1 ZINC001292343456 1065091963 /nfs/dbraw/zinc/09/19/63/1065091963.db2.gz KOESZFXYDSRBSY-GCJKJVERSA-N 0 0 465.982 2.528 20 0 JFADRN O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NCCCOc1ccc(Cl)cc1Cl ZINC001292343612 1065092175 /nfs/dbraw/zinc/09/21/75/1065092175.db2.gz AXTRBKYNSCVMKT-LJQANCHMSA-N 0 0 458.386 2.592 20 0 JFADRN CC[C@]1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)Oc2ccccc2C)CCO1 ZINC001292344432 1065092461 /nfs/dbraw/zinc/09/24/61/1065092461.db2.gz BGAFITHJUSDDKV-NPPFBWRTSA-N 0 0 465.620 2.670 20 0 JFADRN CC[C@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2CCNS(C)(=O)=O)C1 ZINC001292344726 1065092596 /nfs/dbraw/zinc/09/25/96/1065092596.db2.gz SROKMHHQHRFDQG-HXUWFJFHSA-N 0 0 453.634 2.755 20 0 JFADRN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 ZINC001292345244 1065093224 /nfs/dbraw/zinc/09/32/24/1065093224.db2.gz DHNWXPVQCNTNJH-IEXUWNMDSA-N 0 0 492.642 2.590 20 0 JFADRN CC[C@@]1(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNC(=O)C(C)(C)C)CCO1 ZINC001292352993 1065097560 /nfs/dbraw/zinc/09/75/60/1065097560.db2.gz JAOLNBRAZNXFDO-QHCPKHFHSA-N 0 0 477.631 2.516 20 0 JFADRN CC[C@]1(C)CN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCNS(C)(=O)=O)CCO1 ZINC001292354610 1065098819 /nfs/dbraw/zinc/09/88/19/1065098819.db2.gz VJEVODNZIGFJEH-HSZRJFAPSA-N 0 0 489.598 2.672 20 0 JFADRN 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CCC[C@](C)(O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001293814353 1066322141 /nfs/dbraw/zinc/32/21/41/1066322141.db2.gz UHCCXXUCJMSCMR-DEOSSOPVSA-N 0 0 450.543 2.559 20 0 JFADRN CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001293817132 1066324097 /nfs/dbraw/zinc/32/40/97/1066324097.db2.gz GENKGZROGKQBPS-QRWLVFNGSA-N 0 0 454.497 2.704 20 0 JFADRN CCC[C@](C)(O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001293819913 1066326948 /nfs/dbraw/zinc/32/69/48/1066326948.db2.gz DBSZJVGVIUYJOR-XFAGBWLFSA-N 0 0 478.638 2.611 20 0 JFADRN CCC[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 ZINC001293819910 1066327017 /nfs/dbraw/zinc/32/70/17/1066327017.db2.gz NFWVGZGBVJHIOJ-JOCHJYFZSA-N 0 0 455.588 2.700 20 0 JFADRN CCC[C@](C)(O)Cn1c(-c2cnccn2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC001293820526 1066327960 /nfs/dbraw/zinc/32/79/60/1066327960.db2.gz PJEXZULHVLZHEF-KOSHJBKYSA-N 0 0 451.575 2.942 20 0 JFADRN CCC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC001293822553 1066330420 /nfs/dbraw/zinc/33/04/20/1066330420.db2.gz XMZAVALEHNPYHX-BKMJKUGQSA-N 0 0 477.613 2.548 20 0 JFADRN CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC001293822554 1066330494 /nfs/dbraw/zinc/33/04/94/1066330494.db2.gz XMZAVALEHNPYHX-GJZUVCINSA-N 0 0 477.613 2.548 20 0 JFADRN CCC[C@](C)(O)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC001293823015 1066331398 /nfs/dbraw/zinc/33/13/98/1066331398.db2.gz LZRSKHUKHYDOBL-BKSPAHHJSA-N 0 0 462.683 2.845 20 0 JFADRN CCC[C@](C)(O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001293824385 1066333034 /nfs/dbraw/zinc/33/30/34/1066333034.db2.gz WFOVLTWWFKCKEW-IXFSTUDKSA-N 0 0 465.595 2.505 20 0 JFADRN O=C(NCCCOC[C@H]1CCOC1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001293830631 1066334782 /nfs/dbraw/zinc/33/47/82/1066334782.db2.gz IWCQASUTPVGYTG-OAHLLOKOSA-N 0 0 454.495 2.939 20 0 JFADRN CCC[C@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001293833183 1066336707 /nfs/dbraw/zinc/33/67/07/1066336707.db2.gz CSUTVJHDPKTYBG-MBSDFSHPSA-N 0 0 458.538 2.649 20 0 JFADRN CCC[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](COc2ccccc2)C1 ZINC001293833339 1066336999 /nfs/dbraw/zinc/33/69/99/1066336999.db2.gz COJMHBXUFPMCSP-RCZVLFRGSA-N 0 0 468.602 2.975 20 0 JFADRN CCC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001293834822 1066338986 /nfs/dbraw/zinc/33/89/86/1066338986.db2.gz JOPKFIVGFYGATJ-CVDCTZTESA-N 0 0 463.529 2.808 20 0 JFADRN CCC[C@@](C)(O)Cn1c(CC2CC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 ZINC001293834277 1066339128 /nfs/dbraw/zinc/33/91/28/1066339128.db2.gz HMWNOFRIOVHSKD-RUZDIDTESA-N 0 0 460.667 2.552 20 0 JFADRN CCC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001293834824 1066339492 /nfs/dbraw/zinc/33/94/92/1066339492.db2.gz JOPKFIVGFYGATJ-WMZHIEFXSA-N 0 0 463.529 2.808 20 0 JFADRN CCC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC001293835850 1066340215 /nfs/dbraw/zinc/34/02/15/1066340215.db2.gz NUSCCGCPAPLTST-HHHXNRCGSA-N 0 0 496.656 2.793 20 0 JFADRN CCC[C@@](C)(O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001293836277 1066340633 /nfs/dbraw/zinc/34/06/33/1066340633.db2.gz OIPPQVLUYLALHS-GBXCKJPGSA-N 0 0 491.658 2.721 20 0 JFADRN CCC[C@](C)(O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001293836902 1066341405 /nfs/dbraw/zinc/34/14/05/1066341405.db2.gz QXXKDRAWTIVMJL-PUZWTLIVSA-N 0 0 460.575 2.801 20 0 JFADRN CCC[C@@](C)(O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001293836973 1066341723 /nfs/dbraw/zinc/34/17/23/1066341723.db2.gz RRWLWFOBNLOQCR-DNQXCXABSA-N 0 0 476.643 2.986 20 0 JFADRN CCC[C@@](C)(O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001293836975 1066341735 /nfs/dbraw/zinc/34/17/35/1066341735.db2.gz RRWLWFOBNLOQCR-RPWUZVMVSA-N 0 0 476.643 2.986 20 0 JFADRN CCC[C@@](C)(O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001293837564 1066342535 /nfs/dbraw/zinc/34/25/35/1066342535.db2.gz UKXMAOAEUADCLO-FTJBHMTQSA-N 0 0 498.628 2.840 20 0 JFADRN CCC[C@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001293837606 1066342890 /nfs/dbraw/zinc/34/28/90/1066342890.db2.gz VHOQOLXWZGWOKC-VWLOTQADSA-N 0 0 454.619 2.999 20 0 JFADRN CCC[C@@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 ZINC001293844177 1066346474 /nfs/dbraw/zinc/34/64/74/1066346474.db2.gz QTWWRNNSNDEWCF-MHECFPHRSA-N 0 0 478.638 2.993 20 0 JFADRN CCC[C@@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCS(C)(=O)=O ZINC001293844217 1066346673 /nfs/dbraw/zinc/34/66/73/1066346673.db2.gz RJSFUCVNERGXKM-HTAPYJJXSA-N 0 0 487.667 2.772 20 0 JFADRN CCC[C@@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NC)CC1 ZINC001293844361 1066347045 /nfs/dbraw/zinc/34/70/45/1066347045.db2.gz TYJPIOWSKUWJNG-MHECFPHRSA-N 0 0 478.638 2.864 20 0 JFADRN CCC[C@@](C)(O)Cn1c(N2CCN(c3ccc(F)c(OC)c3)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001293844454 1066347208 /nfs/dbraw/zinc/34/72/08/1066347208.db2.gz VITHMNZVXQXRIX-RPBOFIJWSA-N 0 0 491.608 2.956 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C)=C(Br)C1 ZINC001293845524 1066348253 /nfs/dbraw/zinc/34/82/53/1066348253.db2.gz AALHOJBNIJQCPZ-INIZCTEOSA-N 0 0 481.439 2.946 20 0 JFADRN CCC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC001293845602 1066348376 /nfs/dbraw/zinc/34/83/76/1066348376.db2.gz APEVMTNIWIUISX-PXDATVDWSA-N 0 0 476.666 2.594 20 0 JFADRN CCC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001293846064 1066349026 /nfs/dbraw/zinc/34/90/26/1066349026.db2.gz CYVAPIMRQSRJRW-HMHJJOSWSA-N 0 0 489.617 2.853 20 0 JFADRN CCC[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 ZINC001293847843 1066350046 /nfs/dbraw/zinc/35/00/46/1066350046.db2.gz MZUZCFPXULZEFT-RQXXJAGISA-N 0 0 465.620 2.896 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001293848606 1066350844 /nfs/dbraw/zinc/35/08/44/1066350844.db2.gz ABVYBAUXPYQUDK-CVEARBPZSA-N 0 0 491.434 2.962 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001293849044 1066352017 /nfs/dbraw/zinc/35/20/17/1066352017.db2.gz XIYYEDQRLHXZMR-JENIJYKNSA-N 0 0 476.647 2.997 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC001293849047 1066352028 /nfs/dbraw/zinc/35/20/28/1066352028.db2.gz XIYYEDQRLHXZMR-YQVWRLOYSA-N 0 0 476.647 2.997 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccc(O)cc2C1 ZINC001293849225 1066352366 /nfs/dbraw/zinc/35/23/66/1066352366.db2.gz YLXLSXWTUGRQEZ-KRWDZBQOSA-N 0 0 477.569 2.746 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 ZINC001293849410 1066352612 /nfs/dbraw/zinc/35/26/12/1066352612.db2.gz GUWKJKRIWUUZIK-IBGZPJMESA-N 0 0 482.629 2.955 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001293849657 1066353257 /nfs/dbraw/zinc/35/32/57/1066353257.db2.gz JHXXSKIVLFYSOD-YOEHRIQHSA-N 0 0 488.980 2.815 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2cccc3cccnc32)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001293849672 1066353550 /nfs/dbraw/zinc/35/35/50/1066353550.db2.gz JVNRJHFSYJHRMP-HKUYNNGSSA-N 0 0 484.626 2.669 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1 ZINC001293849660 1066353643 /nfs/dbraw/zinc/35/36/43/1066353643.db2.gz JOISVJRGTASIDX-FRQCXROJSA-N 0 0 489.020 2.874 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccnc2C)CC1 ZINC001293850127 1066354701 /nfs/dbraw/zinc/35/47/01/1066354701.db2.gz HWMUBQKLGKGESL-LJQANCHMSA-N 0 0 492.628 2.931 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001293850054 1066354855 /nfs/dbraw/zinc/35/48/55/1066354855.db2.gz MWMUBDKZONDUJW-MSOLQXFVSA-N 0 0 472.590 2.783 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001293850736 1066356676 /nfs/dbraw/zinc/35/66/76/1066356676.db2.gz SUKUNVRAIPUMBD-WBVHZDCISA-N 0 0 498.049 2.783 20 0 JFADRN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cc(I)c(F)cc1F)CC2 ZINC001293851365 1066357378 /nfs/dbraw/zinc/35/73/78/1066357378.db2.gz AEQUFRMVHUHTEJ-HUUCEWRRSA-N 0 0 451.251 2.962 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001293851922 1066357933 /nfs/dbraw/zinc/35/79/33/1066357933.db2.gz WUEIGRHUNYKRKE-HKUYNNGSSA-N 0 0 484.601 2.579 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001293851927 1066357973 /nfs/dbraw/zinc/35/79/73/1066357973.db2.gz WVARXTZGQMEIFG-NYHFZMIOSA-N 0 0 475.981 2.577 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001293852622 1066358748 /nfs/dbraw/zinc/35/87/48/1066358748.db2.gz YCCBYMVGAJCBMA-HZPDHXFCSA-N 0 0 477.009 2.826 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)F)CC1 ZINC001293852636 1066359050 /nfs/dbraw/zinc/35/90/50/1066359050.db2.gz YIGRRPVQRMNMMU-HNNXBMFYSA-N 0 0 469.968 2.933 20 0 JFADRN CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cccc(S(=O)(=O)N(C)c3ccccc3)c1)CC2 ZINC001293853397 1066359576 /nfs/dbraw/zinc/35/95/76/1066359576.db2.gz PDBYEIJXGSPLNS-VXKWHMMOSA-N 0 0 458.580 2.904 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C1CC1 ZINC001293853698 1066360190 /nfs/dbraw/zinc/36/01/90/1066360190.db2.gz VVJCRRRIPHCQQU-OAHLLOKOSA-N 0 0 461.636 2.698 20 0 JFADRN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cn3cc(CNC(=O)OC(C)(C)C)ccc3n1)CC2 ZINC001293853619 1066360228 /nfs/dbraw/zinc/36/02/28/1066360228.db2.gz RXVYFTRGLYPKHG-RTBURBONSA-N 0 0 458.559 2.751 20 0 JFADRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cccnc1SCc1ccc(C(N)=O)cc1)CC2 ZINC001293853864 1066360932 /nfs/dbraw/zinc/36/09/32/1066360932.db2.gz WIWYEMRYHLVTRG-VQTJNVASSA-N 0 0 455.580 2.865 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001293854941 1066361784 /nfs/dbraw/zinc/36/17/84/1066361784.db2.gz CZDSOUGWMOMTMY-ROUUACIJSA-N 0 0 466.586 2.989 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 ZINC001293855170 1066362112 /nfs/dbraw/zinc/36/21/12/1066362112.db2.gz DUMAIMOBCXHCBN-SFHVURJKSA-N 0 0 498.607 2.705 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2cccn2C)nnc1N1CCC(N(C)C(=O)OCC)CC1 ZINC001293855235 1066362391 /nfs/dbraw/zinc/36/23/91/1066362391.db2.gz GAYIPNLDORVUIM-GOSISDBHSA-N 0 0 473.622 2.893 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2cnccn2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 ZINC001293855524 1066362830 /nfs/dbraw/zinc/36/28/30/1066362830.db2.gz HXSWRAWLCCPIOC-OALUTQOASA-N 0 0 451.579 2.634 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccccn2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001293855708 1066362909 /nfs/dbraw/zinc/36/29/09/1066362909.db2.gz IRECIXAPNPHDCI-SFHVURJKSA-N 0 0 462.602 2.916 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccccc2F)nnc1N1CCC(CC(=O)NC)CC1 ZINC001293855742 1066363245 /nfs/dbraw/zinc/36/32/45/1066363245.db2.gz JASZAJYKYZVMPV-KRWDZBQOSA-N 0 0 458.582 2.989 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001293856448 1066363852 /nfs/dbraw/zinc/36/38/52/1066363852.db2.gz MDZYMGKHEHZDCQ-SJORKVTESA-N 0 0 467.540 2.965 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccccc2F)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001293856459 1066363928 /nfs/dbraw/zinc/36/39/28/1066363928.db2.gz MGLHMCCHASHMHL-KRWDZBQOSA-N 0 0 456.566 2.743 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)OCC)CC1 ZINC001293857110 1066364606 /nfs/dbraw/zinc/36/46/06/1066364606.db2.gz POVVPGYLBCNTGC-QGZVFWFLSA-N 0 0 460.554 2.915 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2ccccn2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001293857401 1066364900 /nfs/dbraw/zinc/36/49/00/1066364900.db2.gz UHRJEGBSGGAADZ-IBGZPJMESA-N 0 0 488.658 2.830 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCc2ccc(OC)cc2C1 ZINC001293857777 1066365532 /nfs/dbraw/zinc/36/55/32/1066365532.db2.gz XQYVIWQDIFIJTA-KRWDZBQOSA-N 0 0 451.575 2.802 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001293857755 1066365563 /nfs/dbraw/zinc/36/55/63/1066365563.db2.gz XBWQCSODHNSEBS-RBUKOAKNSA-N 0 0 486.665 2.610 20 0 JFADRN CCC[C@H](C)C(=O)NCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCS(=O)CC1 ZINC001293857939 1066365860 /nfs/dbraw/zinc/36/58/60/1066365860.db2.gz YFPBZMNYUMCSJQ-KRWDZBQOSA-N 0 0 456.616 2.558 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cnccn1 ZINC001293858658 1066367045 /nfs/dbraw/zinc/36/70/45/1066367045.db2.gz GMAXCKJFEHBCJY-DYESRHJHSA-N 0 0 465.558 2.769 20 0 JFADRN CCC[C@@H](C)C(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001293858649 1066367059 /nfs/dbraw/zinc/36/70/59/1066367059.db2.gz GICPOCXIXTYEJT-WOJBJXKFSA-N 0 0 474.650 2.706 20 0 JFADRN 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Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@@H]2CCOC2)cc1C ZINC001289739382 1061352908 /nfs/dbraw/zinc/35/29/08/1061352908.db2.gz QMQKDNWNBRUPLK-FPOVZHCZSA-N 0 0 468.602 2.925 20 0 JFADRN CC(=O)N1CCN(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2scnc2C)CC1 ZINC001286890228 1061353305 /nfs/dbraw/zinc/35/33/05/1061353305.db2.gz PFJYCYLZBQBRSX-TZIWHRDSSA-N 0 0 489.690 2.762 20 0 JFADRN CC(=O)N1CCN(CCn2c(Cc3cccnc3)nnc2N(C)C/C(C)=C\c2ccccc2)CC1 ZINC001286890373 1061354435 /nfs/dbraw/zinc/35/44/35/1061354435.db2.gz PJNSILIFHRTSBJ-PYCFMQQDSA-N 0 0 473.625 2.968 20 0 JFADRN CC(=O)N1CCN(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@H]2C)CC1 ZINC001286890440 1061354529 /nfs/dbraw/zinc/35/45/29/1061354529.db2.gz RBIJIAJOJVKONW-HXUWFJFHSA-N 0 0 484.645 2.544 20 0 JFADRN CC(=O)N1CCN(CCn2c(COc3cccc(C)c3)nnc2N2CCC[C@H]2C(C)C)CC1 ZINC001286890626 1061356095 /nfs/dbraw/zinc/35/60/95/1061356095.db2.gz UPELCNICBPBKGA-QHCPKHFHSA-N 0 0 454.619 2.954 20 0 JFADRN CC(=O)N1CCN(CCn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)c2ccccc2F)CC1 ZINC001286890963 1061357522 /nfs/dbraw/zinc/35/75/22/1061357522.db2.gz VHGBPIZIENWRGY-ICSRJNTNSA-N 0 0 458.582 2.673 20 0 JFADRN CC(=O)N1CCN(CCn2c(CCc3ccccc3)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001286890952 1061357732 /nfs/dbraw/zinc/35/77/32/1061357732.db2.gz VGNHCCAHWRJMLG-UHFFFAOYSA-N 0 0 450.587 2.765 20 0 JFADRN CC(=O)N1CCN(CCn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001286891016 1061357936 /nfs/dbraw/zinc/35/79/36/1061357936.db2.gz YCAFPNOHFABKHN-KDURUIRLSA-N 0 0 458.582 2.643 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@H]([C@@H]4CCCO4)C3)n2CCC(C)(C)O)cc1C ZINC001289742533 1061358180 /nfs/dbraw/zinc/35/81/80/1061358180.db2.gz BQROJTGCCTWRRH-PMACEKPBSA-N 0 0 457.575 2.692 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@@H]2CCC(F)(F)C2)cc1C ZINC001289742531 1061358278 /nfs/dbraw/zinc/35/82/78/1061358278.db2.gz BOBHBURZRCRETK-QGZVFWFLSA-N 0 0 496.584 2.664 20 0 JFADRN CC(=O)N1CCN(CCn2c(CCCc3ccccc3)nnc2N(C)Cc2ccccn2)CC1 ZINC001286891073 1061358441 /nfs/dbraw/zinc/35/84/41/1061358441.db2.gz ZLYJMFZUDKYOBJ-UHFFFAOYSA-N 0 0 461.614 2.649 20 0 JFADRN CC(=O)N1CCN(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001286891284 1061359033 /nfs/dbraw/zinc/35/90/33/1061359033.db2.gz WZRXDZYMULZRHP-MOPGFXCFSA-N 0 0 488.608 2.725 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@@]2(O)CCO[C@H]2C)cc1C ZINC001289743278 1061359874 /nfs/dbraw/zinc/35/98/74/1061359874.db2.gz MORSDMWBKLFMML-XFAGBWLFSA-N 0 0 457.575 2.691 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCS(C)(=O)=O)cc1C ZINC001289743370 1061360422 /nfs/dbraw/zinc/36/04/22/1061360422.db2.gz OPTJJCILYICQKH-QHCPKHFHSA-N 0 0 477.631 2.833 20 0 JFADRN CC(=O)N1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001286891695 1061361654 /nfs/dbraw/zinc/36/16/54/1061361654.db2.gz NGPZAWXWYGMPGM-LJQANCHMSA-N 0 0 478.066 2.735 20 0 JFADRN CC(=O)Nc1ccc(CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC001286891759 1061362155 /nfs/dbraw/zinc/36/21/55/1061362155.db2.gz BCOOCTVAFBFVQE-LEWJYISDSA-N 0 0 475.615 2.734 20 0 JFADRN CC(=O)N1CCN(CCn2c(-c3ccccc3C)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001286891883 1061362541 /nfs/dbraw/zinc/36/25/41/1061362541.db2.gz PXVVBVNNVHCIFV-NRFANRHFSA-N 0 0 497.644 2.521 20 0 JFADRN CC(=O)N1CCN(CCn2c(-c3ccccn3)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)CC1 ZINC001286891926 1061362579 /nfs/dbraw/zinc/36/25/79/1061362579.db2.gz QOFCLGRUKPMELP-KRWDZBQOSA-N 0 0 469.540 2.980 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CCS(=O)(=O)CC3)n2CC(C)(C)N2CCCCC2)cc1C ZINC001289746104 1061363008 /nfs/dbraw/zinc/36/30/08/1061363008.db2.gz CIIOMHHQCPZRBY-UHFFFAOYSA-N 0 0 488.658 2.647 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CCSC[C@@H]3C)n2C[C@H]2CCCN2S(C)(=O)=O)cc1C ZINC001289746766 1061364572 /nfs/dbraw/zinc/36/45/72/1061364572.db2.gz KTFJCDSDNJBYJT-PKOBYXMFSA-N 0 0 492.671 2.513 20 0 JFADRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)C)n3Cc3ccc(C(N)=O)nc3)C2)nc1 ZINC001289746904 1061364951 /nfs/dbraw/zinc/36/49/51/1061364951.db2.gz FFBUVPOAQQMSSB-GOSISDBHSA-N 0 0 462.558 2.502 20 0 JFADRN CC(=O)N1CCN(CCn2c(-c3ccc(Cl)cc3F)nnc2N(C)Cc2ccon2)CC1 ZINC001286892572 1061365255 /nfs/dbraw/zinc/36/52/55/1061365255.db2.gz XIZMDJKNLQHAPC-UHFFFAOYSA-N 0 0 461.929 2.526 20 0 JFADRN Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC3CCCC3)C2)nc1 ZINC001289746891 1061365146 /nfs/dbraw/zinc/36/51/46/1061365146.db2.gz DYKSJMICXGNUSL-HKUYNNGSSA-N 0 0 489.646 2.637 20 0 JFADRN CC(=O)N1CCN(CCn2c(-c3cn(C)c4ccccc34)nnc2N(C)CCC(F)(F)F)CC1 ZINC001286892638 1061365531 /nfs/dbraw/zinc/36/55/31/1061365531.db2.gz ZDCDNRVLDQMMRB-UHFFFAOYSA-N 0 0 477.535 2.990 20 0 JFADRN CC(=O)Nc1ccc(CCn2c([C@@H]3CCCCO3)nnc2N(C)CCCS(C)(=O)=O)cc1 ZINC001286892629 1061365646 /nfs/dbraw/zinc/36/56/46/1061365646.db2.gz RXWWTYHDAJMWGD-FQEVSTJZSA-N 0 0 463.604 2.592 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3C[C@H]4OCO[C@H]4C3)n2CC(F)(F)Br)cc1C ZINC001289747159 1061366048 /nfs/dbraw/zinc/36/60/48/1061366048.db2.gz OGQUQNJNKLXIOU-OKILXGFUSA-N 0 0 472.290 2.696 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3CCSC(C)(C)C3)n2CC(=O)NCC(F)F)cc1C ZINC001289747166 1061366064 /nfs/dbraw/zinc/36/60/64/1061366064.db2.gz OGZCRQFTOGFGJB-UHFFFAOYSA-N 0 0 466.558 2.860 20 0 JFADRN Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC(=O)N(C)C)cc1C ZINC001289747548 1061366521 /nfs/dbraw/zinc/36/65/21/1061366521.db2.gz RKJGTFIJMPSWTP-GDBMZVCRSA-N 0 0 452.481 2.870 20 0 JFADRN CC(=O)Nc1ccc(CCn2c(Nc3ccn(C)n3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001286892971 1061367351 /nfs/dbraw/zinc/36/73/51/1061367351.db2.gz AYNQKONTHPGTPG-HSZRJFAPSA-N 0 0 453.547 2.997 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2c(C)nn(C)c2C)cc1 ZINC001286893163 1061368209 /nfs/dbraw/zinc/36/82/09/1061368209.db2.gz IGGDEOHJEUBZQE-UHFFFAOYSA-N 0 0 487.568 2.919 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](O)CC3(CCCC3)C2)cc1 ZINC001286893518 1061369287 /nfs/dbraw/zinc/36/92/87/1061369287.db2.gz OSKKPRITAQADEM-FQEVSTJZSA-N 0 0 454.575 2.554 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(C)nnc2N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cn1 ZINC001286893791 1061370035 /nfs/dbraw/zinc/37/00/35/1061370035.db2.gz HZKGRDKEWDSSTJ-UHFFFAOYSA-N 0 0 468.949 2.892 20 0 JFADRN Cc1ccc(NC(=O)C2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCC[C@H](O)C3)CC2)nc1 ZINC001289748947 1061370036 /nfs/dbraw/zinc/37/00/36/1061370036.db2.gz WMVYCLJAEPJFBG-ICSRJNTNSA-N 0 0 483.617 2.526 20 0 JFADRN CN1C(=O)Cc2cc(CNC(=O)c3cnn(C(C)(C)C)c3I)ccc21 ZINC001289749236 1061370621 /nfs/dbraw/zinc/37/06/21/1061370621.db2.gz GDYXSKMIBIVROK-UHFFFAOYSA-N 0 0 452.296 2.692 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2scnc2C)cc1 ZINC001286894313 1061372451 /nfs/dbraw/zinc/37/24/51/1061372451.db2.gz CHCDGFJCSJQOFV-KRWDZBQOSA-N 0 0 474.612 2.588 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCOC[C@H]2C)cc1 ZINC001289751630 1061373602 /nfs/dbraw/zinc/37/36/02/1061373602.db2.gz VSEQSNKKIHINMN-MOPGFXCFSA-N 0 0 477.569 2.981 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)C2CCCCC2)cn1 ZINC001286895168 1061374279 /nfs/dbraw/zinc/37/42/79/1061374279.db2.gz NQXGUWLKTLLGKM-OXJNMPFZSA-N 0 0 474.631 2.987 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(Cc3ccccc3C)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cn1 ZINC001286895227 1061374905 /nfs/dbraw/zinc/37/49/05/1061374905.db2.gz PUEFKFOECVSSSB-ZWKOTPCHSA-N 0 0 484.626 2.837 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CSCCS2)cc1 ZINC001289753388 1061375387 /nfs/dbraw/zinc/37/53/87/1061375387.db2.gz KKFCRWCKQWOHPR-QGZVFWFLSA-N 0 0 455.613 2.967 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 ZINC001289753938 1061376171 /nfs/dbraw/zinc/37/61/71/1061376171.db2.gz ONLXSCZGWRNPBL-RXFWQSSRSA-N 0 0 498.628 2.617 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccsc2)cc1 ZINC001289754615 1061376726 /nfs/dbraw/zinc/37/67/26/1061376726.db2.gz VEOHFFUQSXWTKL-MBSDFSHPSA-N 0 0 468.583 2.582 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCS[C@H](C)[C@H]2C)cn1 ZINC001286896018 1061377530 /nfs/dbraw/zinc/37/75/30/1061377530.db2.gz DYDXDBSGGHTFQI-IAGOWNOFSA-N 0 0 454.604 2.872 20 0 JFADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)O)C2)cc1 ZINC001289756011 1061378822 /nfs/dbraw/zinc/37/88/22/1061378822.db2.gz IFRMDCQTIOLIRE-GOSISDBHSA-N 0 0 471.606 2.534 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)c2nc(C)cs2)CC1 ZINC001286896247 1061378819 /nfs/dbraw/zinc/37/88/19/1061378819.db2.gz ABNVJXOWFAOUCZ-MNNVXMFVSA-N 0 0 473.647 2.966 20 0 JFADRN Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001289756472 1061379238 /nfs/dbraw/zinc/37/92/38/1061379238.db2.gz LGYDTRXLXZHUOX-RTBURBONSA-N 0 0 496.534 2.776 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(CCC(N)=O)CC2)c1 ZINC001286896566 1061379982 /nfs/dbraw/zinc/37/99/82/1061379982.db2.gz GUNRHWNIHACYOM-UHFFFAOYSA-N 0 0 478.601 2.628 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)cc1 ZINC001286896656 1061380434 /nfs/dbraw/zinc/38/04/34/1061380434.db2.gz NACGOSZKPSIUJV-NRFANRHFSA-N 0 0 495.628 2.538 20 0 JFADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C3CC3)C2)cc1 ZINC001289758713 1061380456 /nfs/dbraw/zinc/38/04/56/1061380456.db2.gz FQQSTGPQJXAIFN-IAGOWNOFSA-N 0 0 475.619 2.570 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c(-c3cnccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC001289758675 1061380630 /nfs/dbraw/zinc/38/06/30/1061380630.db2.gz DVFZZFOGZNVLOI-UYAOXDASSA-N 0 0 470.599 2.915 20 0 JFADRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C3CC3)C2)cc1 ZINC001289758715 1061380787 /nfs/dbraw/zinc/38/07/87/1061380787.db2.gz FQQSTGPQJXAIFN-SJORKVTESA-N 0 0 475.619 2.570 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)c1 ZINC001286896968 1061381061 /nfs/dbraw/zinc/38/10/61/1061381061.db2.gz JKUDNMLJEQGQHA-HXUWFJFHSA-N 0 0 492.628 2.840 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 ZINC001286897004 1061381421 /nfs/dbraw/zinc/38/14/21/1061381421.db2.gz KTIQBICVOTVSTB-ZSHKSDETSA-N 0 0 491.036 2.861 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(O)(C(F)(F)F)CC2)cc1 ZINC001289759369 1061381614 /nfs/dbraw/zinc/38/16/14/1061381614.db2.gz LZIBMDMYFKJRMI-NVXWUHKLSA-N 0 0 467.492 2.899 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)C(C)C)CC2)cc1 ZINC001289759466 1061381934 /nfs/dbraw/zinc/38/19/34/1061381934.db2.gz NAZYBGZWMLLQFM-IBGZPJMESA-N 0 0 451.575 2.759 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(CC3CCCC3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cn1 ZINC001286897291 1061382120 /nfs/dbraw/zinc/38/21/20/1061382120.db2.gz RMSRELXKCKBNHN-JKSUJKDBSA-N 0 0 462.620 2.670 20 0 JFADRN Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nnc(-c4cnccn4)n3CC(=O)NC(C)C)C2)cc1 ZINC001289759942 1061382375 /nfs/dbraw/zinc/38/23/75/1061382375.db2.gz RCMIFIOGXFBAGI-LJQANCHMSA-N 0 0 491.600 2.606 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(F)F)cc2)CC1 ZINC001286897525 1061382710 /nfs/dbraw/zinc/38/27/10/1061382710.db2.gz RKLKSRQGLITZPZ-UHFFFAOYSA-N 0 0 478.544 2.950 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cc1 ZINC001289760636 1061382929 /nfs/dbraw/zinc/38/29/29/1061382929.db2.gz WDZUKFAHNOPTLR-ROUUACIJSA-N 0 0 486.598 2.571 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(-c3cccc4cccnc43)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cn1 ZINC001286897664 1061383030 /nfs/dbraw/zinc/38/30/30/1061383030.db2.gz OTGHSPUEQVVGAO-INIZCTEOSA-N 0 0 493.593 2.764 20 0 JFADRN Cc1ccc(O[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCCN(C(=O)C(C)C)CC2)cc1 ZINC001289761399 1061383313 /nfs/dbraw/zinc/38/33/13/1061383313.db2.gz YVGGLTTZMIJZKT-FQEVSTJZSA-N 0 0 470.618 2.887 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)CN2CCOCC2)cc1 ZINC001289761085 1061383489 /nfs/dbraw/zinc/38/34/89/1061383489.db2.gz XGALFOMZJOAZFA-IRLDBZIGSA-N 0 0 484.645 2.800 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(-c3cccn3C)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC001286897780 1061383545 /nfs/dbraw/zinc/38/35/45/1061383545.db2.gz AXJFBLIJGAUYNQ-HOTGVXAUSA-N 0 0 458.588 2.548 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCCN(C(=O)C(C)C)CC2)cc1 ZINC001289761400 1061383856 /nfs/dbraw/zinc/38/38/56/1061383856.db2.gz YVGGLTTZMIJZKT-HXUWFJFHSA-N 0 0 470.618 2.887 20 0 JFADRN O=C(COc1c(I)cc(Cl)c2cccnc21)NCc1cnccn1 ZINC001289763727 1061385334 /nfs/dbraw/zinc/38/53/34/1061385334.db2.gz XBWUCFNCLYLEAA-UHFFFAOYSA-N 0 0 454.655 2.978 20 0 JFADRN Cc1ccc(O[C@H](C)Cn2c(CC(C)C)nnc2N2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC001289763778 1061385481 /nfs/dbraw/zinc/38/54/81/1061385481.db2.gz OSWCSFMXGGTJOQ-JOCHJYFZSA-N 0 0 468.646 2.997 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cnn(C)c2)c1 ZINC001289764044 1061385500 /nfs/dbraw/zinc/38/55/00/1061385500.db2.gz PRLJORZRXAGVRS-UHFFFAOYSA-N 0 0 459.501 2.842 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(CCc3ccccc3)nnc2N2CCC(CC(N)=O)CC2)cn1 ZINC001286898244 1061385790 /nfs/dbraw/zinc/38/57/90/1061385790.db2.gz WTFVXZGDRDOIGE-UHFFFAOYSA-N 0 0 461.570 2.557 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(CC3CC3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)cn1 ZINC001286898253 1061385858 /nfs/dbraw/zinc/38/58/58/1061385858.db2.gz WXRHGHAAMIYHCC-LJQANCHMSA-N 0 0 453.591 2.621 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(N(C)CCc3cnccn3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001286898368 1061386260 /nfs/dbraw/zinc/38/62/60/1061386260.db2.gz YBDJTGHUNMCWHG-RUZDIDTESA-N 0 0 479.585 2.794 20 0 JFADRN CC(=O)Nc1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)CCCNC(=O)C2CCC2)cc1 ZINC001286898565 1061386868 /nfs/dbraw/zinc/38/68/68/1061386868.db2.gz HLIRKSWDHJHFOS-OAQYLSRUSA-N 0 0 454.575 2.879 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)cn1 ZINC001286898552 1061386929 /nfs/dbraw/zinc/38/69/29/1061386929.db2.gz ZVATYEOHYNNUBY-UTKZUKDTSA-N 0 0 450.543 2.774 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c(-c3cccn3C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 ZINC001289766368 1061386976 /nfs/dbraw/zinc/38/69/76/1061386976.db2.gz GZZSYRFLAHCVQJ-INIZCTEOSA-N 0 0 494.568 2.712 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)c1 ZINC001286898882 1061387246 /nfs/dbraw/zinc/38/72/46/1061387246.db2.gz KFBXZJMZYREKCM-MRXNPFEDSA-N 0 0 493.534 2.594 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCOC3)nnc2N2CCC(S(C)(=O)=O)CC2)c1 ZINC001289766686 1061387542 /nfs/dbraw/zinc/38/75/42/1061387542.db2.gz KMZDLILESPHYKP-HNNXBMFYSA-N 0 0 470.542 2.754 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CCC(N)=O)CC2)c1 ZINC001286899039 1061387637 /nfs/dbraw/zinc/38/76/37/1061387637.db2.gz LSUFCHPCOQPZRA-HXUWFJFHSA-N 0 0 454.575 2.661 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c(C3CC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 ZINC001289767312 1061387801 /nfs/dbraw/zinc/38/78/01/1061387801.db2.gz MULXSNZNRMPPBD-AWEZNQCLSA-N 0 0 455.531 2.584 20 0 JFADRN Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)c1 ZINC001289768292 1061388716 /nfs/dbraw/zinc/38/87/16/1061388716.db2.gz RBVLSULZSKHEQW-IAGOWNOFSA-N 0 0 499.584 2.506 20 0 JFADRN Cc1ccc(OC2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCOC(C)C)CC2)cc1 ZINC001289768475 1061389174 /nfs/dbraw/zinc/38/91/74/1061389174.db2.gz JTZSHPJCEIJQAH-SFHVURJKSA-N 0 0 465.620 2.670 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)c1 ZINC001286899560 1061389405 /nfs/dbraw/zinc/38/94/05/1061389405.db2.gz WJQTUOUWYZYGDH-CSMYWGQOSA-N 0 0 450.465 2.871 20 0 JFADRN CC(=O)Nc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)c2ccco2)c1 ZINC001286899617 1061389423 /nfs/dbraw/zinc/38/94/23/1061389423.db2.gz YGYSEXLWTKSAEV-MAUKXSAKSA-N 0 0 457.556 2.977 20 0 JFADRN CC(=O)Nc1cccc(Cn2c(-c3cccnc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC001286899527 1061389504 /nfs/dbraw/zinc/38/95/04/1061389504.db2.gz VMAUPDZOEUWUNJ-GOSISDBHSA-N 0 0 487.486 2.852 20 0 JFADRN CC(=O)Nc1ccc(Cn2c(N(C)CCC3CCOCC3)nnc2[C@@]2(OC(C)C)CCOC2)cn1 ZINC001286899779 1061390269 /nfs/dbraw/zinc/39/02/69/1061390269.db2.gz VBMUHSYRIVTHCV-RUZDIDTESA-N 0 0 486.617 2.973 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@](C)(O)C(C)C)cc1 ZINC001289769919 1061391541 /nfs/dbraw/zinc/39/15/41/1061391541.db2.gz YGTMQDIKOLCPSD-HMFYCAOWSA-N 0 0 452.621 2.830 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCCCO3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001286900447 1061391800 /nfs/dbraw/zinc/39/18/00/1061391800.db2.gz GSHLFIFIQSJLGI-QETWGEEDSA-N 0 0 489.642 2.855 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3cnccn3)n2Cc2cnn(CC(C)C)c2C)CC1 ZINC001286900468 1061392346 /nfs/dbraw/zinc/39/23/46/1061392346.db2.gz HYHHFKZNCKKFPC-UHFFFAOYSA-N 0 0 465.606 2.828 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N(C)c2ccccc2)CC1 ZINC001286900450 1061392466 /nfs/dbraw/zinc/39/24/66/1061392466.db2.gz HFBMZRNDVKGVLQ-OVFPNMQZSA-N 0 0 467.618 2.638 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC2([S@@](C)=O)CCC2)cc1C ZINC001289772146 1061393032 /nfs/dbraw/zinc/39/30/32/1061393032.db2.gz FJRUOJMBDGPGSU-FZEVHQGJSA-N 0 0 482.672 2.644 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(C3CC3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 ZINC001286900927 1061393225 /nfs/dbraw/zinc/39/32/25/1061393225.db2.gz MZHXJIAOFINETI-UHFFFAOYSA-N 0 0 452.603 2.984 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(C(C)(C)C)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 ZINC001286901094 1061393645 /nfs/dbraw/zinc/39/36/45/1061393645.db2.gz ASARKIZGAGPCGA-GKYDQMIMSA-N 0 0 494.706 2.663 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@H](C)CC(N)=O)n2CCC(=O)N2CCCCC2)cc1C ZINC001289772549 1061393993 /nfs/dbraw/zinc/39/39/93/1061393993.db2.gz JJNAQYBOQRMUJT-LJQANCHMSA-N 0 0 456.591 2.577 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCCN(C)CC(F)(F)F)cc1 ZINC001289773719 1061395024 /nfs/dbraw/zinc/39/50/24/1061395024.db2.gz FGAKFNNOQINYQJ-QGZVFWFLSA-N 0 0 489.564 2.673 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2CC[C@H]2CCO[C@@H](C)C2)cc1C ZINC001289773734 1061395044 /nfs/dbraw/zinc/39/50/44/1061395044.db2.gz FLOQHBMWSVDXIS-VXKWHMMOSA-N 0 0 485.629 2.974 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccccc2C)CC1 ZINC001286901816 1061395594 /nfs/dbraw/zinc/39/55/94/1061395594.db2.gz WQQUGNCHECFBER-GHOZHQTGSA-N 0 0 468.602 2.889 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCO[C@@H]2C(C)C)cc1 ZINC001289773886 1061395614 /nfs/dbraw/zinc/39/56/14/1061395614.db2.gz GTUVOGBXPQACEE-WOIUINJBSA-N 0 0 462.616 2.850 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@H](C)Oc3ccccc3F)n2CC(=O)N(C)C)CC1 ZINC001286902230 1061395947 /nfs/dbraw/zinc/39/59/47/1061395947.db2.gz LKTGEIVUSYMKAF-ZLPCBKJTSA-N 0 0 460.554 2.529 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nccn2C(F)F)CC1 ZINC001286902160 1061396015 /nfs/dbraw/zinc/39/60/15/1061396015.db2.gz JJJBNRCWQUYEPJ-KXXGJQBSSA-N 0 0 495.575 2.842 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(CC(C)C)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001286902516 1061397895 /nfs/dbraw/zinc/39/78/95/1061397895.db2.gz CEQNLMHDEYRHMK-UHFFFAOYSA-N 0 0 461.632 2.812 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cc(C)on2)CC1 ZINC001286902697 1061399106 /nfs/dbraw/zinc/39/91/06/1061399106.db2.gz RWUWBEKFXBHYRP-UHFFFAOYSA-N 0 0 486.598 2.577 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CCOCC2)CC1 ZINC001286902905 1061399588 /nfs/dbraw/zinc/39/95/88/1061399588.db2.gz FMFPGHMJFHKBBN-UHFFFAOYSA-N 0 0 476.021 2.947 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001286903013 1061400072 /nfs/dbraw/zinc/40/00/72/1061400072.db2.gz VAJFHJIXYZUUNN-HEZAVNPASA-N 0 0 496.703 2.712 20 0 JFADRN CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)CCCS(=O)(=O)N2CCCC2)C1 ZINC001289777875 1061401119 /nfs/dbraw/zinc/40/11/19/1061401119.db2.gz ICTQIYRTYQELGG-JOCHJYFZSA-N 0 0 457.637 2.974 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3cccnc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001286903121 1061401206 /nfs/dbraw/zinc/40/12/06/1061401206.db2.gz GUFMUGOYQNONPK-RDABAPPSSA-N 0 0 493.587 2.707 20 0 JFADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C(N)=O)c2ccc(Cl)cc2)ccc1Cl ZINC001289777960 1061401708 /nfs/dbraw/zinc/40/17/08/1061401708.db2.gz IZSUUHJBCQKGLB-QGZVFWFLSA-N 0 0 458.367 2.980 20 0 JFADRN Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C)cc2)n1Cc1ccc(C(N)=O)nc1 ZINC001289778121 1061401735 /nfs/dbraw/zinc/40/17/35/1061401735.db2.gz UBIQWIYIJNQXKF-UHFFFAOYSA-N 0 0 461.526 2.949 20 0 JFADRN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C)cc2)n1CC(=O)NCC1CC1 ZINC001289778173 1061401770 /nfs/dbraw/zinc/40/17/70/1061401770.db2.gz VWSGZAUJQADICG-UHFFFAOYSA-N 0 0 451.575 2.678 20 0 JFADRN Cc1c(C(=O)N2CCN(C)c3ncc(C)cc32)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001289778658 1061402633 /nfs/dbraw/zinc/40/26/33/1061402633.db2.gz VMDFLHAJAGZEAY-UHFFFAOYSA-N 0 0 455.563 2.959 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2COCCO2)CC1 ZINC001286903461 1061402811 /nfs/dbraw/zinc/40/28/11/1061402811.db2.gz XXZIRJSIFUVPPK-RGPLYGECSA-N 0 0 475.565 2.856 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2C[C@H]2CCCCS2(=O)=O)cc1 ZINC001289781901 1061404713 /nfs/dbraw/zinc/40/47/13/1061404713.db2.gz AVXHNBOQWQEEIA-HXUWFJFHSA-N 0 0 458.588 2.503 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(=O)NC(C)(C)C)CC1 ZINC001286903617 1061404833 /nfs/dbraw/zinc/40/48/33/1061404833.db2.gz LJBHYBOMTJGMOF-UHFFFAOYSA-N 0 0 498.628 2.905 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC(=O)N2CCOCC2)cc1 ZINC001289782581 1061405744 /nfs/dbraw/zinc/40/57/44/1061405744.db2.gz JGHACSSPKKSVTB-UHFFFAOYSA-N 0 0 479.585 2.574 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)Cc3cccs3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1C ZINC001289782737 1061406592 /nfs/dbraw/zinc/40/65/92/1061406592.db2.gz LAXBEEUTJYMEGC-JOCHJYFZSA-N 0 0 476.624 2.721 20 0 JFADRN O=C(COc1ccc(I)cc1)Nc1ccc(N2C(=O)CCC2=O)cc1 ZINC001289783006 1061406623 /nfs/dbraw/zinc/40/66/23/1061406623.db2.gz QBBZCVGHJFRCAP-UHFFFAOYSA-N 0 0 450.232 2.962 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(Cc3c(F)cccc3F)n2CC(=O)NC(C)C)CC1 ZINC001286904093 1061407713 /nfs/dbraw/zinc/40/77/13/1061407713.db2.gz OECBDTSEQPEGPS-UHFFFAOYSA-N 0 0 462.545 2.555 20 0 JFADRN CSCC[C@@H](C(=O)NCc1ncccc1Br)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001289783275 1061408416 /nfs/dbraw/zinc/40/84/16/1061408416.db2.gz WAHUDOLJFRWQAI-ZENOOKHLSA-N 0 0 454.390 2.757 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2OCCC2(C)C)C1 ZINC001286904270 1061408412 /nfs/dbraw/zinc/40/84/12/1061408412.db2.gz GISWTXTVWPOAHX-UXHICEINSA-N 0 0 489.020 2.782 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(F)cn2)CC1 ZINC001286904387 1061409546 /nfs/dbraw/zinc/40/95/46/1061409546.db2.gz UAVNTZLOZJIPAJ-UHFFFAOYSA-N 0 0 454.554 2.606 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CCCS(C)(=O)=O)n2CC2(C)CCOCC2)cc1 ZINC001289786254 1061410698 /nfs/dbraw/zinc/41/06/98/1061410698.db2.gz DZTBUEUIKKKXCH-UHFFFAOYSA-N 0 0 450.605 2.853 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc(Cc3cccnc3)n2Cc2nccn2C(F)F)CC1 ZINC001286904576 1061410885 /nfs/dbraw/zinc/41/08/85/1061410885.db2.gz RRXDKLFHOYFUGE-UHFFFAOYSA-N 0 0 458.517 2.787 20 0 JFADRN Cc1ccc(OCc2nnc(N(C)CCNS(C)(=O)=O)n2C[C@H]2CCCc3cccnc32)cc1 ZINC001289786357 1061412187 /nfs/dbraw/zinc/41/21/87/1061412187.db2.gz HCCVAPREGLGFJX-HXUWFJFHSA-N 0 0 484.626 2.666 20 0 JFADRN CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCCO3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001286904670 1061413562 /nfs/dbraw/zinc/41/35/62/1061413562.db2.gz IPOPYPZCOGNLJV-MKCYZYCBSA-N 0 0 472.556 2.897 20 0 JFADRN Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCCOC2CCOCC2)cc1C ZINC001289790567 1061416065 /nfs/dbraw/zinc/41/60/65/1061416065.db2.gz HIDOYQIRCVFELV-FQEVSTJZSA-N 0 0 471.602 2.727 20 0 JFADRN Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CCS(=O)(=O)C(C)(C)C)cc1 ZINC001289790838 1061417714 /nfs/dbraw/zinc/41/77/14/1061417714.db2.gz 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KVGKVEDJJKUSDD-SUNKGSAMSA-N 0 0 458.300 2.565 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC2(C(N)=O)CCCC2)cc1C ZINC001289810566 1061455555 /nfs/dbraw/zinc/45/55/55/1061455555.db2.gz UUZJSUFQTKVMDS-UHFFFAOYSA-N 0 0 489.642 2.533 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2ccccc2C)C1 ZINC001286910462 1061457281 /nfs/dbraw/zinc/45/72/81/1061457281.db2.gz XBGTXNGVXACZHV-PXDATVDWSA-N 0 0 471.602 2.811 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C)c2)C1 ZINC001286911037 1061460187 /nfs/dbraw/zinc/46/01/87/1061460187.db2.gz FGWJXAMNEGSLEM-LJQANCHMSA-N 0 0 452.584 2.731 20 0 JFADRN Cc1ccc(OCc2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCCOC(F)(F)F)cc1 ZINC001289812375 1061461804 /nfs/dbraw/zinc/46/18/04/1061461804.db2.gz QSAAIZYJHKHNIZ-FQEVSTJZSA-N 0 0 453.465 2.951 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001286911445 1061462248 /nfs/dbraw/zinc/46/22/48/1061462248.db2.gz WVLOVWGOSLRRTL-QZTJIDSGSA-N 0 0 457.579 2.778 20 0 JFADRN COC(=O)[C@]1(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)C[C@H](C)C3)C2=O)CC[C@H](C)c2ccccc21 ZINC001289812669 1061462640 /nfs/dbraw/zinc/46/26/40/1061462640.db2.gz VMPKXGLLOIOEDS-WYFTXXFISA-N 0 0 455.555 2.815 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2C[C@@H]2CCCS2)cc1 ZINC001289813509 1061464607 /nfs/dbraw/zinc/46/46/07/1061464607.db2.gz DRIPENMMRCBVSK-ICSRJNTNSA-N 0 0 479.672 2.827 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCCn2cnnn2)cc1C ZINC001289813804 1061467454 /nfs/dbraw/zinc/46/74/54/1061467454.db2.gz LOPFUZQOSLBOMN-HXUWFJFHSA-N 0 0 495.632 2.682 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCCC(C)(C)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1C ZINC001289813899 1061468158 /nfs/dbraw/zinc/46/81/58/1061468158.db2.gz NCUGLAMEYKIEGW-HSZRJFAPSA-N 0 0 462.616 2.650 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)N2CCCCC2)C1 ZINC001286912318 1061468372 /nfs/dbraw/zinc/46/83/72/1061468372.db2.gz NKJDXROTVXPOHK-KCZVDYSFSA-N 0 0 474.650 2.704 20 0 JFADRN 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CC(=O)NC[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2ccn(C)n2)C1 ZINC001286922495 1061522829 /nfs/dbraw/zinc/52/28/29/1061522829.db2.gz UUAFTCRARSSFNZ-IEBWSBKVSA-N 0 0 469.565 2.886 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(C)coc2C)C1 ZINC001286922517 1061523227 /nfs/dbraw/zinc/52/32/27/1061523227.db2.gz VCSOWJSGURRPAN-HYBUGGRVSA-N 0 0 459.591 2.929 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N(C)c2ccccc2)C1 ZINC001286922548 1061523286 /nfs/dbraw/zinc/52/32/86/1061523286.db2.gz BBGBNQGTIGLJPD-QUCCMNQESA-N 0 0 450.591 2.556 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N(C)c2ccccc2)C1 ZINC001286922544 1061523321 /nfs/dbraw/zinc/52/33/21/1061523321.db2.gz BBGBNQGTIGLJPD-AZUAARDMSA-N 0 0 450.591 2.556 20 0 JFADRN Cc1occc1CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(C)cc1 ZINC001289850244 1061523348 /nfs/dbraw/zinc/52/33/48/1061523348.db2.gz SECTXDFKPFHQSU-NRFANRHFSA-N 0 0 489.598 2.536 20 0 JFADRN 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ZINC001286924020 1061528878 /nfs/dbraw/zinc/52/88/78/1061528878.db2.gz DNNRKBLNHHBWJW-WBVHZDCISA-N 0 0 451.930 2.506 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2cc(C)oc2C)C1 ZINC001286924108 1061528906 /nfs/dbraw/zinc/52/89/06/1061528906.db2.gz VXOXUCZESPHCMM-CYFREDJKSA-N 0 0 452.559 2.810 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2cc(C)oc2C)C1 ZINC001286924110 1061528922 /nfs/dbraw/zinc/52/89/22/1061528922.db2.gz VXOXUCZESPHCMM-NTKDMRAZSA-N 0 0 452.559 2.810 20 0 JFADRN Cc1ccc(S(=O)(=O)NCCn2c(C3CCC3)nnc2N2CCO[C@H](COC(C)C)C2)s1 ZINC001289855383 1061529276 /nfs/dbraw/zinc/52/92/76/1061529276.db2.gz CBQFFKQKTBHMEE-SFHVURJKSA-N 0 0 483.660 2.524 20 0 JFADRN CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)c2ccccc2)C1 ZINC001286924248 1061529429 /nfs/dbraw/zinc/52/94/29/1061529429.db2.gz FUVOYDNDOGWQQF-LJQANCHMSA-N 0 0 471.583 2.673 20 0 JFADRN CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)c2cccc(C)c2)C1 ZINC001286924372 1061529947 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CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CCO1 ZINC001286943203 1061599413 /nfs/dbraw/zinc/59/94/13/1061599413.db2.gz UNYDMBIAYIBBMO-NHCUHLMSSA-N 0 0 486.617 2.836 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC001286943174 1061599463 /nfs/dbraw/zinc/59/94/63/1061599463.db2.gz SRQWHXLJOPJQEO-KRWDZBQOSA-N 0 0 464.448 2.561 20 0 JFADRN Cc1cccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CCN2CCc3ccccc3C2)n1 ZINC001289909578 1061599693 /nfs/dbraw/zinc/59/96/93/1061599693.db2.gz QVABLVAJHFYPPN-LJQANCHMSA-N 0 0 468.627 2.576 20 0 JFADRN Cc1nnc(CCn2c(-c3cccc(C)n3)nnc2N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC001289909528 1061599882 /nfs/dbraw/zinc/59/98/82/1061599882.db2.gz QDTPBLOCBZHLHO-OAHLLOKOSA-N 0 0 498.638 2.896 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccncc2Cl)CCO1 ZINC001286943421 1061601216 /nfs/dbraw/zinc/60/12/16/1061601216.db2.gz BPRHWLZGMZJQPA-MRXNPFEDSA-N 0 0 476.915 2.585 20 0 JFADRN CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001294120719 1061601220 /nfs/dbraw/zinc/60/12/20/1061601220.db2.gz GSDVILKFLUHYHP-KRWDZBQOSA-N 0 0 472.565 2.675 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H](C)c2nc(C)cs2)CCO1 ZINC001286943528 1061603227 /nfs/dbraw/zinc/60/32/27/1061603227.db2.gz BBHDYGHLCGNNGT-KBXCAEBGSA-N 0 0 460.629 2.840 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H](C)c2nc(C)cs2)CCO1 ZINC001286943530 1061603295 /nfs/dbraw/zinc/60/32/95/1061603295.db2.gz BBHDYGHLCGNNGT-KSSFIOAISA-N 0 0 460.629 2.840 20 0 JFADRN CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001294121689 1061603618 /nfs/dbraw/zinc/60/36/18/1061603618.db2.gz ZQLBKRFWWASAKR-DEOSSOPVSA-N 0 0 470.574 2.967 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCCCS2)CCO1 ZINC001286943567 1061604043 /nfs/dbraw/zinc/60/40/43/1061604043.db2.gz BXYVMHFPUOMQJQ-NHCUHLMSSA-N 0 0 459.616 2.793 20 0 JFADRN 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CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2CCOCC2)CCO1 ZINC001286945751 1061628065 /nfs/dbraw/zinc/62/80/65/1061628065.db2.gz INCVSKPOVCXEPJ-SFHVURJKSA-N 0 0 498.411 2.932 20 0 JFADRN Cc1cccc(-c2nnc(N(CCO)CCc3ccccc3)n2CC2(S(C)(=O)=O)CCC2)n1 ZINC001289937829 1061628044 /nfs/dbraw/zinc/62/80/44/1061628044.db2.gz FYESUWDCIPQPDK-UHFFFAOYSA-N 0 0 469.611 2.657 20 0 JFADRN Cc1cccc(-c2nnc(N(CCO)CCOCC(F)(F)F)n2C[C@@]2(O)CCC[C@H]2C)n1 ZINC001289937601 1061628073 /nfs/dbraw/zinc/62/80/73/1061628073.db2.gz BFJCMXRSFIHZRY-QRWLVFNGSA-N 0 0 457.497 2.577 20 0 JFADRN CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001294143307 1061629407 /nfs/dbraw/zinc/62/94/07/1061629407.db2.gz NWTRFACFTAFQNN-UHFFFAOYSA-N 0 0 473.647 2.957 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCO[C@H]2CCCC[C@H]2C)CCO1 ZINC001286946039 1061630107 /nfs/dbraw/zinc/63/01/07/1061630107.db2.gz JDUGORILAQJSBW-YSZBQJHXSA-N 0 0 473.593 2.945 20 0 JFADRN CCCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001294143712 1061630255 /nfs/dbraw/zinc/63/02/55/1061630255.db2.gz YPOIGRMSDUKDLW-HXUWFJFHSA-N 0 0 479.622 2.829 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2ccccc2Cl)N(C)C)CCO1 ZINC001286946264 1061632963 /nfs/dbraw/zinc/63/29/63/1061632963.db2.gz ZJNBXORKMMWDEH-STZQEDGTSA-N 0 0 491.036 2.817 20 0 JFADRN NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cccc(Br)c1I ZINC001294147796 1061633329 /nfs/dbraw/zinc/63/33/29/1061633329.db2.gz SUNVERXHNBZGHG-GZMMTYOYSA-N 0 0 451.102 2.828 20 0 JFADRN CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccc(OCC)n2)CC1 ZINC001294149905 1061634386 /nfs/dbraw/zinc/63/43/86/1061634386.db2.gz IJHZBZXFTVHWQA-UHFFFAOYSA-N 0 0 453.595 2.845 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC[C@H]2C[C@H](F)C2)CCO1 ZINC001286946505 1061635064 /nfs/dbraw/zinc/63/50/64/1061635064.db2.gz PYPVTUTXFDVGDA-ACRUOGEOSA-N 0 0 459.566 2.953 20 0 JFADRN CC(=O)NCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001286946485 1061635153 /nfs/dbraw/zinc/63/51/53/1061635153.db2.gz OTFOJDIXOREZGZ-INIZCTEOSA-N 0 0 463.554 2.919 20 0 JFADRN CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 ZINC001294152047 1061635425 /nfs/dbraw/zinc/63/54/25/1061635425.db2.gz QYCDLZWLOUNTPC-UHFFFAOYSA-N 0 0 487.674 2.594 20 0 JFADRN Cc1cccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)NC(C)C)n1 ZINC001289944356 1061635974 /nfs/dbraw/zinc/63/59/74/1061635974.db2.gz ZMVXQKKKFHZBQO-MAUKXSAKSA-N 0 0 457.579 2.523 20 0 JFADRN Cc1cccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)n1 ZINC001289944452 1061637134 /nfs/dbraw/zinc/63/71/34/1061637134.db2.gz ZRHYXSZZCJZFGJ-SCTDSRPQSA-N 0 0 452.534 2.745 20 0 JFADRN CCCCCn1c(COCC)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(C1)CCS(=O)(=O)CC2 ZINC001294154575 1061637490 /nfs/dbraw/zinc/63/74/90/1061637490.db2.gz QURNSUDRNOBXHY-SFHVURJKSA-N 0 0 499.678 2.913 20 0 JFADRN CCCCCn1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)c(C)n1 ZINC001294155613 1061638897 /nfs/dbraw/zinc/63/88/97/1061638897.db2.gz KUOZMNSLMUCMJN-SFHVURJKSA-N 0 0 486.621 2.534 20 0 JFADRN CC(=O)NCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001286946878 1061638939 /nfs/dbraw/zinc/63/89/39/1061638939.db2.gz SKFPUCMBAXZUAJ-FUHWJXTLSA-N 0 0 477.009 2.916 20 0 JFADRN CCCCCn1cc(Cn2c(-c3cnccn3)nnc2N2CCN(C(C)=O)C[C@H]2C)c(C)n1 ZINC001294155921 1061640072 /nfs/dbraw/zinc/64/00/72/1061640072.db2.gz NXPVIDGPXKWZPV-QGZVFWFLSA-N 0 0 451.579 2.536 20 0 JFADRN Cc1cccc(-c2nnc(N3CCC(C(=O)N4CCCCC4)CC3)n2CCSCCCO)n1 ZINC001289948317 1061640383 /nfs/dbraw/zinc/64/03/83/1061640383.db2.gz WMYXOVFWOBEBOI-UHFFFAOYSA-N 0 0 472.659 2.993 20 0 JFADRN CCCCCn1cc(Cn2c(-c3cccn3C)nnc2N(C)[C@H]2CCS(=O)(=O)C2)c(C)n1 ZINC001294156763 1061640869 /nfs/dbraw/zinc/64/08/69/1061640869.db2.gz ROOMLBZPFFRHKS-IBGZPJMESA-N 0 0 459.620 2.650 20 0 JFADRN Cc1cccc(-c2nnc(N3CCC(c4ccnn4C)CC3)n2CCCCCS(C)(=O)=O)n1 ZINC001289949761 1061642542 /nfs/dbraw/zinc/64/25/42/1061642542.db2.gz ARAYUHSAOFISNK-UHFFFAOYSA-N 0 0 471.631 2.981 20 0 JFADRN Cc1cccc(-c2nnc(N3CC[C@H](CC(C)C)C3)n2CCS(=O)(=O)N2CCSCC2)n1 ZINC001289950310 1061643713 /nfs/dbraw/zinc/64/37/13/1061643713.db2.gz BOEFHPZHJSDJII-LJQANCHMSA-N 0 0 478.688 2.900 20 0 JFADRN Cc1cccc(-c2nnc(N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)n2C[C@](C)(O)CCC(C)C)n1 ZINC001289950825 1061644913 /nfs/dbraw/zinc/64/49/13/1061644913.db2.gz PMSWUEDFNUAZOP-JWQCQUIFSA-N 0 0 483.617 2.650 20 0 JFADRN CCCCCn1cc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C(F)(F)F)C2)c(C)n1 ZINC001294161997 1061645345 /nfs/dbraw/zinc/64/53/45/1061645345.db2.gz CPZPWWAXKSNGJU-GOSISDBHSA-N 0 0 483.539 2.911 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2Cc2nc(C)c(C)s2)CCO1 ZINC001286947431 1061645472 /nfs/dbraw/zinc/64/54/72/1061645472.db2.gz UYXVJEWPZUCFOR-HXUWFJFHSA-N 0 0 470.599 2.628 20 0 JFADRN Cc1cc(C)n(CC2CCN(c3nnc(-c4cccc(C)n4)n3CC(=O)NCC(F)F)CC2)n1 ZINC001289951210 1061645956 /nfs/dbraw/zinc/64/59/56/1061645956.db2.gz RUTQRYMOIBMJMX-UHFFFAOYSA-N 0 0 472.544 2.760 20 0 JFADRN Cc1cccc(-c2nnc(N3CCC(N4CCCNC4=O)CC3)n2CC[S@@](=O)C(C)(C)C)n1 ZINC001289953744 1061648402 /nfs/dbraw/zinc/64/84/02/1061648402.db2.gz GOBOLKUOODPSFH-MGBGTMOVSA-N 0 0 473.647 2.580 20 0 JFADRN CCCCCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC(C)(C)OC[C@@H]2C)c(C)n1 ZINC001294162402 1061648599 /nfs/dbraw/zinc/64/85/99/1061648599.db2.gz JPHATQZBAOFURT-PKOBYXMFSA-N 0 0 478.663 2.927 20 0 JFADRN CCCCN(C)C(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)CCCO2)CC1 ZINC001294163555 1061650501 /nfs/dbraw/zinc/65/05/01/1061650501.db2.gz AIEJBQZLDRZWMY-DEOSSOPVSA-N 0 0 460.623 2.558 20 0 JFADRN CCCCCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCOCC2(C)C)CC1 ZINC001294163635 1061651811 /nfs/dbraw/zinc/65/18/11/1061651811.db2.gz CFKCMQBEYLGNNZ-OAQYLSRUSA-N 0 0 476.666 2.763 20 0 JFADRN CCCCCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccsc2)CC1 ZINC001294163623 1061651919 /nfs/dbraw/zinc/65/19/19/1061651919.db2.gz BUQQUZZOTWAVFK-LJQANCHMSA-N 0 0 479.672 2.813 20 0 JFADRN 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Cc1cccc(-c2nnc(N3CCC(OCc4ccccc4F)CC3)n2CCNS(C)(=O)=O)n1 ZINC001289958954 1061659713 /nfs/dbraw/zinc/65/97/13/1061659713.db2.gz ACTPYZGTUFJXTM-UHFFFAOYSA-N 0 0 488.589 2.522 20 0 JFADRN Cc1cc(C(=O)NC2CCN(c3nnc(-c4cccc(C)n4)n3CCC(=O)NC(C)(C)C)CC2)no1 ZINC001289958958 1061659730 /nfs/dbraw/zinc/65/97/30/1061659730.db2.gz DUKMJWCBXAIHLS-UHFFFAOYSA-N 0 0 494.600 2.649 20 0 JFADRN CCCCCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(C)nn2C)CC1 ZINC001294165798 1061660133 /nfs/dbraw/zinc/66/01/33/1061660133.db2.gz WMVGZEODNHXGRE-UHFFFAOYSA-N 0 0 481.649 2.753 20 0 JFADRN Cc1cccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCN(C)C(=O)OC(C)(C)C)n1 ZINC001289959085 1061660830 /nfs/dbraw/zinc/66/08/30/1061660830.db2.gz CHMKJWPKAVXMKG-UHFFFAOYSA-N 0 0 478.619 2.529 20 0 JFADRN Cc1cccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C)N(C)c2ccccc2)n1 ZINC001289959242 1061661872 /nfs/dbraw/zinc/66/18/72/1061661872.db2.gz DWIZVXKQCXMSOI-QUCCMNQESA-N 0 0 454.600 2.797 20 0 JFADRN 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Cc1ccccc1[C@H]1CN(C(=O)[C@H](CCC(N)=O)NC(=O)CCCc2ccccc2)CCO1 ZINC001294201483 1061707624 /nfs/dbraw/zinc/70/76/24/1061707624.db2.gz MPFKNCXHXDZHOB-XZOQPEGZSA-N 0 0 451.567 2.668 20 0 JFADRN Cc1nc(CN2CCN(c3nnc(-c4cccc(C)n4)n3CCCNC(=O)C(C)C)CC2)oc1C ZINC001289985079 1061708637 /nfs/dbraw/zinc/70/86/37/1061708637.db2.gz GBRJHWUWOOOWNS-UHFFFAOYSA-N 0 0 480.617 2.738 20 0 JFADRN Cc1cccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2Cc2nc(C(C)C)cs2)n1 ZINC001289985136 1061709235 /nfs/dbraw/zinc/70/92/35/1061709235.db2.gz GSYMBKQGLUFVHU-INIZCTEOSA-N 0 0 475.644 2.747 20 0 JFADRN CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1nc2cc(C)ccc2[nH]1 ZINC001294205283 1061709503 /nfs/dbraw/zinc/70/95/03/1061709503.db2.gz SBHLIBNOIFXKFS-MRXNPFEDSA-N 0 0 450.561 2.727 20 0 JFADRN CC(=O)NCCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC001286955528 1061710265 /nfs/dbraw/zinc/71/02/65/1061710265.db2.gz ZOFQOCQDWRDOBN-NLFFAJNJSA-N 0 0 471.602 2.774 20 0 JFADRN 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ZINC001290008918 1061732814 /nfs/dbraw/zinc/73/28/14/1061732814.db2.gz DCWSFMGCNCOWJN-PZJWPPBQSA-N 0 0 486.617 2.848 20 0 JFADRN Cn1cc([C@@H]2[C@@H](C(=O)NCC3(c4cccc(Br)c4)CCCCC3)[C@@H](O)C(=O)N2C)cn1 ZINC001294222698 1061732862 /nfs/dbraw/zinc/73/28/62/1061732862.db2.gz AEPBNBHZWRMTKX-VAMGGRTRSA-N 0 0 489.414 2.691 20 0 JFADRN Cc1cccc(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1 ZINC001290009702 1061734540 /nfs/dbraw/zinc/73/45/40/1061734540.db2.gz PKKBPIYYZZCOJB-PVAVHDDUSA-N 0 0 452.481 2.721 20 0 JFADRN CN(C)[C@@H](CNC(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1)c1ccccc1Cl ZINC001290013380 1061736376 /nfs/dbraw/zinc/73/63/76/1061736376.db2.gz IUASMOBVDKNVMT-SFHVURJKSA-N 0 0 450.971 2.879 20 0 JFADRN Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)c1 ZINC001290015577 1061737857 /nfs/dbraw/zinc/73/78/57/1061737857.db2.gz FEYMJEUQYBLICH-LJQANCHMSA-N 0 0 490.674 2.523 20 0 JFADRN Cc1cccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC001290015242 1061737943 /nfs/dbraw/zinc/73/79/43/1061737943.db2.gz MGMDNTBDLSGHQK-PKOBYXMFSA-N 0 0 469.590 2.526 20 0 JFADRN Cc1cccc(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCS(=O)CC2)n1 ZINC001290015599 1061738052 /nfs/dbraw/zinc/73/80/52/1061738052.db2.gz GEWFFTKMVMBBMA-UHFFFAOYSA-N 0 0 452.584 2.662 20 0 JFADRN Cc1cccc(CCn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCS(C)(=O)=O)n1 ZINC001290016142 1061738440 /nfs/dbraw/zinc/73/84/40/1061738440.db2.gz XNDTYMKCGATUNE-UHFFFAOYSA-N 0 0 465.583 2.558 20 0 JFADRN Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](OC(C)(C)C)C2)n1 ZINC001290017162 1061741474 /nfs/dbraw/zinc/74/14/74/1061741474.db2.gz QWKNIXBZXIBOQV-HKUYNNGSSA-N 0 0 464.636 2.618 20 0 JFADRN Cc1ccc(NC(=O)c2ccc(I)cc2N)cc1S(=O)(=O)N(C)C ZINC001290020224 1061742547 /nfs/dbraw/zinc/74/25/47/1061742547.db2.gz CMPWSNSHKRHLLW-UHFFFAOYSA-N 0 0 459.309 2.684 20 0 JFADRN Cc1cccc(CN(Cc2ccco2)c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)N(C)C)c1 ZINC001290027659 1061745698 /nfs/dbraw/zinc/74/56/98/1061745698.db2.gz DJAHWBMLVHHAFF-FQEVSTJZSA-N 0 0 473.599 2.782 20 0 JFADRN Cc1cccc(CN(Cc2ccco2)c2nnc([C@H]3CCCOC3)n2CCNS(C)(=O)=O)c1 ZINC001290027813 1061746270 /nfs/dbraw/zinc/74/62/70/1061746270.db2.gz IYQZKTZLORYNHO-FQEVSTJZSA-N 0 0 473.599 2.830 20 0 JFADRN Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001290029058 1061747850 /nfs/dbraw/zinc/74/78/50/1061747850.db2.gz ZPSIUDSHTGIFRM-PKOBYXMFSA-N 0 0 492.646 2.739 20 0 JFADRN Cc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001290029607 1061747890 /nfs/dbraw/zinc/74/78/90/1061747890.db2.gz SXXLVYMYKABPEB-PMACEKPBSA-N 0 0 457.575 2.869 20 0 JFADRN Cc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001290029649 1061748012 /nfs/dbraw/zinc/74/80/12/1061748012.db2.gz SXXLVYMYKABPEB-UXHICEINSA-N 0 0 457.575 2.869 20 0 JFADRN Cc1ccccc1-c1cnc(NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)s1 ZINC001294235613 1061749900 /nfs/dbraw/zinc/74/99/00/1061749900.db2.gz WMRRXMXWJJIDSV-UHFFFAOYSA-N 0 0 458.565 2.855 20 0 JFADRN COc1cc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)ccc1Br ZINC001294238164 1061750545 /nfs/dbraw/zinc/75/05/45/1061750545.db2.gz GTFRIFAGWSGVSQ-RHSMWYFYSA-N 0 0 451.292 2.740 20 0 JFADRN CCCCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)(F)F ZINC001294239712 1061751163 /nfs/dbraw/zinc/75/11/63/1061751163.db2.gz JETGESPUCVIDJK-UHFFFAOYSA-N 0 0 475.541 2.543 20 0 JFADRN CCCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC1(C(N)=O)CCCC1 ZINC001294240878 1061751973 /nfs/dbraw/zinc/75/19/73/1061751973.db2.gz YINZBBNDKDSJHC-UHFFFAOYSA-N 0 0 451.575 2.864 20 0 JFADRN C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001286972150 1061752233 /nfs/dbraw/zinc/75/22/33/1061752233.db2.gz OSGHORWJFZENMN-HXUWFJFHSA-N 0 0 482.673 2.984 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CSc2ccccc21 ZINC001286972366 1061753645 /nfs/dbraw/zinc/75/36/45/1061753645.db2.gz GUIMZDAAMADJBV-BRWVUGGUSA-N 0 0 477.656 2.661 20 0 JFADRN CCCCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc2c(s1)CCCC2 ZINC001294244380 1061753765 /nfs/dbraw/zinc/75/37/65/1061753765.db2.gz FNXQIFREJKPZJO-GOSISDBHSA-N 0 0 496.703 2.815 20 0 JFADRN C[C@H](NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001294245085 1061753787 /nfs/dbraw/zinc/75/37/87/1061753787.db2.gz CCYXZNOAZBLVPC-SKOKVVANSA-N 0 0 459.543 2.668 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccccc1)C1CC1 ZINC001286972431 1061754327 /nfs/dbraw/zinc/75/43/27/1061754327.db2.gz HQCZLTUSXDIBOX-DBXWQHBBSA-N 0 0 473.643 2.966 20 0 JFADRN C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CCCNc2ccccn2)CC1 ZINC001286972428 1061754349 /nfs/dbraw/zinc/75/43/49/1061754349.db2.gz RPRDJVOBMNYESN-HXUWFJFHSA-N 0 0 468.650 2.606 20 0 JFADRN Cc1cccc(N2CCN(c3nnc(-c4cccnc4)n3CCS(=O)(=O)NC(C)C)CC2)c1C ZINC001290037599 1061754447 /nfs/dbraw/zinc/75/44/47/1061754447.db2.gz OMYYRQAIFUFNAV-UHFFFAOYSA-N 0 0 483.642 2.611 20 0 JFADRN Cc1cccc(CCn2c(CN3CCCC3=O)nnc2N2CCC(NC(=O)C(C)C)CC2)c1 ZINC001290037548 1061754499 /nfs/dbraw/zinc/75/44/99/1061754499.db2.gz QJYKSRAPKSUUPW-UHFFFAOYSA-N 0 0 452.603 2.693 20 0 JFADRN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CC(OCCCOC)C1 ZINC001294248400 1061755433 /nfs/dbraw/zinc/75/54/33/1061755433.db2.gz PEPPBRUZVDZVEE-UHFFFAOYSA-N 0 0 452.507 2.759 20 0 JFADRN C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2C[C@@](C)(O)c2ccsc2)CC1 ZINC001286972936 1061755834 /nfs/dbraw/zinc/75/58/34/1061755834.db2.gz XBAKDYUIKFHWDG-HOYKHHGWSA-N 0 0 474.675 2.678 20 0 JFADRN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001290040786 1061756514 /nfs/dbraw/zinc/75/65/14/1061756514.db2.gz QMKGROPZWFQNSS-CYBMUJFWSA-N 0 0 451.932 2.956 20 0 JFADRN C[C@H](C(=O)NC1CCCC1)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001286972908 1061757087 /nfs/dbraw/zinc/75/70/87/1061757087.db2.gz KTHMVKWOQDPYNW-UNVFRBQDSA-N 0 0 474.694 2.987 20 0 JFADRN CCCCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC1 ZINC001294251826 1061757185 /nfs/dbraw/zinc/75/71/85/1061757185.db2.gz BDGGDJVPDPRLGK-MOPGFXCFSA-N 0 0 467.611 2.876 20 0 JFADRN CCCCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCSC1 ZINC001294252243 1061757272 /nfs/dbraw/zinc/75/72/72/1061757272.db2.gz JBYVQOZBFDJMIJ-JPYJTQIMSA-N 0 0 499.678 2.707 20 0 JFADRN C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(CC(C)(C)C)n2CC[C@H]2CCCCO2)CC1 ZINC001286973005 1061757931 /nfs/dbraw/zinc/75/79/31/1061757931.db2.gz YKXUOIAMQLAXDE-NHCUHLMSSA-N 0 0 460.667 2.959 20 0 JFADRN Cc1cccc(N2CCN(c3nnc(CN4CCCC4=O)n3CCN(C)CC(F)(F)F)CC2)c1 ZINC001290041825 1061758274 /nfs/dbraw/zinc/75/82/74/1061758274.db2.gz QWJYNCZUQIKUBT-UHFFFAOYSA-N 0 0 479.551 2.530 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(F)(F)F ZINC001286973077 1061758330 /nfs/dbraw/zinc/75/83/30/1061758330.db2.gz MCVOBUHFQKBABJ-ZJUUUORDSA-N 0 0 472.331 2.866 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(F)(F)F ZINC001286973074 1061758400 /nfs/dbraw/zinc/75/84/00/1061758400.db2.gz MCVOBUHFQKBABJ-NXEZZACHSA-N 0 0 472.331 2.866 20 0 JFADRN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc3c(ncnc3N(C)C)n2C)cc1 ZINC001290042144 1061758924 /nfs/dbraw/zinc/75/89/24/1061758924.db2.gz AUXHMUKMLAJPSF-OAHLLOKOSA-N 0 0 458.588 2.556 20 0 JFADRN CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC001294253880 1061758998 /nfs/dbraw/zinc/75/89/98/1061758998.db2.gz JRPRYWZOGUIGOD-RCCFBDPRSA-N 0 0 459.033 2.760 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccccc1OC(F)F)S(C)(=O)=O ZINC001286973081 1061759168 /nfs/dbraw/zinc/75/91/68/1061759168.db2.gz MDAWTSKDCGRFQR-JKSUJKDBSA-N 0 0 499.584 2.616 20 0 JFADRN CCCCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2cc(C)nc21 ZINC001294254790 1061760295 /nfs/dbraw/zinc/76/02/95/1061760295.db2.gz TTXRUTIIALPKEJ-RTBURBONSA-N 0 0 464.636 2.516 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(C)COC1 ZINC001286973307 1061760253 /nfs/dbraw/zinc/76/02/53/1061760253.db2.gz PKMRQTWBZFRJFT-KGLIPLIRSA-N 0 0 458.531 2.841 20 0 JFADRN CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)[C@H](CC(=O)N1CCS[C@@H]3CCCC[C@@H]31)CS2(=O)=O ZINC001294255208 1061760656 /nfs/dbraw/zinc/76/06/56/1061760656.db2.gz OUTGAAALRQDNDV-SFFUCWETSA-N 0 0 458.646 2.543 20 0 JFADRN Cc1cccc(NC2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H]3CCOC[C@@H]3C)CC2)c1 ZINC001290044225 1061760930 /nfs/dbraw/zinc/76/09/30/1061760930.db2.gz HMSWKWVPVAFZGP-UFYCRDLUSA-N 0 0 490.674 2.950 20 0 JFADRN Cc1nnsc1Cn1c(COc2cccc(C)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001290044764 1061761438 /nfs/dbraw/zinc/76/14/38/1061761438.db2.gz OWOHURRTCAUSMH-HZPDHXFCSA-N 0 0 464.617 2.632 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1c[nH]c2ccc(F)cc12)S(C)(=O)=O ZINC001286973427 1061761534 /nfs/dbraw/zinc/76/15/34/1061761534.db2.gz QZIJPOYLRUISRS-JKSUJKDBSA-N 0 0 490.605 2.635 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1nccs1)S(C)(=O)=O ZINC001286973477 1061762020 /nfs/dbraw/zinc/76/20/20/1061762020.db2.gz RTZHWHPKRIFLMT-NWDGAFQWSA-N 0 0 487.449 2.993 20 0 JFADRN CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001294260517 1061762251 /nfs/dbraw/zinc/76/22/51/1061762251.db2.gz KXFVTFUZSNBOKW-UHFFFAOYSA-N 0 0 476.528 2.618 20 0 JFADRN C[C@H](C(=O)NC1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CCn2cc(Cl)cn2)CC1 ZINC001286973481 1061762926 /nfs/dbraw/zinc/76/29/26/1061762926.db2.gz RYBYMCMFPQFFPA-QGZVFWFLSA-N 0 0 477.057 2.695 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1cnn(C)c1 ZINC001286973603 1061763313 /nfs/dbraw/zinc/76/33/13/1061763313.db2.gz UBJNMJNAVMQTCR-STQMWFEESA-N 0 0 499.410 2.886 20 0 JFADRN CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001294261348 1061763708 /nfs/dbraw/zinc/76/37/08/1061763708.db2.gz WCKJAYWYGGEVMR-MRXNPFEDSA-N 0 0 451.593 2.528 20 0 JFADRN CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001294261290 1061763759 /nfs/dbraw/zinc/76/37/59/1061763759.db2.gz DFCZHCGAMYQPHQ-GOSISDBHSA-N 0 0 451.579 2.852 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)[C@@H]3CCSC3)n2CCS(=O)(=O)CC2CC2)c1 ZINC001290046064 1061764241 /nfs/dbraw/zinc/76/42/41/1061764241.db2.gz CGRDHLCPPHFPKY-GOSISDBHSA-N 0 0 450.630 2.932 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@](C)(O)c1ccccc1 ZINC001286974064 1061766160 /nfs/dbraw/zinc/76/61/60/1061766160.db2.gz AEHQVEUHDBIPOG-RRQZXNHTSA-N 0 0 496.637 2.682 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(Cc2ccsc2)n1CC1(S(C)(=O)=O)CCCC1)S(C)(=O)=O ZINC001286974109 1061766201 /nfs/dbraw/zinc/76/62/01/1061766201.db2.gz ATIMLNUHDPJJBK-JKSUJKDBSA-N 0 0 488.701 2.546 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2CC(=O)NCC(F)(F)F)c1 ZINC001290048793 1061768967 /nfs/dbraw/zinc/76/89/67/1061768967.db2.gz XVUWPOUSGDOZKC-UHFFFAOYSA-N 0 0 485.898 2.867 20 0 JFADRN NC(=O)[C@H]1CCCN(C(=O)c2c(F)c(Br)ccc2I)C1 ZINC001290049452 1061768989 /nfs/dbraw/zinc/76/89/89/1061768989.db2.gz AJFUNOXAULCARA-ZETCQYMHSA-N 0 0 455.065 2.530 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1Cn1cccn1 ZINC001286974569 1061769926 /nfs/dbraw/zinc/76/99/26/1061769926.db2.gz HGOPRIOLUBERQP-XQBPLPMBSA-N 0 0 486.642 2.723 20 0 JFADRN CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(Cc2nc(COC)no2)CC1 ZINC001294278860 1061770036 /nfs/dbraw/zinc/77/00/36/1061770036.db2.gz ANNSOLIFNIPTPU-UHFFFAOYSA-N 0 0 461.517 2.799 20 0 JFADRN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[C@@H](C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001290053147 1061770900 /nfs/dbraw/zinc/77/09/00/1061770900.db2.gz AMXPAXJKBDSMDI-RBUKOAKNSA-N 0 0 450.601 2.894 20 0 JFADRN Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)N1CCN(S(=O)(=O)c3cc(C)ccc3C)CC1)C2 ZINC001290053154 1061771024 /nfs/dbraw/zinc/77/10/24/1061771024.db2.gz ARLPKQWEWOZHEM-DEOSSOPVSA-N 0 0 456.564 2.617 20 0 JFADRN CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 ZINC001294279311 1061771106 /nfs/dbraw/zinc/77/11/06/1061771106.db2.gz CRLZPRAFHIBNLT-HXUWFJFHSA-N 0 0 475.615 2.685 20 0 JFADRN CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC001294280347 1061771571 /nfs/dbraw/zinc/77/15/71/1061771571.db2.gz SHRPRHANCLNHLB-UHFFFAOYSA-N 0 0 488.583 2.888 20 0 JFADRN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)ccc3-n3cncn3)CC2)c1 ZINC001290053498 1061771671 /nfs/dbraw/zinc/77/16/71/1061771671.db2.gz GKFRRBNPXYWWSS-UHFFFAOYSA-N 0 0 459.959 2.684 20 0 JFADRN Cc1cccc(OCc2nnc(N3C[C@@H]4CCC(=O)N[C@@H]4C3)n2CCCOC(F)(F)F)c1 ZINC001290053913 1061772589 /nfs/dbraw/zinc/77/25/89/1061772589.db2.gz HBBJPFRKZQQEBQ-DOTOQJQBSA-N 0 0 453.465 2.807 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1Cc1nncn1-c1ccccc1 ZINC001286975038 1061772557 /nfs/dbraw/zinc/77/25/57/1061772557.db2.gz AKVXCPBFHDQDNZ-SJORKVTESA-N 0 0 457.604 2.823 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1Cc1cccc(N2CCCC2=O)c1 ZINC001286975043 1061772869 /nfs/dbraw/zinc/77/28/69/1061772869.db2.gz AOFPAKUVJHBNNZ-IRXDYDNUSA-N 0 0 470.599 2.706 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCOC2)n1CCc1ccn(-c2ccc(F)cc2)n1 ZINC001286975092 1061773377 /nfs/dbraw/zinc/77/33/77/1061773377.db2.gz LANIXVFMBIBNOP-KURKYZTESA-N 0 0 490.605 2.607 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001286975142 1061773838 /nfs/dbraw/zinc/77/38/38/1061773838.db2.gz LDTVPDQOVBDAHG-AXVVYFOYSA-N 0 0 484.066 2.996 20 0 JFADRN CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001294282560 1061773863 /nfs/dbraw/zinc/77/38/63/1061773863.db2.gz YSTNQGDGKJHCPK-IBGZPJMESA-N 0 0 456.595 2.967 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)CCC3CCOCC3)n2CC2(S(C)(=O)=O)CC2)c1 ZINC001290054377 1061774070 /nfs/dbraw/zinc/77/40/70/1061774070.db2.gz FIBPYTPKENDRFV-UHFFFAOYSA-N 0 0 462.616 2.996 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)CCn3cccn3)n2CCN2CCOCC2(C)C)c1 ZINC001290054416 1061774238 /nfs/dbraw/zinc/77/42/38/1061774238.db2.gz GSTQOTUQNOYUGB-UHFFFAOYSA-N 0 0 453.591 2.609 20 0 JFADRN Cc1cccc(OCc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@@H]2CCS(=O)(=O)C2)c1 ZINC001290056156 1061775835 /nfs/dbraw/zinc/77/58/35/1061775835.db2.gz VTCUYPJLPCYORD-BZSNNMDCSA-N 0 0 450.630 2.930 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccccn2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001286975359 1061776500 /nfs/dbraw/zinc/77/65/00/1061776500.db2.gz LVLBRKAMBYYSNH-KGVIQGDOSA-N 0 0 488.633 2.964 20 0 JFADRN O=C(COc1ccccc1NC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O)N1CCOCC1 ZINC001294291921 1061776887 /nfs/dbraw/zinc/77/68/87/1061776887.db2.gz DSJBQDNMJVQBKF-GOSISDBHSA-N 0 0 457.914 2.569 20 0 JFADRN Cc1cc(NC(=O)CSCC(=O)N[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)no1 ZINC001294293034 1061777897 /nfs/dbraw/zinc/77/78/97/1061777897.db2.gz DIZYMXGYWKWDPY-CYBMUJFWSA-N 0 0 456.446 2.595 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccccc2F)n1CCc1ccncc1 ZINC001286975813 1061778945 /nfs/dbraw/zinc/77/89/45/1061778945.db2.gz HCQIFTHMKLSNHV-IRXDYDNUSA-N 0 0 461.563 2.892 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@H](C(C)C)C3)n2CC2(O)CCS(=O)(=O)CC2)c1 ZINC001290059573 1061779835 /nfs/dbraw/zinc/77/98/35/1061779835.db2.gz LOXYDTNMURVQAL-IBGZPJMESA-N 0 0 462.616 2.588 20 0 JFADRN CCCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3ccco3)C2)c(C)n1 ZINC001294295252 1061780244 /nfs/dbraw/zinc/78/02/44/1061780244.db2.gz HAHYSZPNRIVDSP-HXUWFJFHSA-N 0 0 455.563 2.941 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001290059826 1061780407 /nfs/dbraw/zinc/78/04/07/1061780407.db2.gz NZTIDTDHHNDUOJ-VGSWGCGISA-N 0 0 480.535 2.751 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1Cc1ncn(-c2ccccc2)n1 ZINC001286975997 1061780549 /nfs/dbraw/zinc/78/05/49/1061780549.db2.gz NFIVCXYNOIBQOY-IAGOWNOFSA-N 0 0 485.639 2.817 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CCn2cncn2)c1 ZINC001290060438 1061780895 /nfs/dbraw/zinc/78/08/95/1061780895.db2.gz VBDXZHAKQXEBSD-FQEVSTJZSA-N 0 0 480.617 2.834 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@H]2CCC(=O)N2)c1 ZINC001290060262 1061780933 /nfs/dbraw/zinc/78/09/33/1061780933.db2.gz SBHWDDCTVZGRSV-HXUWFJFHSA-N 0 0 468.602 2.527 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccsc1Br ZINC001286976104 1061781073 /nfs/dbraw/zinc/78/10/73/1061781073.db2.gz NWGGXLASYNSRMZ-MBNYWOFBSA-N 0 0 477.450 2.912 20 0 JFADRN CCCCn1c(N2CCN(C(=O)Cc3ccccc3F)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001294295900 1061781660 /nfs/dbraw/zinc/78/16/60/1061781660.db2.gz FYPMGAZIRZMXOY-XMMPIXPASA-N 0 0 459.566 2.761 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCn2ccnn2)CC1 ZINC001286976198 1061782122 /nfs/dbraw/zinc/78/21/22/1061782122.db2.gz IMMUPHWDICAGHG-UHFFFAOYSA-N 0 0 456.982 2.975 20 0 JFADRN CCCCn1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)c(C)n1 ZINC001294296126 1061782105 /nfs/dbraw/zinc/78/21/05/1061782105.db2.gz NEMZRVMYUDGVDB-OAQYLSRUSA-N 0 0 498.676 2.999 20 0 JFADRN CCCCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C)[C@H]2CC)c(C)n1 ZINC001294296188 1061782152 /nfs/dbraw/zinc/78/21/52/1061782152.db2.gz NSULCGPBFSSFKG-VDZJLULYSA-N 0 0 451.641 2.866 20 0 JFADRN CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC001294296215 1061782279 /nfs/dbraw/zinc/78/22/79/1061782279.db2.gz OEOYKBNBKYECMS-SXLOBPIMSA-N 0 0 469.652 2.633 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cnccn2)n1CCc1nc(C(F)(F)F)cs1)S(C)(=O)=O ZINC001286976278 1061782488 /nfs/dbraw/zinc/78/24/88/1061782488.db2.gz CTGDPJSIQDBMNM-NWDGAFQWSA-N 0 0 489.549 2.711 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(=O)NCC(F)(F)F)CC1 ZINC001286976276 1061782591 /nfs/dbraw/zinc/78/25/91/1061782591.db2.gz CYCFKGSNDMAMES-UHFFFAOYSA-N 0 0 491.518 2.800 20 0 JFADRN CCCCn1cc(Cn2c(-c3ccccn3)nnc2N2CCC(NS(=O)(=O)CC)CC2)c(C)n1 ZINC001294296385 1061782854 /nfs/dbraw/zinc/78/28/54/1061782854.db2.gz UQQKRRDQVDIYPN-UHFFFAOYSA-N 0 0 486.646 2.602 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@]4(CCS(=O)(=O)C4)C3)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001290062389 1061783419 /nfs/dbraw/zinc/78/34/19/1061783419.db2.gz GYGSAEVLLWFHFJ-JIYROHSKSA-N 0 0 494.683 2.728 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)NCc1ccco1 ZINC001286976490 1061784500 /nfs/dbraw/zinc/78/45/00/1061784500.db2.gz OXTJOBWHHXPLAK-CVEARBPZSA-N 0 0 494.017 2.690 20 0 JFADRN CCCCn1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC)c(O)c2)c(C)n1 ZINC001294296923 1061784923 /nfs/dbraw/zinc/78/49/23/1061784923.db2.gz DCALZBDIZAXCEH-LJQANCHMSA-N 0 0 467.574 2.933 20 0 JFADRN CCCCn1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H]2CCOC2)c(C)n1 ZINC001294297506 1061785568 /nfs/dbraw/zinc/78/55/68/1061785568.db2.gz XHPWTZYDISYEMF-GOSISDBHSA-N 0 0 452.563 2.751 20 0 JFADRN Cc1ccoc1Cn1c(COc2cccc(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001290062977 1061786650 /nfs/dbraw/zinc/78/66/50/1061786650.db2.gz SCGAQISAVFFSGB-UHFFFAOYSA-N 0 0 459.572 2.633 20 0 JFADRN CCCCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@H](C)CC[C@@H]2C)c(C)n1 ZINC001294297859 1061786761 /nfs/dbraw/zinc/78/67/61/1061786761.db2.gz IKPWIGWUQYQYSW-LQWHRVPQSA-N 0 0 493.678 2.589 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC001286976782 1061787235 /nfs/dbraw/zinc/78/72/35/1061787235.db2.gz DORNFFWYXYQDCR-JYBIWHBTSA-N 0 0 495.669 2.540 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2C[C@@H]2COCCO2)c1 ZINC001290063066 1061787266 /nfs/dbraw/zinc/78/72/66/1061787266.db2.gz KMERTUNRVYKSGO-PZJWPPBQSA-N 0 0 487.601 2.932 20 0 JFADRN Cc1cc([C@](C)(O)Cn2c(COc3cccc(C)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)c(C)o1 ZINC001290063155 1061787286 /nfs/dbraw/zinc/78/72/86/1061787286.db2.gz VGFITHIGMCOHFI-GBXCKJPGSA-N 0 0 488.610 2.906 20 0 JFADRN CCCCn1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(C)n1 ZINC001294298462 1061787275 /nfs/dbraw/zinc/78/72/75/1061787275.db2.gz LRUCFWYKQKCKRS-RTBURBONSA-N 0 0 486.621 2.686 20 0 JFADRN CCCCn1cc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(CNS(C)(=O)=O)CC2)c(C)n1 ZINC001294299421 1061787756 /nfs/dbraw/zinc/78/77/56/1061787756.db2.gz QHZSHEOYRWDUKH-OAQYLSRUSA-N 0 0 493.678 2.639 20 0 JFADRN CCCCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnc(C)s2)c(C)n1 ZINC001294299726 1061787828 /nfs/dbraw/zinc/78/78/28/1061787828.db2.gz SDUVQKCUTMALQF-QGZVFWFLSA-N 0 0 477.660 2.935 20 0 JFADRN CCCCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@H](CC)C2)c(C)n1 ZINC001294300135 1061788252 /nfs/dbraw/zinc/78/82/52/1061788252.db2.gz WYIALWZDRWQXNB-FPOVZHCZSA-N 0 0 493.678 2.591 20 0 JFADRN CCCCn1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@H](CC)C2)c(C)n1 ZINC001294300136 1061788274 /nfs/dbraw/zinc/78/82/74/1061788274.db2.gz WYIALWZDRWQXNB-PZJWPPBQSA-N 0 0 493.678 2.591 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1nccn1C(F)F ZINC001286976990 1061788332 /nfs/dbraw/zinc/78/83/32/1061788332.db2.gz QEZONMAILALUFY-KEYYUXOJSA-N 0 0 496.540 2.688 20 0 JFADRN CCCCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C)[C@H]2CC)c(C)n1 ZINC001294300144 1061788793 /nfs/dbraw/zinc/78/87/93/1061788793.db2.gz XAPYSCPHRJLNCL-WMQCIHAUSA-N 0 0 493.678 2.589 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(CC2CCCC2)n1CC1(S(C)(=O)=O)CCCC1)S(C)(=O)=O ZINC001286977014 1061788777 /nfs/dbraw/zinc/78/87/77/1061788777.db2.gz KSEINCGPQQHPMC-DLBZAZTESA-N 0 0 474.693 2.626 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CCCn1cnc2ccccc21 ZINC001286977134 1061789203 /nfs/dbraw/zinc/78/92/03/1061789203.db2.gz LQMNXFCCCXCMJH-MBOZVWFJSA-N 0 0 460.604 2.827 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1 ZINC001286977137 1061789343 /nfs/dbraw/zinc/78/93/43/1061789343.db2.gz LRICZASWXHCUIK-IJEWVQPXSA-N 0 0 486.063 2.760 20 0 JFADRN 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CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)C2(c3ccccc3)CCN(S(=O)(=O)CC)CC2)C1 ZINC001294305972 1061792719 /nfs/dbraw/zinc/79/27/19/1061792719.db2.gz UPFZWHSPJUOMEG-IKDMDFKBSA-N 0 0 454.658 2.566 20 0 JFADRN CCCCn1cc(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)c(C)n1 ZINC001294305535 1061792895 /nfs/dbraw/zinc/79/28/95/1061792895.db2.gz XSJYISXZSXFMPC-UHFFFAOYSA-N 0 0 486.665 2.794 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOC2CCCCCC2)CC1 ZINC001286977765 1061793339 /nfs/dbraw/zinc/79/33/39/1061793339.db2.gz OKDOORGPROBBIO-LJQANCHMSA-N 0 0 495.690 2.614 20 0 JFADRN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C2(c3ccccc3)CCN(S(=O)(=O)CC)CC2)C1 ZINC001294305984 1061793600 /nfs/dbraw/zinc/79/36/00/1061793600.db2.gz UPFZWHSPJUOMEG-SGHJWQDXSA-N 0 0 454.658 2.566 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(F)F)c1 ZINC001286977771 1061793754 /nfs/dbraw/zinc/79/37/54/1061793754.db2.gz GRIIDICHDKCEAM-KBPBESRZSA-N 0 0 452.531 2.922 20 0 JFADRN 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CC(C)c1ccccc1OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1 ZINC001287166993 1062578691 /nfs/dbraw/zinc/57/86/91/1062578691.db2.gz PPRSUJCWBSLKNF-NRFANRHFSA-N 0 0 477.631 2.660 20 0 JFADRN CCCNC(=O)CCn1c(N2CCC[C@H](CC(N)=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001294871630 1062578633 /nfs/dbraw/zinc/57/86/33/1062578633.db2.gz IKUHYYPYFDDMFV-LJQANCHMSA-N 0 0 452.603 2.756 20 0 JFADRN CC(C)c1ccccc1OCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001287166998 1062579303 /nfs/dbraw/zinc/57/93/03/1062579303.db2.gz PQQQMVGSHLKIHF-SFHVURJKSA-N 0 0 477.569 2.830 20 0 JFADRN CC(C)c1ccccc1OCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001287167171 1062579383 /nfs/dbraw/zinc/57/93/83/1062579383.db2.gz SAJCDOLESRFCSQ-SFHVURJKSA-N 0 0 477.631 2.586 20 0 JFADRN CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CCC[C@H](Nc3ccccc3)C2)C1 ZINC001294872255 1062579767 /nfs/dbraw/zinc/57/97/67/1062579767.db2.gz LLTYDPYEXMEEKB-OALUTQOASA-N 0 0 451.589 2.514 20 0 JFADRN Cc1cccc(C(=O)N2CCCN(C(=O)CN3CCC(NC(=O)OC(C)(C)C)CC3)CC2)c1 ZINC001290669452 1062579895 /nfs/dbraw/zinc/57/98/95/1062579895.db2.gz PCDICINMBQBDTP-UHFFFAOYSA-N 0 0 458.603 2.659 20 0 JFADRN CC(C)c1ccccc1OCCn1c([C@H]2CCCO2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001287167538 1062580159 /nfs/dbraw/zinc/58/01/59/1062580159.db2.gz SICPTXRUDAONDS-OAQYLSRUSA-N 0 0 457.575 2.803 20 0 JFADRN CCCNC(=O)CCn1c(N2CCN(Cc3ccc(OC)c(F)c3)CC2)nnc1C(C)(C)C ZINC001294872339 1062580486 /nfs/dbraw/zinc/58/04/86/1062580486.db2.gz PTOGHGFUYHOBPZ-UHFFFAOYSA-N 0 0 460.598 2.962 20 0 JFADRN Cc1cccc(C(=O)N2CCCN(C(=O)c3cnc(CNC(=O)OC(C)(C)C)nc3)CC2)c1 ZINC001290672501 1062581419 /nfs/dbraw/zinc/58/14/19/1062581419.db2.gz FQMWNXSSOUQYQV-UHFFFAOYSA-N 0 0 453.543 2.798 20 0 JFADRN Cc1nnc([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3cccnc3OCC(F)F)CCO2)o1 ZINC001290672385 1062581470 /nfs/dbraw/zinc/58/14/70/1062581470.db2.gz FEVYJDFDJNDQQX-OAHLLOKOSA-N 0 0 463.489 2.932 20 0 JFADRN 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Cc1nc2n(n1)CCN(c1nnc(-c3cc(F)ccc3Br)n1CCSCCCO)C2 ZINC001290673868 1062583933 /nfs/dbraw/zinc/58/39/33/1062583933.db2.gz LGDXRPMSTQBACM-UHFFFAOYSA-N 0 0 496.410 2.882 20 0 JFADRN CC(C)c1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CCSC2)cs1 ZINC001287169726 1062583966 /nfs/dbraw/zinc/58/39/66/1062583966.db2.gz NIJAYUXBRVWWCQ-UKRRQHHQSA-N 0 0 458.679 2.653 20 0 JFADRN CC(C)c1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CCSC2)cs1 ZINC001287169725 1062584042 /nfs/dbraw/zinc/58/40/42/1062584042.db2.gz NIJAYUXBRVWWCQ-HIFRSBDPSA-N 0 0 458.679 2.653 20 0 JFADRN CCCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC001294874277 1062584309 /nfs/dbraw/zinc/58/43/09/1062584309.db2.gz OHNSBNNZYGVAON-LJQANCHMSA-N 0 0 484.601 2.835 20 0 JFADRN Cc1nnc([C@H]2CN(c3nnc(-c4cccnc4)n3CCSCC(F)(F)F)CCO2)o1 ZINC001290674658 1062584354 /nfs/dbraw/zinc/58/43/54/1062584354.db2.gz OPXVCWKLMFQCBC-CQSZACIVSA-N 0 0 455.466 2.905 20 0 JFADRN Cc1nnc([C@H]2CN(c3nnc(-c4cc(Br)cn4C)n3C[C@@](C)(O)C(C)C)CCO2)o1 ZINC001290674235 1062584373 /nfs/dbraw/zinc/58/43/73/1062584373.db2.gz NZZLINALNFWFRG-OXQOHEQNSA-N 0 0 494.394 2.722 20 0 JFADRN CCCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001294874681 1062584445 /nfs/dbraw/zinc/58/44/45/1062584445.db2.gz SCYXHHVTVXBJHQ-FQEVSTJZSA-N 0 0 468.602 2.805 20 0 JFADRN CCCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(COc2ccccc2)CC1 ZINC001294875178 1062584782 /nfs/dbraw/zinc/58/47/82/1062584782.db2.gz ZPIONWCPSDNQQW-UHFFFAOYSA-N 0 0 477.569 2.747 20 0 JFADRN CC(C)c1nc([C@@H]2CN(c3nnc(C(=O)N4CCCC4)n3CCCOC(F)(F)F)CCO2)no1 ZINC001287170030 1062585108 /nfs/dbraw/zinc/58/51/08/1062585108.db2.gz YHNUYCPLQXVSNO-AWEZNQCLSA-N 0 0 487.483 2.525 20 0 JFADRN CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)CC1 ZINC001290675551 1062585325 /nfs/dbraw/zinc/58/53/25/1062585325.db2.gz UCYWLNKTGATEOE-OAHLLOKOSA-N 0 0 451.999 2.933 20 0 JFADRN CCCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 ZINC001294875598 1062585323 /nfs/dbraw/zinc/58/53/23/1062585323.db2.gz BMMIPNLDMMSSEQ-IBGZPJMESA-N 0 0 496.591 2.817 20 0 JFADRN CC(C)c1nc([C@@H]2CN(c3nnc(-c4ccccc4)n3CC(=O)NCC(F)(F)F)CCO2)no1 ZINC001287170255 1062585639 /nfs/dbraw/zinc/58/56/39/1062585639.db2.gz PXENMUHDCSUENT-HNNXBMFYSA-N 0 0 479.463 2.708 20 0 JFADRN CC(C)c1nc([C@H]2CCCN(c3nnc(Cc4ccsc4)n3CCS(=O)(=O)N(C)C)C2)no1 ZINC001287170146 1062585656 /nfs/dbraw/zinc/58/56/56/1062585656.db2.gz YLEWJAFMBPMFQP-KRWDZBQOSA-N 0 0 493.659 2.712 20 0 JFADRN CCCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001294875816 1062585965 /nfs/dbraw/zinc/58/59/65/1062585965.db2.gz HHJSBEJKRRSUJJ-HNNXBMFYSA-N 0 0 454.506 2.747 20 0 JFADRN Cc1nnc([C@@H]2CN(c3nnc(CCc4ccccc4)n3CCC(=O)NC(C)(C)C)CCO2)o1 ZINC001290675998 1062586328 /nfs/dbraw/zinc/58/63/28/1062586328.db2.gz WLNZAMPHEIBDOB-IBGZPJMESA-N 0 0 467.574 2.637 20 0 JFADRN CCCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](COC)C1 ZINC001294875943 1062586489 /nfs/dbraw/zinc/58/64/89/1062586489.db2.gz JWIZGSDTQVKKCH-GOSISDBHSA-N 0 0 470.599 2.755 20 0 JFADRN Cc1nc2n(n1)CCN(c1nnc(-c3ccc(OCCC(C)C)cc3)n1CC(=O)NC(C)C)C2 ZINC001290676117 1062586547 /nfs/dbraw/zinc/58/65/47/1062586547.db2.gz YFSQQZXQTOOJRO-UHFFFAOYSA-N 0 0 466.590 2.815 20 0 JFADRN Cc1nc2n(n1)CCN(c1nnc(CC(C)C)n1Cc1ccc(OCC(F)(F)F)nc1)C2 ZINC001290676247 1062587002 /nfs/dbraw/zinc/58/70/02/1062587002.db2.gz ZWELMINUZMGUSW-UHFFFAOYSA-N 0 0 450.469 2.781 20 0 JFADRN CNC(=O)Cc1ccc(NC(=O)c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1 ZINC001290676520 1062587059 /nfs/dbraw/zinc/58/70/59/1062587059.db2.gz UFLMWEXLYFDOFK-UHFFFAOYSA-N 0 0 453.543 2.680 20 0 JFADRN CCCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001294875954 1062587123 /nfs/dbraw/zinc/58/71/23/1062587123.db2.gz JZAAVLIPLCMPHE-ZWKOTPCHSA-N 0 0 474.581 2.777 20 0 JFADRN CC(C)c1nc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCC2CC2)cs1 ZINC001287170770 1062587158 /nfs/dbraw/zinc/58/71/58/1062587158.db2.gz JVRYCPAJXAFLTN-SFHVURJKSA-N 0 0 482.676 2.670 20 0 JFADRN CC(C)c1csc(Cn2c([C@@H]3CCCCO3)nnc2N2CCCN(S(C)(=O)=O)CC2)n1 ZINC001287170795 1062587218 /nfs/dbraw/zinc/58/72/18/1062587218.db2.gz WHHNAMJTHBXYCN-KRWDZBQOSA-N 0 0 468.649 2.620 20 0 JFADRN CCCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001294876030 1062587513 /nfs/dbraw/zinc/58/75/13/1062587513.db2.gz LRHTZFPESGMEHP-LEWJYISDSA-N 0 0 452.603 2.937 20 0 JFADRN Cc1nnc([C@@H]2CN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCCNC(=O)C(C)C)CCO2)o1 ZINC001290678358 1062587532 /nfs/dbraw/zinc/58/75/32/1062587532.db2.gz CZUPJMPLEKUTQL-CEXWTWQISA-N 0 0 489.621 2.628 20 0 JFADRN CCCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001294876182 1062588196 /nfs/dbraw/zinc/58/81/96/1062588196.db2.gz OMVAHBJHAFIWDL-KRWDZBQOSA-N 0 0 472.565 2.532 20 0 JFADRN CCCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001294876183 1062588242 /nfs/dbraw/zinc/58/82/42/1062588242.db2.gz OMVAHBJHAFIWDL-QGZVFWFLSA-N 0 0 472.565 2.532 20 0 JFADRN Cc1nnc(CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@@H](C)[C@@H](F)C2)s1 ZINC001290678731 1062588323 /nfs/dbraw/zinc/58/83/23/1062588323.db2.gz IQIFNZOODNMNQH-DYVFJYSZSA-N 0 0 464.592 2.936 20 0 JFADRN CCCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001294877685 1062589115 /nfs/dbraw/zinc/58/91/15/1062589115.db2.gz UCVAFJRSXQJIPD-CJNGLKHVSA-N 0 0 459.444 2.851 20 0 JFADRN CCCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001294877164 1062589135 /nfs/dbraw/zinc/58/91/35/1062589135.db2.gz TYGISFBRHJGOBW-VDGAXYAQSA-N 0 0 477.993 2.982 20 0 JFADRN Cc1nnc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC([C@@H]3CC3(F)F)CC2)s1 ZINC001290679192 1062589230 /nfs/dbraw/zinc/58/92/30/1062589230.db2.gz SMQGCTIRNOGREH-DOMZBBRYSA-N 0 0 489.618 2.553 20 0 JFADRN CC(C)c1nc([C@H]2CN(c3nnc(-c4cccn4C)n3CCNC(=O)C(C)(C)C)CCO2)no1 ZINC001287171497 1062589225 /nfs/dbraw/zinc/58/92/25/1062589225.db2.gz YXEPOCVSMRFVKL-QGZVFWFLSA-N 0 0 470.578 2.530 20 0 JFADRN 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Cc1nnc(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[C@H](S(C)(=O)=O)C2)s1 ZINC001290679604 1062591183 /nfs/dbraw/zinc/59/11/83/1062591183.db2.gz ZYCLLJJNFUKNAG-ZBFHGGJFSA-N 0 0 494.618 2.973 20 0 JFADRN CC(C)c1nnc([C@H]2CN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC(C)(C)C3CC3)CCO2)o1 ZINC001287172397 1062591290 /nfs/dbraw/zinc/59/12/90/1062591290.db2.gz KHHZZHREPHEMPA-DOTOQJQBSA-N 0 0 495.650 2.799 20 0 JFADRN CCCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(NC(=O)C2CC2)CC1 ZINC001294879107 1062591575 /nfs/dbraw/zinc/59/15/75/1062591575.db2.gz ZXHOYNBCRAOJLH-INIZCTEOSA-N 0 0 472.565 2.578 20 0 JFADRN CC(C)c1nnc([C@H]2CN(c3nnc(C(C)C)n3CC[C@@H](C(F)F)N3CCOCC3)CCO2)o1 ZINC001287172546 1062591690 /nfs/dbraw/zinc/59/16/90/1062591690.db2.gz NXBAFMXYKAAWKV-DLBZAZTESA-N 0 0 483.564 2.842 20 0 JFADRN CC(C)c1nnc([C@@H]2CN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC(C)(C)C3CC3)CCO2)o1 ZINC001287172400 1062591835 /nfs/dbraw/zinc/59/18/35/1062591835.db2.gz KHHZZHREPHEMPA-WBVHZDCISA-N 0 0 495.650 2.799 20 0 JFADRN 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CCN(CC)C(=O)COc1ccc(NC(=O)c2ccc(S(N)(=O)=O)cc2F)cc1Cl ZINC001290848208 1062734354 /nfs/dbraw/zinc/73/43/54/1062734354.db2.gz ZACIERDMHBTEQT-UHFFFAOYSA-N 0 0 457.911 2.626 20 0 JFADRN CCCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCC(NS(C)(=O)=O)CC2)cn1 ZINC001294948719 1062734532 /nfs/dbraw/zinc/73/45/32/1062734532.db2.gz FVOHPWKJUOQHFF-MRXNPFEDSA-N 0 0 450.609 2.542 20 0 JFADRN CC(C)[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2(O)CCOCC2)C1 ZINC001287252732 1062735160 /nfs/dbraw/zinc/73/51/60/1062735160.db2.gz HVBKYJVFRDZVSB-HXUWFJFHSA-N 0 0 491.658 2.609 20 0 JFADRN CCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC001294948986 1062735190 /nfs/dbraw/zinc/73/51/90/1062735190.db2.gz QVTSAGURJUXQJS-UHFFFAOYSA-N 0 0 491.596 2.611 20 0 JFADRN CCCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC([C@H]3CC3(F)F)CC2)cn1 ZINC001294949520 1062735624 /nfs/dbraw/zinc/73/56/24/1062735624.db2.gz NLIMIUWSTVHJFV-CRAIPNDOSA-N 0 0 498.600 2.992 20 0 JFADRN CCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@]3(CCOC3)C2)cc1OC ZINC001294949341 1062735647 /nfs/dbraw/zinc/73/56/47/1062735647.db2.gz RURIIHPTUANWHQ-DEOSSOPVSA-N 0 0 457.575 2.879 20 0 JFADRN CCCOc1ccc(Cn2c(C)nnc2N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)cc1OC ZINC001294949573 1062736190 /nfs/dbraw/zinc/73/61/90/1062736190.db2.gz PCNMGBOQBUYFJE-LJQANCHMSA-N 0 0 467.574 2.830 20 0 JFADRN CCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](c3ccnn3C)C2)cn1 ZINC001294949815 1062736246 /nfs/dbraw/zinc/73/62/46/1062736246.db2.gz VGWQNTVKEQEKGQ-IBGZPJMESA-N 0 0 466.590 2.766 20 0 JFADRN Cc1nnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001290852080 1062736242 /nfs/dbraw/zinc/73/62/42/1062736242.db2.gz PFTVITVNMKFJEE-SSEXGKCCSA-N 0 0 455.987 2.889 20 0 JFADRN Cc1nnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1CC[S@](=O)C(C)(C)C ZINC001290852079 1062736275 /nfs/dbraw/zinc/73/62/75/1062736275.db2.gz PFTVITVNMKFJEE-PMERELPUSA-N 0 0 455.987 2.889 20 0 JFADRN CCCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)O[C@@H](CC)C2)cc1 ZINC001294950312 1062736890 /nfs/dbraw/zinc/73/68/90/1062736890.db2.gz WAEZEVMQEDWLBD-AOIWGVFYSA-N 0 0 465.620 2.729 20 0 JFADRN Cc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1Cc1ccccc1S(=O)(=O)N(C)C ZINC001290852509 1062737518 /nfs/dbraw/zinc/73/75/18/1062737518.db2.gz MCRSYAZMXAFVFP-UHFFFAOYSA-N 0 0 488.658 2.504 20 0 JFADRN Cc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1Cc1cccc(Br)n1 ZINC001290853048 1062737945 /nfs/dbraw/zinc/73/79/45/1062737945.db2.gz VGHPPKCBBPJPSJ-UHFFFAOYSA-N 0 0 489.349 2.659 20 0 JFADRN CNC(=O)c1cccc(NC(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)c1C ZINC001290854924 1062738777 /nfs/dbraw/zinc/73/87/77/1062738777.db2.gz ZXOYNKCXWLDPAD-UHFFFAOYSA-N 0 0 452.515 2.717 20 0 JFADRN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)COc2nsnc2N2CCOCC2)C1 ZINC001290854876 1062738819 /nfs/dbraw/zinc/73/88/19/1062738819.db2.gz YZNHHPOSHRMICI-HZPDHXFCSA-N 0 0 459.572 2.510 20 0 JFADRN CC(C)[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCNS(=O)(=O)c2ccccc2)C1 ZINC001287264734 1062739123 /nfs/dbraw/zinc/73/91/23/1062739123.db2.gz CQRIYHFKBPXRTI-IBGZPJMESA-N 0 0 454.600 2.725 20 0 JFADRN Cc1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1CCNC(=O)c1cccs1 ZINC001290856330 1062739202 /nfs/dbraw/zinc/73/92/02/1062739202.db2.gz BDHGDZOKYVZTIZ-UHFFFAOYSA-N 0 0 454.556 2.537 20 0 JFADRN Cc1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001290856300 1062739489 /nfs/dbraw/zinc/73/94/89/1062739489.db2.gz DVLVDHBNPHNCBS-INIZCTEOSA-N 0 0 450.509 2.787 20 0 JFADRN CCCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC(=O)N(C)C[C@H]2C)cn1 ZINC001294954559 1062739615 /nfs/dbraw/zinc/73/96/15/1062739615.db2.gz VQWLHFHDFYDFGP-OAHLLOKOSA-N 0 0 455.950 2.893 20 0 JFADRN CC(C)[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC[C@H](CO)O2)C1 ZINC001287265310 1062740115 /nfs/dbraw/zinc/74/01/15/1062740115.db2.gz LNANNVLIKOBHQW-HAGHYFMRSA-N 0 0 479.622 2.609 20 0 JFADRN CC(C)[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2ccccc2F)C1 ZINC001287265432 1062740630 /nfs/dbraw/zinc/74/06/30/1062740630.db2.gz NSWLEIVCWPYDGZ-FPOVZHCZSA-N 0 0 479.622 2.865 20 0 JFADRN CCCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1 ZINC001294957702 1062740715 /nfs/dbraw/zinc/74/07/15/1062740715.db2.gz MLUSJBVEPUOXCC-SJORKVTESA-N 0 0 460.604 2.774 20 0 JFADRN CCCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(CC(=O)N(C)C)CC2)cn1 ZINC001294958004 1062740827 /nfs/dbraw/zinc/74/08/27/1062740827.db2.gz OYIPCIVCYGBUSV-UHFFFAOYSA-N 0 0 464.574 2.662 20 0 JFADRN CCCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC(C)(C)C)cc1 ZINC001294958704 1062741350 /nfs/dbraw/zinc/74/13/50/1062741350.db2.gz ABMPPZOYHOFPLU-FQEVSTJZSA-N 0 0 479.647 2.930 20 0 JFADRN Cc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001290857629 1062741517 /nfs/dbraw/zinc/74/15/17/1062741517.db2.gz NZHZLSGQLJJEBT-UZKOGDIHSA-N 0 0 460.667 2.997 20 0 JFADRN Cc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001290857619 1062741622 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/nfs/dbraw/zinc/74/25/28/1062742528.db2.gz KQABBSSAIOOXSK-HXUWFJFHSA-N 0 0 471.602 2.741 20 0 JFADRN CCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC=C(COC)CC2)cc1OC ZINC001294960206 1062742878 /nfs/dbraw/zinc/74/28/78/1062742878.db2.gz BPSNQPQMZKMOKF-LJQANCHMSA-N 0 0 455.559 2.858 20 0 JFADRN CC(C)[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001287265905 1062743156 /nfs/dbraw/zinc/74/31/56/1062743156.db2.gz YGZOBKHREGOUOC-GUDVDZBRSA-N 0 0 490.649 2.984 20 0 JFADRN CC(C)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287267942 1062743846 /nfs/dbraw/zinc/74/38/46/1062743846.db2.gz KOGNWXVITUTFBX-GOSISDBHSA-N 0 0 472.556 2.536 20 0 JFADRN CCCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC001294961725 1062743863 /nfs/dbraw/zinc/74/38/63/1062743863.db2.gz YIUKIGKZRRLYFS-ZIFCJYIRSA-N 0 0 478.615 2.640 20 0 JFADRN CCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](COC(C)C)C2)cc1 ZINC001294962359 1062744394 /nfs/dbraw/zinc/74/43/94/1062744394.db2.gz KJTVHEGUKFIENH-LEWJYISDSA-N 0 0 457.575 2.697 20 0 JFADRN Cn1cc(C(=O)c2cccc3ccccc32)cc1C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001290861286 1062745314 /nfs/dbraw/zinc/74/53/14/1062745314.db2.gz QIQLQUBLHXSSPL-QGZVFWFLSA-N 0 0 453.564 2.811 20 0 JFADRN CCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](NC(=O)CC)C2)cc1 ZINC001294963284 1062745404 /nfs/dbraw/zinc/74/54/04/1062745404.db2.gz QWOGNTYTTDMKQW-UYAOXDASSA-N 0 0 454.575 2.561 20 0 JFADRN CCCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCN(CCOC)C(=O)C2)cc1 ZINC001294963675 1062745534 /nfs/dbraw/zinc/74/55/34/1062745534.db2.gz UOBYSRRFCUBYKE-OAQYLSRUSA-N 0 0 457.575 2.652 20 0 JFADRN CC(C)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001287271694 1062745682 /nfs/dbraw/zinc/74/56/82/1062745682.db2.gz TUBDNLGJMIYKQV-UHFFFAOYSA-N 0 0 479.672 2.967 20 0 JFADRN CC(C)[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001287271729 1062745730 /nfs/dbraw/zinc/74/57/30/1062745730.db2.gz UEYKEAKHOHLSOT-IERDGZPVSA-N 0 0 469.007 2.542 20 0 JFADRN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC001294964133 1062745965 /nfs/dbraw/zinc/74/59/65/1062745965.db2.gz KLWNWDCDUJZEJG-IEBWSBKVSA-N 0 0 452.598 2.742 20 0 JFADRN CCCOc1ccc(Cn2c(CC)nnc2N2CCN(CC(=O)Nc3ccccc3)CC2)cn1 ZINC001294964089 1062746041 /nfs/dbraw/zinc/74/60/41/1062746041.db2.gz GJNFDCVHIQFVPN-UHFFFAOYSA-N 0 0 463.586 2.833 20 0 JFADRN CCCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](C(N)=O)C2)cc1OC ZINC001294964573 1062746138 /nfs/dbraw/zinc/74/61/38/1062746138.db2.gz ICDQUHQEGWJKIU-IBGZPJMESA-N 0 0 464.570 2.811 20 0 JFADRN CC(C)[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001287271946 1062746315 /nfs/dbraw/zinc/74/63/15/1062746315.db2.gz ZVZCIONQNPKSDZ-MKXGPGLRSA-N 0 0 481.663 2.966 20 0 JFADRN CCCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2C[C@H](COC)O[C@@H](C)C2)cn1 ZINC001294965485 1062746489 /nfs/dbraw/zinc/74/64/89/1062746489.db2.gz OKFAEWWKDQWIOV-GHTZIAJQSA-N 0 0 452.559 2.736 20 0 JFADRN Cc1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CCc1ccc(S(C)(=O)=O)cc1 ZINC001290863188 1062747154 /nfs/dbraw/zinc/74/71/54/1062747154.db2.gz BNYMZYQCIXEWOB-UHFFFAOYSA-N 0 0 460.991 2.608 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCCCCC2)CCS1 ZINC001287274156 1062747413 /nfs/dbraw/zinc/74/74/13/1062747413.db2.gz JZGYSROKXNEJPD-IBGZPJMESA-N 0 0 462.664 2.885 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCCN2CCOCC2)CCO1 ZINC001287274051 1062747488 /nfs/dbraw/zinc/74/74/88/1062747488.db2.gz ICKKTTTYLKWOEN-IBGZPJMESA-N 0 0 481.439 2.630 20 0 JFADRN CCCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC001294966077 1062747638 /nfs/dbraw/zinc/74/76/38/1062747638.db2.gz XFHQVNMSKYTBLE-HXUWFJFHSA-N 0 0 470.599 2.509 20 0 JFADRN CCCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCN(C(=O)OCC)CC2)cn1 ZINC001294965759 1062747655 /nfs/dbraw/zinc/74/76/55/1062747655.db2.gz RSRWJUPGJUBUGZ-UHFFFAOYSA-N 0 0 465.558 2.775 20 0 JFADRN C[C@@H]1C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CN1C1CC1 ZINC001294966652 1062748264 /nfs/dbraw/zinc/74/82/64/1062748264.db2.gz GVLZWMYBEZUWCW-HFTRVMKXSA-N 0 0 457.434 2.784 20 0 JFADRN Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CCCN(C)c1ccccc1F ZINC001290866872 1062748859 /nfs/dbraw/zinc/74/88/59/1062748859.db2.gz DYGNTXSUEDZKBI-NHCUHLMSSA-N 0 0 485.652 2.879 20 0 JFADRN CC(C)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2c(F)cccc2F)N(C)C)CCO1 ZINC001287274388 1062748929 /nfs/dbraw/zinc/74/89/29/1062748929.db2.gz OZDMWURGOVNSAN-UXHICEINSA-N 0 0 476.572 2.956 20 0 JFADRN CCCOc1ccc(Cn2c(COc3ccccc3F)nnc2N2CCNC(=O)[C@H]2CC)cn1 ZINC001294968178 1062750133 /nfs/dbraw/zinc/75/01/33/1062750133.db2.gz HSPFFSKSSPFLJT-LJQANCHMSA-N 0 0 468.533 2.943 20 0 JFADRN CCCOc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](OC)C2)cn1 ZINC001294968419 1062750199 /nfs/dbraw/zinc/75/01/99/1062750199.db2.gz KUNPXQBSYLRSMA-KRWDZBQOSA-N 0 0 456.572 2.727 20 0 JFADRN 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C[C@H]1CCC[C@]1(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291078986 1063033595 /nfs/dbraw/zinc/03/35/95/1063033595.db2.gz VWRTZYFPYJZCIL-FYSMJZIKSA-N 0 0 457.575 2.618 20 0 JFADRN CC(C)CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001287673027 1063034851 /nfs/dbraw/zinc/03/48/51/1063034851.db2.gz OBJSJONZMYUGFV-QRWLVFNGSA-N 0 0 456.996 2.713 20 0 JFADRN CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1CC1 ZINC001295218249 1063035036 /nfs/dbraw/zinc/03/50/36/1063035036.db2.gz MYQQORACRZPNNZ-NVXWUHKLSA-N 0 0 455.625 2.718 20 0 JFADRN CC(C)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(CS(C)(=O)=O)CC1 ZINC001287673044 1063035230 /nfs/dbraw/zinc/03/52/30/1063035230.db2.gz OQNMKJJUUCRQKO-UHFFFAOYSA-N 0 0 468.023 2.779 20 0 JFADRN CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C)C1CCCC1 ZINC001295218444 1063035544 /nfs/dbraw/zinc/03/55/44/1063035544.db2.gz OLFQGDQGTLGOCS-QGZVFWFLSA-N 0 0 460.583 2.532 20 0 JFADRN C[C@@H]1CCC[C@]1(O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001291079930 1063035447 /nfs/dbraw/zinc/03/54/47/1063035447.db2.gz ISNWMFWBGMXSDT-JIROWCAOSA-N 0 0 490.649 2.645 20 0 JFADRN C[C@@H]1CCC[C@@]1(O)Cn1c(Cc2ccccc2F)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001291080106 1063035488 /nfs/dbraw/zinc/03/54/88/1063035488.db2.gz KVQJURREWKXMAU-OPAMFIHVSA-N 0 0 450.580 2.573 20 0 JFADRN C[C@H]1CCC[C@]1(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001291080659 1063036361 /nfs/dbraw/zinc/03/63/61/1063036361.db2.gz RZSXKJLCPWQVNI-XDHUDOTRSA-N 0 0 488.658 2.515 20 0 JFADRN CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC001295219048 1063036874 /nfs/dbraw/zinc/03/68/74/1063036874.db2.gz OCIBTYGGTFSVFF-CEXWTWQISA-N 0 0 467.680 2.837 20 0 JFADRN CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)C1CCCC1 ZINC001295219050 1063037003 /nfs/dbraw/zinc/03/70/03/1063037003.db2.gz OCIBTYGGTFSVFF-GBESFXJTSA-N 0 0 467.680 2.837 20 0 JFADRN CC(C)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCS(=O)(=O)CC1 ZINC001287683837 1063037812 /nfs/dbraw/zinc/03/78/12/1063037812.db2.gz RIWXLXICRWTYTK-GOSISDBHSA-N 0 0 485.651 2.504 20 0 JFADRN CC(C)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCS(=O)(=O)CC1 ZINC001287683838 1063037931 /nfs/dbraw/zinc/03/79/31/1063037931.db2.gz RIWXLXICRWTYTK-SFHVURJKSA-N 0 0 485.651 2.504 20 0 JFADRN C[C@H]1CCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001291082038 1063038316 /nfs/dbraw/zinc/03/83/16/1063038316.db2.gz JXMFMAHVTCZIQC-HOCLYGCPSA-N 0 0 453.012 2.948 20 0 JFADRN C[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001291082036 1063038442 /nfs/dbraw/zinc/03/84/42/1063038442.db2.gz JXMFMAHVTCZIQC-GDBMZVCRSA-N 0 0 453.012 2.948 20 0 JFADRN C[C@H]1CCC[C@@]1(O)Cn1c([C@H]2CCCO2)nnc1N(C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC001291082574 1063038864 /nfs/dbraw/zinc/03/88/64/1063038864.db2.gz QWZCBYCXCZCCIZ-SNYIIPAISA-N 0 0 492.642 2.990 20 0 JFADRN CC(C)CN(c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)c1ccccc1)C1CCCC1 ZINC001287691446 1063039460 /nfs/dbraw/zinc/03/94/60/1063039460.db2.gz LBKOKSISOMSEQR-UHFFFAOYSA-N 0 0 488.658 2.898 20 0 JFADRN C[C@@H]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001291084240 1063040221 /nfs/dbraw/zinc/04/02/21/1063040221.db2.gz MFYATGWLYXIXGK-FGTMMUONSA-N 0 0 457.579 2.901 20 0 JFADRN C[C@@H]1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001291085243 1063041125 /nfs/dbraw/zinc/04/11/25/1063041125.db2.gz ZDTPFUYESFTQMW-VYDXJSESSA-N 0 0 477.553 2.746 20 0 JFADRN CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC(F)(F)F)nc1)C1CC1 ZINC001295221845 1063042298 /nfs/dbraw/zinc/04/22/98/1063042298.db2.gz XPRSRJOABVEXFR-OAHLLOKOSA-N 0 0 473.521 2.748 20 0 JFADRN CC(C)CN(c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@H]1CCS(=O)(=O)C1)C(C)C ZINC001287704573 1063042417 /nfs/dbraw/zinc/04/24/17/1063042417.db2.gz WQIWCNUBYNLITP-MRXNPFEDSA-N 0 0 458.588 2.899 20 0 JFADRN C[C@H]1CCCC[C@H]1OCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnn(C)c1 ZINC001291085763 1063042440 /nfs/dbraw/zinc/04/24/40/1063042440.db2.gz GBRPVXWEMKWQIW-PKOBYXMFSA-N 0 0 452.563 2.891 20 0 JFADRN C[C@H]1CCCC[C@H]1OCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001291085748 1063042542 /nfs/dbraw/zinc/04/25/42/1063042542.db2.gz FTEAVBAHAXYENX-AZUAARDMSA-N 0 0 457.623 2.969 20 0 JFADRN CC(C)CN(c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@]1(O)CCO[C@H]1C)C(C)C ZINC001287701383 1063042521 /nfs/dbraw/zinc/04/25/21/1063042521.db2.gz VAIRGRZTPBOHTA-XDHUDOTRSA-N 0 0 454.575 2.603 20 0 JFADRN C[C@@H]1CCCC[C@@H]1OCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291085868 1063042971 /nfs/dbraw/zinc/04/29/71/1063042971.db2.gz HJUABMADQZVZHC-AEFFLSMTSA-N 0 0 474.606 2.952 20 0 JFADRN C[C@@H]1CCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001291086220 1063043040 /nfs/dbraw/zinc/04/30/40/1063043040.db2.gz KVKXQTJBKLTZKG-MOPGFXCFSA-N 0 0 458.582 2.643 20 0 JFADRN C[C@@H]1CCCC[C@H]1OCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001291086440 1063043394 /nfs/dbraw/zinc/04/33/94/1063043394.db2.gz NFWLFHBAWUWMKL-LVCYWYKZSA-N 0 0 489.642 2.611 20 0 JFADRN CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295225411 1063044243 /nfs/dbraw/zinc/04/42/43/1063044243.db2.gz CEGGNXQWNZDBHR-HXUWFJFHSA-N 0 0 494.061 2.842 20 0 JFADRN CCN(c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295225525 1063044265 /nfs/dbraw/zinc/04/42/65/1063044265.db2.gz LVYKGGXNJZJSNC-CYFREDJKSA-N 0 0 476.643 2.832 20 0 JFADRN C[C@@H]1CCCC[C@@H]1OCCn1c(Cc2ccncc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001291088331 1063044831 /nfs/dbraw/zinc/04/48/31/1063044831.db2.gz OXBZLLXNYBZGAP-KNQAVFIVSA-N 0 0 490.674 2.625 20 0 JFADRN C[C@H](CC(N)=O)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCO[C@H]1CCCC[C@H]1C ZINC001291088389 1063044861 /nfs/dbraw/zinc/04/48/61/1063044861.db2.gz POZPJUGCTMODMO-SBHAEUEKSA-N 0 0 484.649 2.748 20 0 JFADRN C[C@@H](CC(N)=O)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCO[C@H]1CCCC[C@H]1C ZINC001291088388 1063044902 /nfs/dbraw/zinc/04/49/02/1063044902.db2.gz POZPJUGCTMODMO-DYXWJJEUSA-N 0 0 484.649 2.748 20 0 JFADRN CCN(c1nnc(Cc2ccc(F)cc2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295225951 1063045029 /nfs/dbraw/zinc/04/50/29/1063045029.db2.gz HLMJJEXXQLWXJT-GOSISDBHSA-N 0 0 481.594 2.546 20 0 JFADRN C[C@@H]1CCCC[C@@H]1OCCn1c([C@@H]2CCCOC2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001291088542 1063045348 /nfs/dbraw/zinc/04/53/48/1063045348.db2.gz QVFWOCXANRCHQZ-GGPKGHCWSA-N 0 0 454.637 2.781 20 0 JFADRN CC(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC001287713661 1063046514 /nfs/dbraw/zinc/04/65/14/1063046514.db2.gz LKBKUDXUMPZAFB-WMLDXEAASA-N 0 0 486.436 2.885 20 0 JFADRN CCN(c1nnc(Cc2ccccc2OC)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 ZINC001295226509 1063046792 /nfs/dbraw/zinc/04/67/92/1063046792.db2.gz YIQNKIFTNLENOY-CQSZACIVSA-N 0 0 493.374 2.879 20 0 JFADRN C[C@@H]1CCCC[C@H]1OCCn1c([C@@H]2CCCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001291089068 1063047087 /nfs/dbraw/zinc/04/70/87/1063047087.db2.gz YGOCBYNQFGKDFE-RLLQIKCJSA-N 0 0 469.652 2.633 20 0 JFADRN C[C@@H]1CCCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2cn[nH]c2)C1 ZINC001291089303 1063047167 /nfs/dbraw/zinc/04/71/67/1063047167.db2.gz BUZZTABEDCYNJD-QGZVFWFLSA-N 0 0 457.604 2.788 20 0 JFADRN C[C@@H]1CCCC[C@H]1OCCn1c([C@H]2CCCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001291089067 1063047269 /nfs/dbraw/zinc/04/72/69/1063047269.db2.gz YGOCBYNQFGKDFE-MISYRCLQSA-N 0 0 469.652 2.633 20 0 JFADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@@H](C)C2)n1Cc1cccc(Cn2cccn2)c1 ZINC001291089317 1063047589 /nfs/dbraw/zinc/04/75/89/1063047589.db2.gz BYIYIUZGEIRCNJ-RTBURBONSA-N 0 0 471.631 2.808 20 0 JFADRN CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CCCC1 ZINC001295226931 1063047895 /nfs/dbraw/zinc/04/78/95/1063047895.db2.gz XPWRLBGIKFPIJR-NRFANRHFSA-N 0 0 453.008 2.841 20 0 JFADRN CC(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001287716256 1063047993 /nfs/dbraw/zinc/04/79/93/1063047993.db2.gz DXMTYDNBLPCFLQ-OAHLLOKOSA-N 0 0 487.468 2.810 20 0 JFADRN CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC001295227330 1063048434 /nfs/dbraw/zinc/04/84/34/1063048434.db2.gz CYTWIIPGXPYTAB-HXUWFJFHSA-N 0 0 470.599 2.508 20 0 JFADRN CC(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1cccs1 ZINC001287724592 1063048894 /nfs/dbraw/zinc/04/88/94/1063048894.db2.gz FJIITCGBXQLVLV-FUHWJXTLSA-N 0 0 453.634 2.540 20 0 JFADRN CC(C)Cn1ncc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1C(C)C ZINC001295227612 1063049338 /nfs/dbraw/zinc/04/93/38/1063049338.db2.gz PYQQFGFQIRLRPQ-RCCFBDPRSA-N 0 0 452.621 2.711 20 0 JFADRN C[C@H]1CCCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCOC2=O)C1 ZINC001291091920 1063050684 /nfs/dbraw/zinc/05/06/84/1063050684.db2.gz ZUFHLBKMXOSVAU-KRWDZBQOSA-N 0 0 461.588 2.817 20 0 JFADRN 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C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCS1 ZINC001291256695 1063549733 /nfs/dbraw/zinc/54/97/33/1063549733.db2.gz YHXIDBSKNLNFGD-FPCVCCKLSA-N 0 0 497.609 2.846 20 0 JFADRN C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCOCCS(C)(=O)=O)C[C@H](c2ccccc2)O1 ZINC001291258443 1063550834 /nfs/dbraw/zinc/55/08/34/1063550834.db2.gz BIPLSIJASVOELC-UYAOXDASSA-N 0 0 464.632 2.894 20 0 JFADRN C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCOCCS(C)(=O)=O)C[C@@H](c2ccccc2)O1 ZINC001291258441 1063550911 /nfs/dbraw/zinc/55/09/11/1063550911.db2.gz BIPLSIJASVOELC-ICSRJNTNSA-N 0 0 464.632 2.894 20 0 JFADRN C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC001291258840 1063552120 /nfs/dbraw/zinc/55/21/20/1063552120.db2.gz IWWGFBBECSGTHQ-JBYIUTFZSA-N 0 0 489.583 2.904 20 0 JFADRN C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCc2cccc(C(N)=O)c2)CC2(CCOCC2)O1 ZINC001291258820 1063552140 /nfs/dbraw/zinc/55/21/40/1063552140.db2.gz IMHUFEPTWZAUMR-SFHVURJKSA-N 0 0 455.603 2.983 20 0 JFADRN C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCCN2CCOCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291259853 1063553547 /nfs/dbraw/zinc/55/35/47/1063553547.db2.gz ZHSKSFVOKRPWQV-RTBURBONSA-N 0 0 464.655 2.938 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccnc(OC(F)F)c2)CC(=O)N1C ZINC001291260069 1063553931 /nfs/dbraw/zinc/55/39/31/1063553931.db2.gz DEKYKKDLGVUMDH-ZDUSSCGKSA-N 0 0 478.450 2.859 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC001291260489 1063554756 /nfs/dbraw/zinc/55/47/56/1063554756.db2.gz KMANLSXFUPMPGQ-PBHICJAKSA-N 0 0 487.910 2.537 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCS(=O)(=O)C2)CCCO1 ZINC001291260292 1063554832 /nfs/dbraw/zinc/55/48/32/1063554832.db2.gz HDBABNDTYSSUQC-CVEARBPZSA-N 0 0 454.543 2.587 20 0 JFADRN C[C@H]1OCC[C@]12CN(c1nnc(Cc3ccc(Cl)cc3)n1CC(=O)NCC(F)F)C[C@@H](C)O2 ZINC001291261034 1063555830 /nfs/dbraw/zinc/55/58/30/1063555830.db2.gz TUUZNUVYCMATAZ-HLFMIMNKSA-N 0 0 483.947 2.676 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2COCCO2)C[C@@H](C(F)(F)F)O1 ZINC001291261246 1063556208 /nfs/dbraw/zinc/55/62/08/1063556208.db2.gz XJFWCTMPGAITFH-IGCXYCKISA-N 0 0 462.419 2.719 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCOC(F)F)C[C@@H]1N1CCOCC1 ZINC001291262012 1063558111 /nfs/dbraw/zinc/55/81/11/1063558111.db2.gz LLXIEXHUVYGVLI-LPHOPBHVSA-N 0 0 453.509 2.794 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCOCCCO)CCN1CC(F)(F)F ZINC001291262335 1063559434 /nfs/dbraw/zinc/55/94/34/1063559434.db2.gz QVLYYNAYAPSXDQ-INIZCTEOSA-N 0 0 475.943 2.994 20 0 JFADRN CC(C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001291262483 1063559957 /nfs/dbraw/zinc/55/99/57/1063559957.db2.gz UFCPDFYXNFMMSB-YOEHRIQHSA-N 0 0 457.472 2.936 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCOCC2)CCN1CC(F)(F)F ZINC001291262549 1063560464 /nfs/dbraw/zinc/56/04/64/1063560464.db2.gz VGRDBFLTCQPBDO-SFHVURJKSA-N 0 0 484.542 2.803 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2ccco2)CCN1CC(F)(F)F ZINC001291263538 1063561948 /nfs/dbraw/zinc/56/19/48/1063561948.db2.gz MNKPHISTFKVQKZ-HRAATJIYSA-N 0 0 464.492 2.837 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC(=O)N1C ZINC001291263887 1063562964 /nfs/dbraw/zinc/56/29/64/1063562964.db2.gz SMDAGPILGITCEB-OXQOHEQNSA-N 0 0 469.540 2.512 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCNc2nccc(C(F)(F)F)n2)C[C@H](C)O1 ZINC001291264658 1063563979 /nfs/dbraw/zinc/56/39/79/1063563979.db2.gz GXCUYANEGZOJQS-GASCZTMLSA-N 0 0 462.480 2.798 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[C@@H](C(F)F)N2CCOCC2)C[C@H](C)S1 ZINC001291265345 1063565776 /nfs/dbraw/zinc/56/57/76/1063565776.db2.gz SDJRAHACFFEHIP-SCTDSRPQSA-N 0 0 466.602 2.950 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CCCO1 ZINC001291265401 1063566289 /nfs/dbraw/zinc/56/62/89/1063566289.db2.gz UDCVJUOMQQHILF-HKUYNNGSSA-N 0 0 468.524 2.532 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccc(C(N)=O)cc2)CCN1C(=O)OC(C)(C)C ZINC001291265362 1063566366 /nfs/dbraw/zinc/56/63/66/1063566366.db2.gz SHDUPWBSQDPUMK-GOSISDBHSA-N 0 0 491.596 2.857 20 0 JFADRN CSC[C@H](C(=O)NCCSCc1ccnc(Cl)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001295531091 1063567820 /nfs/dbraw/zinc/56/78/20/1063567820.db2.gz VTSWKYLRCLEGTE-HRCADAONSA-N 0 0 456.033 2.991 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCC(=O)NC(C)(C)C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291266602 1063569077 /nfs/dbraw/zinc/56/90/77/1063569077.db2.gz PDGFRUUFHOMIEH-PKOBYXMFSA-N 0 0 485.633 2.918 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291267062 1063569947 /nfs/dbraw/zinc/56/99/47/1063569947.db2.gz YFSONFLCLGVFRD-LAUBAEHRSA-N 0 0 491.596 2.761 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC(=O)NC2CCCCC2)CCN1CC(F)(F)F ZINC001291266933 1063570005 /nfs/dbraw/zinc/57/00/05/1063570005.db2.gz VTLAWZFKHXXMAB-QGZVFWFLSA-N 0 0 479.551 2.786 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCCn2cc(Br)cn2)CCO1 ZINC001291267547 1063571091 /nfs/dbraw/zinc/57/10/91/1063571091.db2.gz HFKUWYWXPLBIEM-MRXNPFEDSA-N 0 0 460.380 2.928 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ncnn2C(C)(C)C)C[C@@H](C(F)(F)F)O1 ZINC001291267968 1063571536 /nfs/dbraw/zinc/57/15/36/1063571536.db2.gz NIEINDFIUTVJHP-ZBFHGGJFSA-N 0 0 464.496 2.815 20 0 JFADRN C[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1)NC(=O)OC(C)(C)C ZINC001291268106 1063571981 /nfs/dbraw/zinc/57/19/81/1063571981.db2.gz PXCTVJJGKQNWFJ-WYEJZRMESA-N 0 0 486.617 2.951 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCCCS(C)(=O)=O)C[C@@H](C(F)(F)F)O1 ZINC001291268416 1063573380 /nfs/dbraw/zinc/57/33/80/1063573380.db2.gz WDNQKURYVRLYFU-WBVHZDCISA-N 0 0 475.537 2.635 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)C(C)(C)C)C[C@@]2(CCCOC2)O1 ZINC001291268751 1063573957 /nfs/dbraw/zinc/57/39/57/1063573957.db2.gz CDJBENGNEAQHSJ-HTAPYJJXSA-N 0 0 482.672 2.918 20 0 JFADRN COc1cccc(C2=CCN(C(=O)c3cc(Br)cc(S(N)(=O)=O)c3C)C2)c1 ZINC001295539304 1063574542 /nfs/dbraw/zinc/57/45/42/1063574542.db2.gz VURQICKTPRUQHI-UHFFFAOYSA-N 0 0 451.342 2.953 20 0 JFADRN Cc1cc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cnc1Br ZINC001295539585 1063574648 /nfs/dbraw/zinc/57/46/48/1063574648.db2.gz YEWODGFEFIOVCA-HNNXBMFYSA-N 0 0 454.346 2.862 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291269209 1063574862 /nfs/dbraw/zinc/57/48/62/1063574862.db2.gz LQTSOAPXZSRICR-CLMWXKPWSA-N 0 0 477.631 2.820 20 0 JFADRN C[C@H]1CN(c2nnc(CC3CCCC3)n2Cc2ccc(C(N)=O)nc2)C[C@H](C(F)(F)F)O1 ZINC001291271902 1063577202 /nfs/dbraw/zinc/57/72/02/1063577202.db2.gz IWOKPKREVMFYBK-SUMWQHHRSA-N 0 0 452.481 2.709 20 0 JFADRN C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CC(=O)NCC2CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291272748 1063577257 /nfs/dbraw/zinc/57/72/57/1063577257.db2.gz XIPRORWGKQKDSS-NQIIRXRSSA-N 0 0 482.629 2.939 20 0 JFADRN C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCCN2CCOCC2)CCN1CC(F)(F)F ZINC001291272914 1063577525 /nfs/dbraw/zinc/57/75/25/1063577525.db2.gz ZTZFSWWGXKAGJQ-GOSISDBHSA-N 0 0 458.573 2.806 20 0 JFADRN C[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H]2COCCO2)CCN1CC(F)(F)F ZINC001291273714 1063578827 /nfs/dbraw/zinc/57/88/27/1063578827.db2.gz NOKITGRWXRFFHL-MJGOQNOKSA-N 0 0 453.509 2.552 20 0 JFADRN C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC2(O)CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291274998 1063581890 /nfs/dbraw/zinc/58/18/90/1063581890.db2.gz KYGULACNKAGQDH-PKOBYXMFSA-N 0 0 457.575 2.774 20 0 JFADRN C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC(=O)NCC(F)(F)F)CC(C)(C)O1 ZINC001291275264 1063583030 /nfs/dbraw/zinc/58/30/30/1063583030.db2.gz OZXUMFHMPLSCRB-OAHLLOKOSA-N 0 0 455.481 2.582 20 0 JFADRN C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)C(F)(F)F)C[C@]2(CCCOC2)O1 ZINC001291275473 1063583382 /nfs/dbraw/zinc/58/33/82/1063583382.db2.gz RVUNLXZGLMYDSR-YWZLYKJASA-N 0 0 459.513 2.763 20 0 JFADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCNC(=O)OC(C)(C)C)CC(C)(C)O1 ZINC001291275964 1063584556 /nfs/dbraw/zinc/58/45/56/1063584556.db2.gz CNNRIUMJNGCFAO-QGZVFWFLSA-N 0 0 464.611 2.709 20 0 JFADRN C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCS[C@H](C)C1)N(C)C(=O)OC(C)(C)C ZINC001291276158 1063585278 /nfs/dbraw/zinc/58/52/78/1063585278.db2.gz HHDUCBBCAKDYMM-HZPDHXFCSA-N 0 0 452.625 2.598 20 0 JFADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCOCC(F)(F)C(F)F)C[C@@H](C)S1 ZINC001291276520 1063586514 /nfs/dbraw/zinc/58/65/14/1063586514.db2.gz NLPOEFOKSNNEPE-CHWSQXEVSA-N 0 0 453.506 2.648 20 0 JFADRN C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCC(=O)Nc2ccccc2)C[C@@H](C(F)(F)F)O1 ZINC001291276588 1063587022 /nfs/dbraw/zinc/58/70/22/1063587022.db2.gz OJLMJXDHTJABEE-RDJZCZTQSA-N 0 0 480.491 2.585 20 0 JFADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC2(O)CCCCCC2)CCN1CC(F)(F)F ZINC001291276812 1063588027 /nfs/dbraw/zinc/58/80/27/1063588027.db2.gz SEUKDOTZLPQVEA-QGZVFWFLSA-N 0 0 472.556 2.559 20 0 JFADRN 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C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001291321660 1063764167 /nfs/dbraw/zinc/76/41/67/1063764167.db2.gz LSFYYACMZWMNAZ-NYHFZMIOSA-N 0 0 492.418 2.729 20 0 JFADRN C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccco1 ZINC001291321721 1063764504 /nfs/dbraw/zinc/76/45/04/1063764504.db2.gz MWZJKHASGBADMH-ORAYPTAESA-N 0 0 450.337 2.815 20 0 JFADRN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC001295762713 1063767020 /nfs/dbraw/zinc/76/70/20/1063767020.db2.gz HVDZGWBMBCGSED-DOTOQJQBSA-N 0 0 457.531 2.684 20 0 JFADRN C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001291322662 1063767384 /nfs/dbraw/zinc/76/73/84/1063767384.db2.gz YWAJZNJRYRAWLR-ZSEKCTLFSA-N 0 0 499.469 2.579 20 0 JFADRN CCN(C[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)C(C)C)C1)CC(F)(F)F ZINC001295762979 1063767405 /nfs/dbraw/zinc/76/74/05/1063767405.db2.gz KANLWZBVEBMEKN-INIZCTEOSA-N 0 0 455.529 2.756 20 0 JFADRN 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JFADRN CC[C@@H](C)c1nnc(N(C)CCN2CCOCC2)n1CCCn1cc(Br)cn1 ZINC001291457316 1064023951 /nfs/dbraw/zinc/02/39/51/1064023951.db2.gz JEZHAQGTTDONQI-MRXNPFEDSA-N 0 0 454.417 2.609 20 0 JFADRN CC[C@H](C)c1nnc(N(C)CCNS(=O)(=O)c2ccc(C)cc2)n1C[C@H]1CCCN(C(C)=O)C1 ZINC001291457818 1064024258 /nfs/dbraw/zinc/02/42/58/1064024258.db2.gz UCSVIYIEHRFDHM-FPOVZHCZSA-N 0 0 490.674 2.773 20 0 JFADRN CC[C@H](C)c1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001291460745 1064025653 /nfs/dbraw/zinc/02/56/53/1064025653.db2.gz AJZHZWGNCMSONW-NLWGTHIKSA-N 0 0 459.616 2.858 20 0 JFADRN CC[C@H](C)c1nnc(N(CC)CCS(C)(=O)=O)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C ZINC001291464154 1064027077 /nfs/dbraw/zinc/02/70/77/1064027077.db2.gz NMYAHJQETXWHRJ-ZSYWTGECSA-N 0 0 499.678 2.687 20 0 JFADRN CCN1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2(S(C)(=O)=O)CC2)C[C@H]1C ZINC001295979669 1064028156 /nfs/dbraw/zinc/02/81/56/1064028156.db2.gz WZVZOMRUBXKSSI-ZIAGYGMSSA-N 0 0 485.452 2.532 20 0 JFADRN CC[C@H](C)c1nnc(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)n1CC1(S(C)(=O)=O)CCCC1 ZINC001291467766 1064028557 /nfs/dbraw/zinc/02/85/57/1064028557.db2.gz CGQOKINITKKOFY-GBESFXJTSA-N 0 0 483.679 2.517 20 0 JFADRN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCS(C)(=O)=O)C[C@@H]1C ZINC001295980665 1064031071 /nfs/dbraw/zinc/03/10/71/1064031071.db2.gz PHBCZFBVUCMGKH-OKZBNKHCSA-N 0 0 467.611 2.911 20 0 JFADRN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)n1CC(F)(F)Br ZINC001291470746 1064031411 /nfs/dbraw/zinc/03/14/11/1064031411.db2.gz USGOVTXETVCEDH-LZWOXQAQSA-N 0 0 477.398 2.768 20 0 JFADRN CC[C@H](C)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCCn1cc(Br)cn1 ZINC001291479435 1064036034 /nfs/dbraw/zinc/03/60/34/1064036034.db2.gz JMSXDRBUHIZCKC-OFQRWUPVSA-N 0 0 450.385 2.556 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1CCCn1cc(CO)nn1 ZINC001291481694 1064036413 /nfs/dbraw/zinc/03/64/13/1064036413.db2.gz ATPSXTLYBWXUTF-QGZVFWFLSA-N 0 0 467.574 2.771 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(C(=O)c3ccc(F)cc3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001291481467 1064036445 /nfs/dbraw/zinc/03/64/45/1064036445.db2.gz WVXIIFVLMQKEPE-HJPURHCSSA-N 0 0 478.590 2.580 20 0 JFADRN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CCC2)C[C@H]1C ZINC001295982887 1064037084 /nfs/dbraw/zinc/03/70/84/1064037084.db2.gz GLVYZXLPMHECTJ-MSOLQXFVSA-N 0 0 461.632 2.840 20 0 JFADRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3CCO)cc1 ZINC001295982889 1064037116 /nfs/dbraw/zinc/03/71/16/1064037116.db2.gz OJEHIADHVHIXFC-KGVIQGDOSA-N 0 0 454.571 2.851 20 0 JFADRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3CCO)cc1 ZINC001295982886 1064037157 /nfs/dbraw/zinc/03/71/57/1064037157.db2.gz OJEHIADHVHIXFC-JBYIUTFZSA-N 0 0 454.571 2.851 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CCS(=O)(=O)NC(C)C ZINC001291482501 1064037840 /nfs/dbraw/zinc/03/78/40/1064037840.db2.gz QEBYMHKLHNESSV-RBUKOAKNSA-N 0 0 482.695 2.594 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001291482470 1064037874 /nfs/dbraw/zinc/03/78/74/1064037874.db2.gz PRADRFDSAHVIHY-ZWKOTPCHSA-N 0 0 467.618 2.809 20 0 JFADRN CC[C@H](C)c1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001291482597 1064038269 /nfs/dbraw/zinc/03/82/69/1064038269.db2.gz RTBWKSQZIIOKFH-IPMKNSEASA-N 0 0 459.616 2.716 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1CCNS(=O)(=O)c1ccccc1 ZINC001291482611 1064038286 /nfs/dbraw/zinc/03/82/86/1064038286.db2.gz SBKUGAQWLDFJLH-IBGZPJMESA-N 0 0 488.658 2.609 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001291482812 1064039055 /nfs/dbraw/zinc/03/90/55/1064039055.db2.gz WVBRHLVZNJXVJE-OAHLLOKOSA-N 0 0 458.529 2.699 20 0 JFADRN CC[C@H](C)c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CCOc1ncccc1F ZINC001291483199 1064039414 /nfs/dbraw/zinc/03/94/14/1064039414.db2.gz CHYOTTJEHBLBDX-KBPBESRZSA-N 0 0 458.460 2.910 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1CCCO[C@@H]1CCOC1 ZINC001291484176 1064040666 /nfs/dbraw/zinc/04/06/66/1064040666.db2.gz UUNKEBUHBUHVFM-NVXWUHKLSA-N 0 0 463.608 2.694 20 0 JFADRN COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C ZINC001295984329 1064041871 /nfs/dbraw/zinc/04/18/71/1064041871.db2.gz GDJOIVVRCMBFSV-SFHVURJKSA-N 0 0 450.326 2.962 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1CCNC(=O)c1ccco1 ZINC001291485515 1064042322 /nfs/dbraw/zinc/04/23/22/1064042322.db2.gz QCUGZSUFLKAELR-AWEZNQCLSA-N 0 0 470.496 2.710 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1C[C@H]1COCCO1 ZINC001291485525 1064042370 /nfs/dbraw/zinc/04/23/70/1064042370.db2.gz QGNGJPVNUDUUCG-UTKZUKDTSA-N 0 0 459.566 2.879 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001291485421 1064042388 /nfs/dbraw/zinc/04/23/88/1064042388.db2.gz OVUBCVSYCAVSPW-MJGOQNOKSA-N 0 0 491.633 2.898 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1C[C@H]1CCCCS1(=O)=O ZINC001291486573 1064043177 /nfs/dbraw/zinc/04/31/77/1064043177.db2.gz IBNTVDUNTAZOER-AZUAARDMSA-N 0 0 473.643 2.782 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC(C(=O)NCCOC)CC2)n1Cc1cccc(Br)n1 ZINC001291485962 1064043183 /nfs/dbraw/zinc/04/31/83/1064043183.db2.gz YOPYFNMHTOJCGD-OAHLLOKOSA-N 0 0 479.423 2.976 20 0 JFADRN CC[C@H](C)c1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O ZINC001291486971 1064043873 /nfs/dbraw/zinc/04/38/73/1064043873.db2.gz OHIZJNAEVHNMRS-BBWFWOEESA-N 0 0 457.641 2.966 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC001291487048 1064044501 /nfs/dbraw/zinc/04/45/01/1064044501.db2.gz PTUAGKAENDKSQK-RTBURBONSA-N 0 0 454.619 2.762 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001291494236 1064047411 /nfs/dbraw/zinc/04/74/11/1064047411.db2.gz WVOMEFONIAMLPE-XMHCIUCPSA-N 0 0 474.635 2.803 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CCOc1ccc(F)c(F)c1 ZINC001291494415 1064047895 /nfs/dbraw/zinc/04/78/95/1064047895.db2.gz ZGTPFZNTMNHDSU-PSLXWICFSA-N 0 0 476.528 2.963 20 0 JFADRN CC[C@@H](C)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CCNS(=O)(=O)c1ccc(C)s1 ZINC001291494766 1064047929 /nfs/dbraw/zinc/04/79/29/1064047929.db2.gz GABDPHNJLFNNLA-WBVHZDCISA-N 0 0 477.660 2.867 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CC(F)(F)Br ZINC001291497086 1064049634 /nfs/dbraw/zinc/04/96/34/1064049634.db2.gz SUIJRJAKEBTMBN-ZYHUDNBSSA-N 0 0 463.327 2.546 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CC(F)(F)Br ZINC001291497083 1064049649 /nfs/dbraw/zinc/04/96/49/1064049649.db2.gz SUIJRJAKEBTMBN-CMPLNLGQSA-N 0 0 463.327 2.546 20 0 JFADRN CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)c2ccc(F)cc2)C[C@@H]1C ZINC001295994872 1064050671 /nfs/dbraw/zinc/05/06/71/1064050671.db2.gz HLRCYHZJOXOAHP-MHYXUVESSA-N 0 0 479.622 2.626 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(CC(N)=O)CC2)n1CCCn1cc(Br)cn1 ZINC001291498403 1064050694 /nfs/dbraw/zinc/05/06/94/1064050694.db2.gz PDEVRDIMNCIRHG-AWEZNQCLSA-N 0 0 452.401 2.933 20 0 JFADRN CC[C@H](C)c1nnc(N2CC[C@H](Cc3cnn(C)c3)C2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001291499736 1064051123 /nfs/dbraw/zinc/05/11/23/1064051123.db2.gz MLZCIQRVCYMKNI-NSHGMRRFSA-N 0 0 465.593 2.950 20 0 JFADRN CC[C@@H](C)c1nnc(N2CC[C@H](Cc3cnn(C)c3)C2)n1CCNS(=O)(=O)c1ccccc1 ZINC001291500578 1064051384 /nfs/dbraw/zinc/05/13/84/1064051384.db2.gz ZPNNUKRGIFUUHY-RTBURBONSA-N 0 0 471.631 2.573 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(Cn3ccnn3)CC2)n1CCS(=O)(=O)c1ccccc1 ZINC001291500758 1064051397 /nfs/dbraw/zinc/05/13/97/1064051397.db2.gz CNUGHKCROHLICH-SFHVURJKSA-N 0 0 457.604 2.774 20 0 JFADRN O=C(N[C@@H](CO)C[C@@H](O)c1ccccc1)c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC001295995871 1064051472 /nfs/dbraw/zinc/05/14/72/1064051472.db2.gz WRGFYBKACOLOMQ-WOJBJXKFSA-N 0 0 453.564 2.861 20 0 JFADRN CC[C@H](C)c1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001291502234 1064052750 /nfs/dbraw/zinc/05/27/50/1064052750.db2.gz DBQRLEIQWCWOHF-ICSRJNTNSA-N 0 0 472.609 2.828 20 0 JFADRN CC[C@@H](C)c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1Cc1nnnn1CC1CC1 ZINC001291502780 1064053522 /nfs/dbraw/zinc/05/35/22/1064053522.db2.gz MUWXDQOVKYRTNU-WBVHZDCISA-N 0 0 459.599 2.587 20 0 JFADRN CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2ccc(OC)cc2)C[C@H]1C ZINC001295997491 1064053713 /nfs/dbraw/zinc/05/37/13/1064053713.db2.gz QXGNNLSCIIOHJD-SVFBPWRDSA-N 0 0 475.659 2.741 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001291503384 1064054507 /nfs/dbraw/zinc/05/45/07/1064054507.db2.gz XNSDCOGCKFJHEH-XFAGBWLFSA-N 0 0 457.623 2.723 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1Cc1ccc(OC)cc1F ZINC001291503738 1064055165 /nfs/dbraw/zinc/05/51/65/1064055165.db2.gz DOOXKXIAAJXFQZ-OAHLLOKOSA-N 0 0 453.584 2.753 20 0 JFADRN CCN1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCS(=O)(=O)Cc2ccccc2)C[C@@H]1C ZINC001295998189 1064055245 /nfs/dbraw/zinc/05/52/45/1064055245.db2.gz TWNRPPWKZDINJT-PMACEKPBSA-N 0 0 485.658 2.603 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1Cc1ccc(-n2ccnc2)c(F)c1 ZINC001291503943 1064055475 /nfs/dbraw/zinc/05/54/75/1064055475.db2.gz HXTURMHXTDODJI-KRWDZBQOSA-N 0 0 489.621 2.930 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC(=O)Nc1c(C)cccc1C ZINC001291504375 1064055956 /nfs/dbraw/zinc/05/59/56/1064055956.db2.gz OSUGAGSVSYQNTD-INIZCTEOSA-N 0 0 476.647 2.813 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1CCNC(=O)c1cccc(OC)c1 ZINC001291506565 1064057188 /nfs/dbraw/zinc/05/71/88/1064057188.db2.gz BTYNTHZEDDZZJG-KRWDZBQOSA-N 0 0 456.591 2.677 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC(N(C)S(=O)(=O)CC)CC2)n1Cc1ncn(-c2ccccc2)n1 ZINC001291507365 1064058036 /nfs/dbraw/zinc/05/80/36/1064058036.db2.gz RIUMSSNZGZSSLK-GOSISDBHSA-N 0 0 486.646 2.671 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001291507543 1064058321 /nfs/dbraw/zinc/05/83/21/1064058321.db2.gz VPCXXHUKKKQQRO-DLBZAZTESA-N 0 0 486.683 2.955 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(n3c(C)nc4ccccc43)CC2)n1CCS(=O)(=O)NC ZINC001291507521 1064058350 /nfs/dbraw/zinc/05/83/50/1064058350.db2.gz VDFXNGYEUJCTMP-INIZCTEOSA-N 0 0 459.620 2.840 20 0 JFADRN Cc1cc(C)cc(N2CC[C@@H](C(=O)N3CCN(CC(=O)Nc4ccccc4F)CC3)C2=O)c1 ZINC001296004449 1064059796 /nfs/dbraw/zinc/05/97/96/1064059796.db2.gz VWPODZRJRCUYEW-FQEVSTJZSA-N 0 0 452.530 2.578 20 0 JFADRN Cc1cn(C(C)(C)C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)nc1C(F)(F)F ZINC001296004674 1064060068 /nfs/dbraw/zinc/06/00/68/1064060068.db2.gz ZBWHQYPGWQVDFS-UHFFFAOYSA-N 0 0 455.456 2.867 20 0 JFADRN C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)c1ccc([S@](C)=O)cc1 ZINC001296005171 1064060116 /nfs/dbraw/zinc/06/01/16/1064060116.db2.gz DQDZUTOQEQBAQB-CANCMXDXSA-N 0 0 458.399 2.979 20 0 JFADRN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC001296006134 1064060870 /nfs/dbraw/zinc/06/08/70/1064060870.db2.gz LAJVVKDTEFXXMB-NTKDMRAZSA-N 0 0 459.543 2.520 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(NC(=O)COC)CC2)n1Cc1cccc(Cn2cccn2)c1 ZINC001291510889 1064062712 /nfs/dbraw/zinc/06/27/12/1064062712.db2.gz FQTYMDVUTCEEMJ-IBGZPJMESA-N 0 0 465.602 2.816 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(NC(=O)C3CC3)CC2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001291510935 1064062755 /nfs/dbraw/zinc/06/27/55/1064062755.db2.gz HBXRIWWPRONXNB-KRWDZBQOSA-N 0 0 473.643 2.880 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1CC1(COC)CCOCC1 ZINC001291511027 1064062962 /nfs/dbraw/zinc/06/29/62/1064062962.db2.gz IWJPKZGBSBPCFN-KRWDZBQOSA-N 0 0 474.606 2.930 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(NC(=O)COC)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001291511897 1064064327 /nfs/dbraw/zinc/06/43/27/1064064327.db2.gz YRDRKUTXPNISGK-KRWDZBQOSA-N 0 0 471.606 2.665 20 0 JFADRN CC[C@@H](C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001291512025 1064064658 /nfs/dbraw/zinc/06/46/58/1064064658.db2.gz BGSZDIGZOCYMQF-SJLPKXTDSA-N 0 0 492.646 2.785 20 0 JFADRN CC[C@@H](C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCS(=O)(=O)CC1 ZINC001291512490 1064065240 /nfs/dbraw/zinc/06/52/40/1064065240.db2.gz JSDSZKRCZRNTJT-NVXWUHKLSA-N 0 0 455.625 2.720 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(NC(C)=O)CC2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001291513234 1064065632 /nfs/dbraw/zinc/06/56/32/1064065632.db2.gz WIUNUXTYYLTDFP-ZDUSSCGKSA-N 0 0 454.501 2.817 20 0 JFADRN CC[C@H](C)c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1Cc1nnnn1CC1CC1 ZINC001291513353 1064065914 /nfs/dbraw/zinc/06/59/14/1064065914.db2.gz YFSSANQWEBXDGS-HNNXBMFYSA-N 0 0 459.599 2.730 20 0 JFADRN CC[C@@H](C)c1nnc(N2CCC(Nc3cccnn3)CC2)n1Cc1cccc(S(=O)(=O)NC)c1 ZINC001291513504 1064065940 /nfs/dbraw/zinc/06/59/40/1064065940.db2.gz AUGLYEIDDINZFV-QGZVFWFLSA-N 0 0 484.630 2.619 20 0 JFADRN 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CCC(O)(CC)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccc(C)c1 ZINC001292283635 1065057010 /nfs/dbraw/zinc/05/70/10/1065057010.db2.gz FTZMYTAPUXXTBY-LEWJYISDSA-N 0 0 491.658 2.812 20 0 JFADRN CCC(O)(CC)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C/C(C)=C\c1ccccc1 ZINC001292284329 1065057902 /nfs/dbraw/zinc/05/79/02/1065057902.db2.gz OLGFXOPHANAZII-OHUBLEDJSA-N 0 0 491.658 2.702 20 0 JFADRN CCC(O)(CC)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001292284803 1065058864 /nfs/dbraw/zinc/05/88/64/1065058864.db2.gz VVVJJQALHPPTHB-HXUWFJFHSA-N 0 0 477.556 2.526 20 0 JFADRN CCC(O)(CC)Cn1c(Cc2ccsc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC001292291296 1065062339 /nfs/dbraw/zinc/06/23/39/1065062339.db2.gz XSZLNDOIHLUKLN-UHFFFAOYSA-N 0 0 485.658 2.861 20 0 JFADRN CCC(O)(CC)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001292291900 1065063009 /nfs/dbraw/zinc/06/30/09/1065063009.db2.gz JKIXMAUPBHLVLG-UHFFFAOYSA-N 0 0 479.647 2.543 20 0 JFADRN CCC(O)(CC)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC001292291907 1065063025 /nfs/dbraw/zinc/06/30/25/1065063025.db2.gz JNWLZSKLNKOWJX-OAQYLSRUSA-N 0 0 469.638 2.816 20 0 JFADRN CCC(O)(CC)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001292292002 1065063330 /nfs/dbraw/zinc/06/33/30/1065063330.db2.gz MNZNUEWRJRKCGI-UHFFFAOYSA-N 0 0 462.545 2.556 20 0 JFADRN CCC(O)(CC)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001292293497 1065065362 /nfs/dbraw/zinc/06/53/62/1065065362.db2.gz KUXJJEYKMCJBFV-FCGDIQPGSA-N 0 0 490.649 2.847 20 0 JFADRN CCC(O)(CC)Cn1c(N2CC[C@H](Cc3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001292293773 1065065698 /nfs/dbraw/zinc/06/56/98/1065065698.db2.gz NYRPKSVQNVSZMU-NTKDMRAZSA-N 0 0 460.623 2.672 20 0 JFADRN CCC(O)(CC)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001292293501 1065065715 /nfs/dbraw/zinc/06/57/15/1065065715.db2.gz KUXJJEYKMCJBFV-RDGPPVDQSA-N 0 0 490.649 2.847 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)O1 ZINC001292296347 1065067949 /nfs/dbraw/zinc/06/79/49/1065067949.db2.gz KNSSHQOBDKTAOJ-HKARXFIJSA-N 0 0 464.611 2.867 20 0 JFADRN CCC(O)(CC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001292298297 1065069515 /nfs/dbraw/zinc/06/95/15/1065069515.db2.gz WJHSCXYZXBTGCN-WOJBJXKFSA-N 0 0 499.722 2.998 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCN(C(=O)COC)CC2)O1 ZINC001292300348 1065071455 /nfs/dbraw/zinc/07/14/55/1065071455.db2.gz MPNAVMBXAXXMTO-UQBPGWFLSA-N 0 0 487.601 2.605 20 0 JFADRN CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](COC)C2)O1 ZINC001292301020 1065072097 /nfs/dbraw/zinc/07/20/97/1065072097.db2.gz USQQLTWZZDRDKS-SELNLUPBSA-N 0 0 478.615 2.548 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3cccnc3)nnc2N2CCC(NS(=O)(=O)CC)CC2)O1 ZINC001292301898 1065072391 /nfs/dbraw/zinc/07/23/91/1065072391.db2.gz DBQJSHXPZYQADY-SIKLNZKXSA-N 0 0 462.620 2.596 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccccn3)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)O1 ZINC001292302599 1065073042 /nfs/dbraw/zinc/07/30/42/1065073042.db2.gz HVPBDFDTFURNPM-WMZHIEFXSA-N 0 0 476.647 2.938 20 0 JFADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC(C)C)C2CC2)O1 ZINC001292302771 1065073520 /nfs/dbraw/zinc/07/35/20/1065073520.db2.gz GNYQMGPLZBGZOI-ZRCGQRJVSA-N 0 0 483.679 2.974 20 0 JFADRN CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)c2scnc2C(F)(F)F)C1 ZINC001292302966 1065073725 /nfs/dbraw/zinc/07/37/25/1065073725.db2.gz BYEIYAYHDMVGIV-NSHDSACASA-N 0 0 450.483 2.655 20 0 JFADRN CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)c2c(F)cccc2-n2cccn2)C1 ZINC001292305335 1065075618 /nfs/dbraw/zinc/07/56/18/1065075618.db2.gz VYVNTCZZEVKNHF-MRXNPFEDSA-N 0 0 459.522 2.505 20 0 JFADRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N(C)[C@H]2CCS(=O)(=O)C2)O1 ZINC001292305786 1065075893 /nfs/dbraw/zinc/07/58/93/1065075893.db2.gz SAQYLNUNANHNIR-PRCFCKQXSA-N 0 0 478.615 2.933 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC(NS(=O)(=O)CC)CC2)O1 ZINC001292308185 1065077163 /nfs/dbraw/zinc/07/71/63/1065077163.db2.gz BATDCBGHAKQYLQ-NZQKXSOJSA-N 0 0 476.647 2.520 20 0 JFADRN CC[C@]1(C)CC[C@H](Cn2c(Cc3ccncc3)nnc2N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)O1 ZINC001292308927 1065077588 /nfs/dbraw/zinc/07/75/88/1065077588.db2.gz DWKCFNODQJSKCV-YRWQMTPXSA-N 0 0 484.645 2.979 20 0 JFADRN CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS(=O)(=O)CC2)O1 ZINC001292311500 1065078980 /nfs/dbraw/zinc/07/89/80/1065078980.db2.gz AVCQUDQWVRPLMB-OZQHCQBDSA-N 0 0 454.637 2.779 20 0 JFADRN CC[C@@]1(C)CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS(=O)(=O)CC2)O1 ZINC001292311497 1065078987 /nfs/dbraw/zinc/07/89/87/1065078987.db2.gz AVCQUDQWVRPLMB-FBAVSBLXSA-N 0 0 454.637 2.779 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(CC(C)C)C(=O)C2)O1 ZINC001292312286 1065079577 /nfs/dbraw/zinc/07/95/77/1065079577.db2.gz FSBYSIJNDVKZHJ-OEEHMVQOSA-N 0 0 463.623 2.654 20 0 JFADRN CC[C@@]1(C)CC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)O1 ZINC001292312495 1065080192 /nfs/dbraw/zinc/08/01/92/1065080192.db2.gz GZRFEUONHZLWEI-KNQAVFIVSA-N 0 0 498.049 2.940 20 0 JFADRN CC[C@@]1(C)CC[C@H](Cn2c(COc3ccccc3F)nnc2N2CCN(CC(=O)N(C)C)CC2)O1 ZINC001292313383 1065080746 /nfs/dbraw/zinc/08/07/46/1065080746.db2.gz NMFGAGXUAKFPHA-CLOONOSVSA-N 0 0 488.608 2.554 20 0 JFADRN CC[C@]1(C)CC[C@H](Cn2c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc2[C@@]2(OC(C)C)CCOC2)O1 ZINC001292313470 1065080937 /nfs/dbraw/zinc/08/09/37/1065080937.db2.gz OPRPNNYVMQCGBH-ZWMFTONKSA-N 0 0 486.679 2.924 20 0 JFADRN CC[C@]1(C)CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C(=O)OC)CC2)O1 ZINC001292313509 1065081013 /nfs/dbraw/zinc/08/10/13/1065081013.db2.gz OYHRHJQCSDOYDX-KEXUJGGDSA-N 0 0 450.580 2.739 20 0 JFADRN CC[C@@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(OC)c(OC)c2)C1 ZINC001292316728 1065083113 /nfs/dbraw/zinc/08/31/13/1065083113.db2.gz JHJFHATVKUEJEZ-AOMKIAJQSA-N 0 0 465.620 2.775 20 0 JFADRN CC[C@]1(C)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001292319264 1065083667 /nfs/dbraw/zinc/08/36/67/1065083667.db2.gz QTTLOOZGLUPBHP-NHCUHLMSSA-N 0 0 470.542 2.723 20 0 JFADRN CC[C@@]1(C)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001292319266 1065083722 /nfs/dbraw/zinc/08/37/22/1065083722.db2.gz QTTLOOZGLUPBHP-SFTDATJTSA-N 0 0 470.542 2.723 20 0 JFADRN CC[C@@]1(C)CCN(c2nnc(-c3ccccc3F)n2CCNS(=O)(=O)Cc2ccon2)C1 ZINC001292325639 1065085878 /nfs/dbraw/zinc/08/58/78/1065085878.db2.gz BHXZIMDAQOCQKP-NRFANRHFSA-N 0 0 462.551 2.818 20 0 JFADRN O=C(NCCc1cccs1)C1CCN(C(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 ZINC001292325743 1065086351 /nfs/dbraw/zinc/08/63/51/1065086351.db2.gz KJSJEKOLCNBHMA-UHFFFAOYSA-N 0 0 456.536 2.956 20 0 JFADRN CC[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCS2)C1 ZINC001292330148 1065087062 /nfs/dbraw/zinc/08/70/62/1065087062.db2.gz GPSDQSWRAFYQNI-SQGPQFPESA-N 0 0 457.666 2.523 20 0 JFADRN CC[C@@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2cccc(C)c2)C1 ZINC001292329649 1065087138 /nfs/dbraw/zinc/08/71/38/1065087138.db2.gz BKAIDAMIRJGHSY-OFNKIYASSA-N 0 0 477.631 2.625 20 0 JFADRN CC[C@@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(Cl)ccc2OC)C1 ZINC001292330540 1065087497 /nfs/dbraw/zinc/08/74/97/1065087497.db2.gz JAVMEOGMCRVWSV-KNQAVFIVSA-N 0 0 498.049 2.948 20 0 JFADRN CC[C@]1(C)CCN(c2nnc(-c3cnn(C)c3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 ZINC001292332708 1065088875 /nfs/dbraw/zinc/08/88/75/1065088875.db2.gz LOHZBTKLKXTOQN-HXUWFJFHSA-N 0 0 463.633 2.653 20 0 JFADRN CC[C@]1(C)CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001292341162 1065091081 /nfs/dbraw/zinc/09/10/81/1065091081.db2.gz GIWUJEXFSVBYFH-OAQYLSRUSA-N 0 0 465.645 2.721 20 0 JFADRN CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@@H]2CCCO2)CCO1 ZINC001292342771 1065091352 /nfs/dbraw/zinc/09/13/52/1065091352.db2.gz GWUZBIYGIKYMSQ-FDDCHVKYSA-N 0 0 458.563 2.516 20 0 JFADRN CC[C@]1(C)CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCCOC)cc2)CCO1 ZINC001292342776 1065091395 /nfs/dbraw/zinc/09/13/95/1065091395.db2.gz GZIASYQWXVNYAN-XMMPIXPASA-N 0 0 457.575 2.593 20 0 JFADRN CC[C@@]1(C)CN(c2nnc(C(=O)Nc3ccccn3)n2CC(F)(F)Br)CCO1 ZINC001292343883 1065092272 /nfs/dbraw/zinc/09/22/72/1065092272.db2.gz NCHUNIQEBKSQQZ-INIZCTEOSA-N 0 0 459.295 2.918 20 0 JFADRN CC[C@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC[C@@H]2NC(=O)NC2=O)C1 ZINC001292344246 1065092505 /nfs/dbraw/zinc/09/25/05/1065092505.db2.gz OQXHRQFLJFQBEL-WIBJQZJXSA-N 0 0 489.621 2.663 20 0 JFADRN CC[C@]1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2csc(-c3ccco3)n2)CCO1 ZINC001292344871 1065092800 /nfs/dbraw/zinc/09/28/00/1065092800.db2.gz BVCOKBKSJSBSNV-JLTOFOAXSA-N 0 0 480.616 2.658 20 0 JFADRN CC[C@@]1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(OC3CCCC3)c2)CCO1 ZINC001292344886 1065093179 /nfs/dbraw/zinc/09/31/79/1065093179.db2.gz CCUWAUULJLDODI-HXOBKFHXSA-N 0 0 492.646 2.658 20 0 JFADRN 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CCc1nnc(Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C)c3ccccc3C2)s1 ZINC001292785543 1065547006 /nfs/dbraw/zinc/54/70/06/1065547006.db2.gz IAWWJDYLNGPGFK-MRXNPFEDSA-N 0 0 457.604 2.921 20 0 JFADRN CCc1nnc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CC2CCOCC2)s1 ZINC001292785296 1065547021 /nfs/dbraw/zinc/54/70/21/1065547021.db2.gz KFYRHQIZDWYMJC-UHFFFAOYSA-N 0 0 476.628 2.674 20 0 JFADRN CCc1nnc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](Oc3ccccc3)C2)s1 ZINC001292786257 1065548286 /nfs/dbraw/zinc/54/82/86/1065548286.db2.gz LAURUWGLCIXLGC-QGZVFWFLSA-N 0 0 455.588 2.926 20 0 JFADRN CCc1nnc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(C(N)=O)CC2)s1 ZINC001292786867 1065549545 /nfs/dbraw/zinc/54/95/45/1065549545.db2.gz NZMWSTSUHNFUBY-ZDUSSCGKSA-N 0 0 459.551 2.721 20 0 JFADRN CCc1nnc(Cn2c([C@H](CC)c3ccccc3)nnc2N(C)CC(=O)N2CCOCC2)s1 ZINC001292787234 1065549929 /nfs/dbraw/zinc/54/99/29/1065549929.db2.gz PSTBMBJUVFGBEK-GOSISDBHSA-N 0 0 469.615 2.577 20 0 JFADRN Cc1occc1-c1cc(NC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)n(CCO)n1 ZINC001292788663 1065550419 /nfs/dbraw/zinc/55/04/19/1065550419.db2.gz LFZDQGBZMMVVBM-UHFFFAOYSA-N 0 0 458.540 2.555 20 0 JFADRN CCc1nnc(Cn2c(-c3ccccc3F)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)s1 ZINC001292790306 1065550980 /nfs/dbraw/zinc/55/09/80/1065550980.db2.gz BTHSCCOCLDQOGK-AWEZNQCLSA-N 0 0 464.592 2.950 20 0 JFADRN CCc1nnc(Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)s1 ZINC001292790371 1065551426 /nfs/dbraw/zinc/55/14/26/1065551426.db2.gz DQWGVCDHVVENJN-HNNXBMFYSA-N 0 0 485.614 2.870 20 0 JFADRN CCc1nnc(Cn2c([C@H]3CCCCO3)nnc2N2CCN(C(=O)N(CC)CC)CC2)s1 ZINC001292791035 1065552959 /nfs/dbraw/zinc/55/29/59/1065552959.db2.gz BVTWOQJAMJBWFN-MRXNPFEDSA-N 0 0 462.624 2.566 20 0 JFADRN CCc1nnc(Cn2c(C3CCC3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)s1 ZINC001292791230 1065552978 /nfs/dbraw/zinc/55/29/78/1065552978.db2.gz HMNFSAPTBIRERV-UHFFFAOYSA-N 0 0 457.526 2.903 20 0 JFADRN CCc1nnc(Cn2c(CCOc3ccccc3)nnc2N2CCC[C@@H](C(=O)OC)C2)s1 ZINC001292795116 1065554910 /nfs/dbraw/zinc/55/49/10/1065554910.db2.gz VZRCQNYGGNILBO-MRXNPFEDSA-N 0 0 456.572 2.751 20 0 JFADRN CCc1nnc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC(F)(F)F)CC2CC2)s1 ZINC001292795167 1065555338 /nfs/dbraw/zinc/55/53/38/1065555338.db2.gz ASOBHEDIOMSHHS-CYBMUJFWSA-N 0 0 478.566 2.811 20 0 JFADRN CCc1nnc(Cn2c(Cc3ccccc3C)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)s1 ZINC001292795412 1065555828 /nfs/dbraw/zinc/55/58/28/1065555828.db2.gz DXQZMLPUCDOTAD-KRWDZBQOSA-N 0 0 460.629 2.653 20 0 JFADRN CCc1nnc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)c3ccc(O)cc3)CC2)s1 ZINC001292797171 1065557391 /nfs/dbraw/zinc/55/73/91/1065557391.db2.gz YRWRMBZYDYDPBW-UHFFFAOYSA-N 0 0 455.588 2.607 20 0 JFADRN CCc1nnc(Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)s1 ZINC001292799013 1065559098 /nfs/dbraw/zinc/55/90/98/1065559098.db2.gz WPOPGBBMJTVGAW-INIZCTEOSA-N 0 0 455.588 2.720 20 0 JFADRN CCc1nnc(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)s1 ZINC001292799002 1065559162 /nfs/dbraw/zinc/55/91/62/1065559162.db2.gz WKSOUCGKWSGJPI-JOCHJYFZSA-N 0 0 455.588 2.638 20 0 JFADRN CCc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@@H](c1ccccc1OC)N1CCCC1 ZINC001292804026 1065561817 /nfs/dbraw/zinc/56/18/17/1065561817.db2.gz XGLMKCGSXANEKB-HBFSDRIKSA-N 0 0 463.648 2.944 20 0 JFADRN CCc1nnc(N(C)[C@@H](C)CS(=O)(=O)CC)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001292807064 1065562226 /nfs/dbraw/zinc/56/22/26/1065562226.db2.gz UFVHACHXYLEPLE-IRXDYDNUSA-N 0 0 457.641 2.747 20 0 JFADRN CC(C)C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1nc2ccccc2[nH]1 ZINC001292814061 1065564851 /nfs/dbraw/zinc/56/48/51/1065564851.db2.gz CTKWFYGSEMXNIB-UXHICEINSA-N 0 0 453.518 2.508 20 0 JFADRN CCc1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CCC(=O)N1CCCCC1 ZINC001292815614 1065565255 /nfs/dbraw/zinc/56/52/55/1065565255.db2.gz ZURBTBVULRFWLX-UHFFFAOYSA-N 0 0 452.603 2.984 20 0 JFADRN CCc1nnc(N(C)CC(=O)Nc2ccc(C)cc2)n1CCNS(=O)(=O)c1ccc(C)s1 ZINC001292817196 1065566279 /nfs/dbraw/zinc/56/62/79/1065566279.db2.gz OQJQDNDGACEFEK-UHFFFAOYSA-N 0 0 476.628 2.572 20 0 JFADRN CCc1nnc(N(C)Cc2cc(Br)cs2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001292823865 1065567147 /nfs/dbraw/zinc/56/71/47/1065567147.db2.gz GJAMPKMPJSYAEE-LBPRGKRZSA-N 0 0 462.439 2.582 20 0 JFADRN CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2CSC[C@H]2C(=O)Nc2cccc(F)c2)C1 ZINC001292829607 1065568898 /nfs/dbraw/zinc/56/88/98/1065568898.db2.gz AXNQAGDZNXUGFT-SJORKVTESA-N 0 0 453.536 2.692 20 0 JFADRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)[C@H](Cc2c[nH]cn2)NC(=O)CC(C)C)c1C ZINC001292831575 1065569928 /nfs/dbraw/zinc/56/99/28/1065569928.db2.gz UOEBDCATJOTCFO-VQTJNVASSA-N 0 0 457.600 2.640 20 0 JFADRN CCc1nnc(N(C)Cc2ccc(F)c(C(F)(F)F)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001292832635 1065570462 /nfs/dbraw/zinc/57/04/62/1065570462.db2.gz GLZNICSPQYKHRU-CQSZACIVSA-N 0 0 463.501 2.916 20 0 JFADRN CCc1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1CCNS(=O)(=O)c1ccc(C)s1 ZINC001292834369 1065570812 /nfs/dbraw/zinc/57/08/12/1065570812.db2.gz VAXHWUQELZOBOD-PMERELPUSA-N 0 0 481.669 2.563 20 0 JFADRN CCc1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC001292834411 1065570892 /nfs/dbraw/zinc/57/08/92/1065570892.db2.gz VQRYXQGBAUCGNH-SFHVURJKSA-N 0 0 484.626 2.549 20 0 JFADRN CCc1nnc(N(C)Cc2ccc(OC)c(O)c2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 ZINC001292834603 1065571250 /nfs/dbraw/zinc/57/12/50/1065571250.db2.gz ZITHAPYVOAJJNR-QGZVFWFLSA-N 0 0 452.559 2.860 20 0 JFADRN O=C(Cn1cnnn1)N1CCN(C(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)CC1 ZINC001292836279 1065571702 /nfs/dbraw/zinc/57/17/02/1065571702.db2.gz CQVVMVFPKZMEBH-FQEVSTJZSA-N 0 0 456.959 2.531 20 0 JFADRN Cc1cccc(CN(Cc2ccccn2)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1 ZINC001292837070 1065571722 /nfs/dbraw/zinc/57/17/22/1065571722.db2.gz ZXYZUGFIADIQRQ-UHFFFAOYSA-N 0 0 455.536 2.847 20 0 JFADRN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cnn3c2N[C@@H](C2CC2)C[C@H]3C(F)F)cc1 ZINC001292837207 1065572079 /nfs/dbraw/zinc/57/20/79/1065572079.db2.gz JOWVHWJSDUVEOX-LQAWEQHXSA-N 0 0 453.515 2.683 20 0 JFADRN CCc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC001292840941 1065573057 /nfs/dbraw/zinc/57/30/57/1065573057.db2.gz RDQFWZNXFRPGSV-UHFFFAOYSA-N 0 0 490.534 2.578 20 0 JFADRN Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)C2CCN(Cc3csc(C)n3)CC2)s1 ZINC001292841928 1065573779 /nfs/dbraw/zinc/57/37/79/1065573779.db2.gz RYDGGZNLYYBJPP-MRXNPFEDSA-N 0 0 451.643 2.969 20 0 JFADRN CCc1nnc(N(C)Cc2csc(Br)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 ZINC001292842060 1065573835 /nfs/dbraw/zinc/57/38/35/1065573835.db2.gz DSJMXLHGWFYBGS-CYBMUJFWSA-N 0 0 456.410 2.796 20 0 JFADRN CCc1nnc(N(C)Cc2nc3ccccc3c(=O)[nH]2)n1CCn1cc(Br)cn1 ZINC001292843783 1065574313 /nfs/dbraw/zinc/57/43/13/1065574313.db2.gz OIJXJGCSOYEUBU-UHFFFAOYSA-N 0 0 457.336 2.785 20 0 JFADRN CSCC[C@@H](NC(=O)[C@H](C)NC(=O)c1ccccc1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC001292845610 1065574695 /nfs/dbraw/zinc/57/46/95/1065574695.db2.gz CPNPWARMJXPHTH-XJKSGUPXSA-N 0 0 456.524 2.528 20 0 JFADRN O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC001292855969 1065576929 /nfs/dbraw/zinc/57/69/29/1065576929.db2.gz BKWABCJBGIOZIN-UHFFFAOYSA-N 0 0 453.451 2.543 20 0 JFADRN CCc1nnc(N(C)CCOc2ccccc2OC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O ZINC001292866876 1065580248 /nfs/dbraw/zinc/58/02/48/1065580248.db2.gz DTCIFIMQYFMRTP-RTBURBONSA-N 0 0 477.631 2.569 20 0 JFADRN CCc1nnc(N(CC)Cc2nc3ccsc3c(=O)[nH]2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001292874134 1065581744 /nfs/dbraw/zinc/58/17/44/1065581744.db2.gz BHCRHIBKVHTWDE-HNNXBMFYSA-N 0 0 481.573 2.933 20 0 JFADRN CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001292877312 1065582626 /nfs/dbraw/zinc/58/26/26/1065582626.db2.gz BPCNSERONIVYAX-BTYIYWSLSA-N 0 0 450.923 2.809 20 0 JFADRN CCc1nnc(N(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)n1Cc1ccc(C(N)=O)nc1 ZINC001292880139 1065583968 /nfs/dbraw/zinc/58/39/68/1065583968.db2.gz XSYCJDRQCDVCLG-UHFFFAOYSA-N 0 0 464.961 2.976 20 0 JFADRN O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCC[C@H]1C(=O)OCc1ccccc1 ZINC001292880239 1065584008 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Cc1ccc(CSCCn2c([C@@H]3CCCCO3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 ZINC001289700732 1061313485 /nfs/dbraw/zinc/31/34/85/1061313485.db2.gz JMFFRMBGPRXNSQ-FQEVSTJZSA-N 0 0 479.672 2.843 20 0 JFADRN Cc1ccc(CSCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3cnccn3)CC2)cc1 ZINC001289701784 1061314572 /nfs/dbraw/zinc/31/45/72/1061314572.db2.gz VRMZLWWNLXDIKN-UHFFFAOYSA-N 0 0 480.642 2.775 20 0 JFADRN CN(CCc1nccc(C(F)(F)F)n1)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 ZINC001289703648 1061315011 /nfs/dbraw/zinc/31/50/11/1061315011.db2.gz HMBCNXQLWICUPF-KDOFPFPSSA-N 0 0 452.481 2.618 20 0 JFADRN CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(C)n(C)c2=O)[C@@H](C)C1 ZINC001286883738 1061315062 /nfs/dbraw/zinc/31/50/62/1061315062.db2.gz PBFPOYKRTNJOIU-FQEVSTJZSA-N 0 0 478.597 2.586 20 0 JFADRN CC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)[C@H](C)C1 ZINC001286883643 1061315171 /nfs/dbraw/zinc/31/51/71/1061315171.db2.gz SAZRGEQGCWGOHB-YLJYHZDGSA-N 0 0 486.583 2.721 20 0 JFADRN 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Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCC(=O)N2CCCCCC2)cc1C ZINC001289800858 1061435705 /nfs/dbraw/zinc/43/57/05/1061435705.db2.gz BFEIFDZQFWLVQR-HXUWFJFHSA-N 0 0 468.602 2.578 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cc(F)cc(F)c2)C1 ZINC001286907378 1061436502 /nfs/dbraw/zinc/43/65/02/1061436502.db2.gz KFRIAQWOLDUQHG-ZJSXRUAMSA-N 0 0 477.556 2.945 20 0 JFADRN CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)CCC(C)C)C1 ZINC001286907372 1061436572 /nfs/dbraw/zinc/43/65/72/1061436572.db2.gz QZHZZGLTUGMEMG-RDPSFJRHSA-N 0 0 491.658 2.641 20 0 JFADRN CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CCN2CCOC[C@H]2C)C1 ZINC001286907355 1061436617 /nfs/dbraw/zinc/43/66/17/1061436617.db2.gz QWDMDKMHANAPPU-OXQOHEQNSA-N 0 0 491.434 2.533 20 0 JFADRN Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCNC(=O)OC(C)(C)C)cc1C ZINC001289802562 1061438960 /nfs/dbraw/zinc/43/89/60/1061438960.db2.gz KHGQUVCZRFXTRH-UHFFFAOYSA-N 0 0 472.590 2.700 20 0 JFADRN 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CCCn1c(CCC(=O)NCc2[nH]cnc2C)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC001294284568 1061774397 /nfs/dbraw/zinc/77/43/97/1061774397.db2.gz XKCQWWXRDQFGEF-UHFFFAOYSA-N 0 0 458.588 2.511 20 0 JFADRN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2cn(C)c(=O)cc2C)cc1 ZINC001294284408 1061774459 /nfs/dbraw/zinc/77/44/59/1061774459.db2.gz UZXLYRZSXIABCB-QFIPXVFZSA-N 0 0 451.548 2.756 20 0 JFADRN Cc1cccc(OCc2nnc(N3C[C@@H](C)[C@H](N4CCOCC4)C3)n2CCN(C)CC(F)(F)F)c1 ZINC001290054906 1061774853 /nfs/dbraw/zinc/77/48/53/1061774853.db2.gz LZCBYNZQSNVDHN-TZIWHRDSSA-N 0 0 496.578 2.817 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1CC(=O)NC1CCCCC1 ZINC001286975173 1061774850 /nfs/dbraw/zinc/77/48/50/1061774850.db2.gz BVADIZFRNZUVFH-IRXDYDNUSA-N 0 0 453.653 2.718 20 0 JFADRN Cc1cccc(OCc2nnc(N(CCS(C)(=O)=O)C3CC3)n2C[C@]2(O)CCC[C@@H]2C)c1 ZINC001290055494 1061775260 /nfs/dbraw/zinc/77/52/60/1061775260.db2.gz MQRNOJRZJAMZCH-FDDCHVKYSA-N 0 0 462.616 2.730 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)OC3CCCC3)n2CCS(=O)(=O)N2CCSCC2)c1 ZINC001290054913 1061775351 /nfs/dbraw/zinc/77/53/51/1061775351.db2.gz IRZHBUUWKNVGMK-UHFFFAOYSA-N 0 0 495.671 2.855 20 0 JFADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@@H]3c4c[nH]nc4CN3C(=O)OC(C)(C)C)C2)c1 ZINC001294290115 1061776017 /nfs/dbraw/zinc/77/60/17/1061776017.db2.gz DGCBALGBLCAESO-XOBRGWDASA-N 0 0 457.531 2.614 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC001286975352 1061776595 /nfs/dbraw/zinc/77/65/95/1061776595.db2.gz DFYMOLIDCREKCW-LLGFUMIMSA-N 0 0 489.642 2.654 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1CC1(c2ccc(F)cc2)CCOCC1 ZINC001286975589 1061776942 /nfs/dbraw/zinc/77/69/42/1061776942.db2.gz MBBGDLXIBKNNBM-GUDVDZBRSA-N 0 0 494.633 2.927 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(CN2CCCC2=O)n1[C@H]1C[C@H](c2ccccc2F)C1)S(C)(=O)=O ZINC001286975412 1061776991 /nfs/dbraw/zinc/77/69/91/1061776991.db2.gz DTQQGWVIHVMLJM-MHORFTMASA-N 0 0 477.606 2.916 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1[C@H]1C[C@H](c2ccccc2F)C1 ZINC001286975411 1061777036 /nfs/dbraw/zinc/77/70/36/1061777036.db2.gz DTQQGWVIHVMLJM-BRSBDYLESA-N 0 0 477.606 2.916 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2CCS(=O)(=O)N(C)C)c1 ZINC001290057887 1061777131 /nfs/dbraw/zinc/77/71/31/1061777131.db2.gz AARWNGPXDZASHL-UHFFFAOYSA-N 0 0 475.537 2.836 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[C@@H]1CCOC1 ZINC001286975654 1061777565 /nfs/dbraw/zinc/77/75/65/1061777565.db2.gz FXTGSRWVRGYBTQ-GUDVDZBRSA-N 0 0 459.616 2.966 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cnn(C)c1 ZINC001286975728 1061778635 /nfs/dbraw/zinc/77/86/35/1061778635.db2.gz MLOGDEOAKGEDAF-HUUCEWRRSA-N 0 0 450.996 2.562 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2C[C@](C)(O)C2CC2)c1 ZINC001290058871 1061778876 /nfs/dbraw/zinc/77/88/76/1061778876.db2.gz HJTJJUZWRJCCHZ-AOMKIAJQSA-N 0 0 481.519 2.831 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1Cc1cccc(Br)n1 ZINC001286975939 1061779648 /nfs/dbraw/zinc/77/96/48/1061779648.db2.gz DUCBCEVPGLCWKO-KGLIPLIRSA-N 0 0 479.404 2.804 20 0 JFADRN CCCCn1cc(Cn2c(-c3ccc(C)o3)nnc2N2CCO[C@@H](CNC(C)=O)C2)c(C)n1 ZINC001294295140 1061779781 /nfs/dbraw/zinc/77/97/81/1061779781.db2.gz IMVZNEYLEHYNMW-FQEVSTJZSA-N 0 0 455.563 2.541 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n2CC(=O)N(C)C)c1 ZINC001290059564 1061779895 /nfs/dbraw/zinc/77/98/95/1061779895.db2.gz LGFAAFUQLFFMEY-RTBURBONSA-N 0 0 486.617 2.993 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccnc2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001286975983 1061780135 /nfs/dbraw/zinc/78/01/35/1061780135.db2.gz FCMVUSTVBKNGPP-QZTJIDSGSA-N 0 0 484.626 2.542 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@H](C)[C@H](C)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC001290059787 1061780366 /nfs/dbraw/zinc/78/03/66/1061780366.db2.gz NJBJDXNCRGQXFZ-ZCNNSNEGSA-N 0 0 461.632 2.929 20 0 JFADRN CCCCn1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCS(=O)CC2)c(C)n1 ZINC001294295554 1061780781 /nfs/dbraw/zinc/78/07/81/1061780781.db2.gz MIGYIWOEZWVPPY-UHFFFAOYSA-N 0 0 480.436 2.958 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccc2c(c1)OC(C)(C)O2 ZINC001286976106 1061781141 /nfs/dbraw/zinc/78/11/41/1061781141.db2.gz HVZATHGVYFXJQW-RVKKMQEKSA-N 0 0 464.588 2.943 20 0 JFADRN CCCCn1cc(Cn2c(-c3ccc(C)o3)nnc2N2CCC(OCC(N)=O)CC2)c(C)n1 ZINC001294296022 1061781632 /nfs/dbraw/zinc/78/16/32/1061781632.db2.gz QBJZYNKOKLPIFR-UHFFFAOYSA-N 0 0 455.563 2.671 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@]2(O)CCO[C@H]2C)c1 ZINC001290062186 1061781878 /nfs/dbraw/zinc/78/18/78/1061781878.db2.gz ABSWMXKJSJOPMY-OXJNMPFZSA-N 0 0 470.492 2.599 20 0 JFADRN C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC001290062145 1061781974 /nfs/dbraw/zinc/78/19/74/1061781974.db2.gz YMRMYSKWQDEXEO-OCCSQVGLSA-N 0 0 457.383 2.916 20 0 JFADRN CCCCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C)[C@@H]2CC)c(C)n1 ZINC001294296176 1061782213 /nfs/dbraw/zinc/78/22/13/1061782213.db2.gz NSULCGPBFSSFKG-AYBZRNKSSA-N 0 0 451.641 2.866 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCCNC(=O)OC(C)(C)C)c1 ZINC001290062200 1061782471 /nfs/dbraw/zinc/78/24/71/1061782471.db2.gz ALKPRTXIWQLWRB-VWLOTQADSA-N 0 0 484.601 2.797 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnccn2)n1CCc1nc(C(F)(F)F)cs1 ZINC001286976282 1061782684 /nfs/dbraw/zinc/78/26/84/1061782684.db2.gz CTGDPJSIQDBMNM-RYUDHWBXSA-N 0 0 489.549 2.711 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCc4nn(C)c(=O)cc4C3)n2CCOC(C)(C)C)c1 ZINC001290062285 1061782933 /nfs/dbraw/zinc/78/29/33/1061782933.db2.gz DBPOUEPVDZJJDL-UHFFFAOYSA-N 0 0 452.559 2.637 20 0 JFADRN CCCCn1c(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294296590 1061783882 /nfs/dbraw/zinc/78/38/82/1061783882.db2.gz MZKLDTAWINHURO-NBGIEHNGSA-N 0 0 476.666 2.688 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@H]4OC(=O)O[C@@H]4C3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001290062443 1061783944 /nfs/dbraw/zinc/78/39/44/1061783944.db2.gz IFXZPNAZNOTWFR-QZTJIDSGSA-N 0 0 473.530 2.804 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@H]4OC(=O)O[C@@H]4C3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001290062445 1061783961 /nfs/dbraw/zinc/78/39/61/1061783961.db2.gz IFXZPNAZNOTWFR-ZWKOTPCHSA-N 0 0 473.530 2.804 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2C[C@H]2CCOC[C@H]2C)c1 ZINC001290062475 1061784471 /nfs/dbraw/zinc/78/44/71/1061784471.db2.gz ITSWJFXEGWMEQK-WOJBJXKFSA-N 0 0 491.658 2.698 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC(C)(C)C)n1CC(=O)N(C)Cc1ccccc1 ZINC001286976554 1061784466 /nfs/dbraw/zinc/78/44/66/1061784466.db2.gz PAZSFLMTOGEWEB-MSOLQXFVSA-N 0 0 463.648 2.783 20 0 JFADRN CCCCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)S[C@@H](C)C2)c(C)n1 ZINC001294297144 1061784947 /nfs/dbraw/zinc/78/49/47/1061784947.db2.gz VPQJJABCOHHQPX-UXLLHSPISA-N 0 0 469.681 2.572 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCO[C@@H]2CCOC2)CC1 ZINC001286976603 1061784940 /nfs/dbraw/zinc/78/49/40/1061784940.db2.gz GZYSNOYDUXWBPQ-GOSISDBHSA-N 0 0 477.009 2.884 20 0 JFADRN CCCCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)S[C@H](C)C2)c(C)n1 ZINC001294297143 1061785044 /nfs/dbraw/zinc/78/50/44/1061785044.db2.gz VPQJJABCOHHQPX-INMHGKMJSA-N 0 0 469.681 2.572 20 0 JFADRN Cc1nnc(CCCn2c(COc3cccc(C)c3)nnc2N2CCC(S(C)(=O)=O)CC2)s1 ZINC001290062719 1061785626 /nfs/dbraw/zinc/78/56/26/1061785626.db2.gz NCUXIBVLEFIZRI-UHFFFAOYSA-N 0 0 490.655 2.972 20 0 JFADRN CCCCn1cc(Cn2c([C@@H]3COc4ccccc4O3)nnc2N(C)C[C@@H](C)C(=O)NC)c(C)n1 ZINC001294297809 1061786653 /nfs/dbraw/zinc/78/66/53/1061786653.db2.gz HTJUELJOGMLNPZ-VGSWGCGISA-N 0 0 481.601 2.962 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(NC(N)=O)cc1 ZINC001286976913 1061787255 /nfs/dbraw/zinc/78/72/55/1061787255.db2.gz PYXNQCKGQKSHOX-GJZGRUSLSA-N 0 0 476.628 2.727 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(NC(N)=O)cc1 ZINC001286976911 1061787273 /nfs/dbraw/zinc/78/72/73/1061787273.db2.gz PYXNQCKGQKSHOX-CABCVRRESA-N 0 0 476.628 2.727 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[S@](=O)C(C)(C)C)c1 ZINC001290063139 1061787304 /nfs/dbraw/zinc/78/73/04/1061787304.db2.gz UEJHZCQTQVFBTL-HKBQPEDESA-N 0 0 482.672 2.726 20 0 JFADRN CCCCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnc(C)s2)c(C)n1 ZINC001294299723 1061787725 /nfs/dbraw/zinc/78/77/25/1061787725.db2.gz SDUVQKCUTMALQF-KRWDZBQOSA-N 0 0 477.660 2.935 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(C)CN(C)C2=O)c1 ZINC001290063397 1061787859 /nfs/dbraw/zinc/78/78/59/1061787859.db2.gz WDQFOBOALFSRJT-BVZFJXPGSA-N 0 0 484.601 2.747 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1CCCOc1ccc(F)cc1 ZINC001286976897 1061787970 /nfs/dbraw/zinc/78/79/70/1061787970.db2.gz FMKMIDITODIJIJ-HZPDHXFCSA-N 0 0 464.567 2.545 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(N4CCCCC4=O)CC3)n2CCNC(=O)C(C)C)c1 ZINC001290063711 1061788384 /nfs/dbraw/zinc/78/83/84/1061788384.db2.gz ZPPPFQLTTMPHRU-UHFFFAOYSA-N 0 0 482.629 2.919 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 ZINC001290063720 1061788555 /nfs/dbraw/zinc/78/85/55/1061788555.db2.gz ZWORJTYBDHCGJT-IFMALSPDSA-N 0 0 491.658 2.841 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(C(C)(C)C)n2CC(=O)NCCc2ccccc2)CC1 ZINC001286977005 1061788724 /nfs/dbraw/zinc/78/87/24/1061788724.db2.gz KQRFOICVTSFLKD-UHFFFAOYSA-N 0 0 454.619 2.629 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001286977023 1061788818 /nfs/dbraw/zinc/78/88/18/1061788818.db2.gz KSEINCGPQQHPMC-IAGOWNOFSA-N 0 0 474.693 2.626 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001286977026 1061788841 /nfs/dbraw/zinc/78/88/41/1061788841.db2.gz KSEINCGPQQHPMC-IRXDYDNUSA-N 0 0 474.693 2.626 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2=CCCCC2)CC1 ZINC001286977013 1061788880 /nfs/dbraw/zinc/78/88/80/1061788880.db2.gz IWOBZKGQNFNDKQ-LJQANCHMSA-N 0 0 463.648 2.765 20 0 JFADRN Cc1cc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)n(Cc2ccccn2)n1 ZINC001294300241 1061789166 /nfs/dbraw/zinc/78/91/66/1061789166.db2.gz WESKUPZNYWUPKZ-UHFFFAOYSA-N 0 0 451.508 2.959 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CCCn1cnc2ccccc21 ZINC001286977133 1061789169 /nfs/dbraw/zinc/78/91/69/1061789169.db2.gz LQMNXFCCCXCMJH-FUHIMQAGSA-N 0 0 460.604 2.827 20 0 JFADRN CC[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)[C@@H](CC)CN1C(C)=O ZINC001294301507 1061789193 /nfs/dbraw/zinc/78/91/93/1061789193.db2.gz DGTUQQIAIWXFIK-UXHICEINSA-N 0 0 451.633 2.900 20 0 JFADRN O=C(c1c[nH]nc1[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC001290064941 1061789417 /nfs/dbraw/zinc/78/94/17/1061789417.db2.gz MQNJDRFZFGRRMX-AWEZNQCLSA-N 0 0 459.355 2.715 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1ccnc(N2CCCCC2)c1)S(C)(=O)=O ZINC001286977222 1061790005 /nfs/dbraw/zinc/79/00/05/1061790005.db2.gz RCOCIDNSQMWGIL-VQTJNVASSA-N 0 0 497.669 2.955 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(N(C)C)nc2)c1 ZINC001290066341 1061790360 /nfs/dbraw/zinc/79/03/60/1061790360.db2.gz LFVLMYBPTDCMDV-OAQYLSRUSA-N 0 0 484.626 2.688 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1CCc1ccc2c[nH]nc2c1 ZINC001286977394 1061790427 /nfs/dbraw/zinc/79/04/27/1061790427.db2.gz RUIPOASWRFNIRZ-GJYPPUQNSA-N 0 0 460.604 2.549 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2CCC(C)(F)F)c1 ZINC001290066742 1061790905 /nfs/dbraw/zinc/79/09/05/1061790905.db2.gz PAOAMAOZTNJQFL-QGZVFWFLSA-N 0 0 471.574 2.976 20 0 JFADRN CCCCn1cc(Cn2c(CN3CCCC3=O)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)c(C)n1 ZINC001294303765 1061791401 /nfs/dbraw/zinc/79/14/01/1061791401.db2.gz GXOAFTBDRRPUCG-SFHVURJKSA-N 0 0 496.582 2.827 20 0 JFADRN CCCCn1cc(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)c(C)n1 ZINC001294304502 1061791776 /nfs/dbraw/zinc/79/17/76/1061791776.db2.gz OPEPHKVSFLNYSW-NRFANRHFSA-N 0 0 474.606 2.985 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2nccc(C(F)F)n2)c1 ZINC001290067407 1061792405 /nfs/dbraw/zinc/79/24/05/1061792405.db2.gz ZRTVGBNLBKOORF-HNNXBMFYSA-N 0 0 457.485 2.643 20 0 JFADRN CCCCn1cc(Cn2c(Cc3csc(C)n3)nnc2N2CC(=O)N(C)C[C@H]2C)c(C)n1 ZINC001294305495 1061792777 /nfs/dbraw/zinc/79/27/77/1061792777.db2.gz XEZGXNUYRTUKIS-OAHLLOKOSA-N 0 0 456.620 2.654 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1CCCCNC(=O)OC(C)(C)C ZINC001286977721 1061793321 /nfs/dbraw/zinc/79/33/21/1061793321.db2.gz GKQAAZGZDXWTLN-HOTGVXAUSA-N 0 0 468.624 2.836 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCSCc1ccccc1F ZINC001286977740 1061793731 /nfs/dbraw/zinc/79/37/31/1061793731.db2.gz GNCFWLFCNSTROT-IIDMSEBBSA-N 0 0 483.635 2.560 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001286977809 1061794202 /nfs/dbraw/zinc/79/42/02/1061794202.db2.gz SPNGKGYDRGXXOZ-SHJAMOMRSA-N 0 0 481.638 2.872 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CCCNc2ccccn2)c1 ZINC001290069544 1061794219 /nfs/dbraw/zinc/79/42/19/1061794219.db2.gz LQXVTKXYAVJARM-UHFFFAOYSA-N 0 0 499.641 2.534 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(-c3c[nH]c4ccccc43)n2CCCS(C)(=O)=O)CC1 ZINC001286977832 1061794256 /nfs/dbraw/zinc/79/42/56/1061794256.db2.gz OUVBRULYKXSMRT-UHFFFAOYSA-N 0 0 472.615 2.556 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1CCCc1nc2c(s1)CCCC2 ZINC001286977798 1061794325 /nfs/dbraw/zinc/79/43/25/1061794325.db2.gz GRKSVGDFCUHQFZ-HZPDHXFCSA-N 0 0 491.687 2.905 20 0 JFADRN CCCCn1cc(Cn2c(COc3ccccc3CC)nnc2N2CCNC(=O)C2)c(C)n1 ZINC001294307778 1061794758 /nfs/dbraw/zinc/79/47/58/1061794758.db2.gz NJERLSGEXVKPML-UHFFFAOYSA-N 0 0 451.575 2.709 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CC[C@](C)(O)c1ccccc1 ZINC001286977924 1061794839 /nfs/dbraw/zinc/79/48/39/1061794839.db2.gz TWSKRFCADNHGPY-IECBHUPTSA-N 0 0 471.627 2.820 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2CC(F)(F)CO2)c1 ZINC001290069647 1061794895 /nfs/dbraw/zinc/79/48/95/1061794895.db2.gz OVCLKSDOWURPKX-OALUTQOASA-N 0 0 484.569 2.993 20 0 JFADRN CCCCn1cc(Cn2c(COc3ccc(OC)cc3)nnc2N2CCS(=O)CC2)c(C)n1 ZINC001294308257 1061795164 /nfs/dbraw/zinc/79/51/64/1061795164.db2.gz OWGOSTBBNXGVAM-UHFFFAOYSA-N 0 0 472.615 2.788 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(c4ccnc(C)n4)CC3)n2CCC(=O)NC(C)(C)C)c1 ZINC001290070802 1061796412 /nfs/dbraw/zinc/79/64/12/1061796412.db2.gz GFKMMIVHHZACMM-UHFFFAOYSA-N 0 0 492.628 2.895 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C(=O)c4ccco4)CC3)n2CCCCCO)c1 ZINC001290070818 1061796457 /nfs/dbraw/zinc/79/64/57/1061796457.db2.gz GWVSVZMEROEGRS-UHFFFAOYSA-N 0 0 453.543 2.884 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CCN(C)Cc1ccc(F)cc1 ZINC001286978239 1061796541 /nfs/dbraw/zinc/79/65/41/1061796541.db2.gz PPVRMOLYCPNLFE-ABSDTBQOSA-N 0 0 467.611 2.659 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C2CC(C(C)(C)C)C2)CC1 ZINC001286978302 1061797041 /nfs/dbraw/zinc/79/70/41/1061797041.db2.gz UGBFCQMJTWLIQE-WWDZGPRUSA-N 0 0 465.664 2.872 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@@]2(O)CCOC2)c1 ZINC001290071489 1061798100 /nfs/dbraw/zinc/79/81/00/1061798100.db2.gz NFCLEIAHVMCCGB-DFBJGRDBSA-N 0 0 487.601 2.763 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccccn2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001286978546 1061799391 /nfs/dbraw/zinc/79/93/91/1061799391.db2.gz VRZUBSWQYDSOST-SAHWJRBASA-N 0 0 475.590 2.569 20 0 JFADRN CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC001290071964 1061799794 /nfs/dbraw/zinc/79/97/94/1061799794.db2.gz XQUQKXIUYKVCPU-QFIPXVFZSA-N 0 0 453.942 2.964 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCCn2cccn2)c1 ZINC001290072064 1061800514 /nfs/dbraw/zinc/80/05/14/1061800514.db2.gz ZCAXRBYLNXOOJL-UHFFFAOYSA-N 0 0 451.575 2.757 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2C[C@]2(O)CCCC2(C)C)c1 ZINC001290074101 1061802120 /nfs/dbraw/zinc/80/21/20/1061802120.db2.gz LNFVESJEUHHVBS-HHHXNRCGSA-N 0 0 498.672 2.753 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CCCN1CCCCCC1=O ZINC001286978920 1061802140 /nfs/dbraw/zinc/80/21/40/1061802140.db2.gz XGJKPVKHGRSXCQ-MSOLQXFVSA-N 0 0 481.688 2.981 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2CCNC(=O)C(C)(C)C)c1 ZINC001290074799 1061803016 /nfs/dbraw/zinc/80/30/16/1061803016.db2.gz OOSYYSAJAVJJJT-UHFFFAOYSA-N 0 0 470.618 2.632 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CCNC(=O)C(C)(C)C)c1 ZINC001290074153 1061803041 /nfs/dbraw/zinc/80/30/41/1061803041.db2.gz MXYHCTKAKKLOCA-UHFFFAOYSA-N 0 0 464.561 2.715 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001286979250 1061803576 /nfs/dbraw/zinc/80/35/76/1061803576.db2.gz YCHHEFUFRCJRNH-ROUUACIJSA-N 0 0 471.627 2.797 20 0 JFADRN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)c1coc(CS(C)(=O)=O)n1 ZINC001290076437 1061805359 /nfs/dbraw/zinc/80/53/59/1061805359.db2.gz NPSPWXCOPBIYMY-UHFFFAOYSA-N 0 0 459.480 2.741 20 0 JFADRN CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCCS2(=O)=O)C1 ZINC001286979362 1061806142 /nfs/dbraw/zinc/80/61/42/1061806142.db2.gz AEDQFCFMBGZZFU-QRVBRYPASA-N 0 0 481.663 2.618 20 0 JFADRN CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC2CCCC2)C1 ZINC001286979351 1061806225 /nfs/dbraw/zinc/80/62/25/1061806225.db2.gz ABNHREZBNZYJSB-MJGOQNOKSA-N 0 0 460.623 2.710 20 0 JFADRN CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(O)cc2)C1 ZINC001294315175 1061806695 /nfs/dbraw/zinc/80/66/95/1061806695.db2.gz ANYYJLLVZKQPDC-QUCCMNQESA-N 0 0 468.602 2.789 20 0 JFADRN 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C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC(C)(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001286979726 1061809325 /nfs/dbraw/zinc/80/93/25/1061809325.db2.gz ZIYQRBAWEOXUJQ-CVEARBPZSA-N 0 0 471.668 2.991 20 0 JFADRN Cc1cccc(OCCn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1 ZINC001290079708 1061810268 /nfs/dbraw/zinc/81/02/68/1061810268.db2.gz DGDGMXVHBAZKPI-AXHZCLLHSA-N 0 0 457.575 2.576 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC1([S@](C)=O)CC1 ZINC001286980064 1061810458 /nfs/dbraw/zinc/81/04/58/1061810458.db2.gz KLBNOMXVBFRZTL-JDEFPPCYSA-N 0 0 477.656 2.606 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C2CC2)n1CCc1ccn(-c2ccc(F)cc2)n1 ZINC001286980071 1061810741 /nfs/dbraw/zinc/81/07/41/1061810741.db2.gz KMYISYOCIUFMRT-CVEARBPZSA-N 0 0 460.579 2.981 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(C2CC2)n1CCc1ccn(-c2ccc(F)cc2)n1)S(C)(=O)=O ZINC001286980074 1061810830 /nfs/dbraw/zinc/81/08/30/1061810830.db2.gz KMYISYOCIUFMRT-JKSUJKDBSA-N 0 0 460.579 2.981 20 0 JFADRN 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BYFLCOHYJLOYMH-MRXNPFEDSA-N 0 0 454.545 2.632 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)N(C)C)CCN1CC(F)(F)F ZINC001291260704 1063555249 /nfs/dbraw/zinc/55/52/49/1063555249.db2.gz NSJZNJIECCRMHA-AWEZNQCLSA-N 0 0 458.916 2.683 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2ccn[nH]2)C[C@@H](C)S1 ZINC001291261223 1063555766 /nfs/dbraw/zinc/55/57/66/1063555766.db2.gz WUGMPZKQZMVDOU-ZIAGYGMSSA-N 0 0 461.542 2.630 20 0 JFADRN CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001295521004 1063557372 /nfs/dbraw/zinc/55/73/72/1063557372.db2.gz YZPKJRQXJDOGAF-BVYCBKJFSA-N 0 0 457.596 2.673 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCCCS(C)(=O)=O)CC2(CCOCC2)O1 ZINC001291261529 1063557367 /nfs/dbraw/zinc/55/73/67/1063557367.db2.gz CUTTZNOYTKXZSY-IBGZPJMESA-N 0 0 494.633 2.997 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2COCCO2)CCN1C(=O)OC(C)(C)C ZINC001291261510 1063557400 /nfs/dbraw/zinc/55/74/00/1063557400.db2.gz CPBAJILYCGOAON-YLJYHZDGSA-N 0 0 475.565 2.869 20 0 JFADRN CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001295521005 1063557493 /nfs/dbraw/zinc/55/74/93/1063557493.db2.gz YZPKJRQXJDOGAF-STZQEDGTSA-N 0 0 457.596 2.673 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)c2ccn[nH]2)C[C@@H](C(F)(F)F)O1 ZINC001291261966 1063558086 /nfs/dbraw/zinc/55/80/86/1063558086.db2.gz KLVBIPLWKWFOAK-GUYCJALGSA-N 0 0 497.909 2.831 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)c2ccn[nH]2)C[C@H](C(F)(F)F)O1 ZINC001291261964 1063558316 /nfs/dbraw/zinc/55/83/16/1063558316.db2.gz KLVBIPLWKWFOAK-CXAGYDPISA-N 0 0 497.909 2.831 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2CCOCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291262943 1063561028 /nfs/dbraw/zinc/56/10/28/1063561028.db2.gz CCRYGNBOYKXEPO-CTNGQTDRSA-N 0 0 499.660 2.724 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC2([S@@](C)=O)CC2)CCN1C(=O)OC(C)(C)C ZINC001291263165 1063561392 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CCn1cccc(Cn2c(Cc3ccccc3F)nnc2N2CCN(CC(F)F)CC2)c1=O ZINC001295949861 1064000072 /nfs/dbraw/zinc/00/00/72/1064000072.db2.gz QGQVDIMZCRTQOK-UHFFFAOYSA-N 0 0 460.504 2.625 20 0 JFADRN CCn1cccc(Cn2c(Cc3ccccc3F)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)c1=O ZINC001295950008 1064000456 /nfs/dbraw/zinc/00/04/56/1064000456.db2.gz WYGVZMFUPPNJSS-FQEVSTJZSA-N 0 0 487.601 2.641 20 0 JFADRN CCn1cccc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](COC)O[C@@H](C)C2)c1=O ZINC001295950156 1064000705 /nfs/dbraw/zinc/00/07/05/1064000705.db2.gz BXLFUMVDQOADSI-NZQKXSOJSA-N 0 0 481.597 2.944 20 0 JFADRN CCn1cccc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)O[C@H](COC)C2)c1=O ZINC001295950157 1064000715 /nfs/dbraw/zinc/00/07/15/1064000715.db2.gz BXLFUMVDQOADSI-OFNKIYASSA-N 0 0 481.597 2.944 20 0 JFADRN CC[C@H](C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)OC ZINC001291420525 1064001470 /nfs/dbraw/zinc/00/14/70/1064001470.db2.gz YJJMGOSYDQEWEW-ARFHVFGLSA-N 0 0 451.509 2.866 20 0 JFADRN CCn1cccc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCN(C(=O)OC)CC2)c1=O ZINC001295950379 1064001447 /nfs/dbraw/zinc/00/14/47/1064001447.db2.gz HWQMSMUYISHKKE-UHFFFAOYSA-N 0 0 480.569 2.592 20 0 JFADRN COCCN(CCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)C(=O)OC(C)(C)C ZINC001295950304 1064001484 /nfs/dbraw/zinc/00/14/84/1064001484.db2.gz CGFJDFOTKUTJPG-KRWDZBQOSA-N 0 0 453.967 2.688 20 0 JFADRN CC[C@H](C)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)OC ZINC001291421053 1064001843 /nfs/dbraw/zinc/00/18/43/1064001843.db2.gz FULBQTHJJYKOQU-FXAWDEMLSA-N 0 0 467.611 2.541 20 0 JFADRN CC[C@@H](C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccnc(C)n2)CC1)OC ZINC001291421824 1064002225 /nfs/dbraw/zinc/00/22/25/1064002225.db2.gz PYGWDICAJUYMPZ-NQIIRXRSSA-N 0 0 450.591 2.750 20 0 JFADRN CCn1cccc(Cn2c(CSc3ccccc3OC)nnc2N2CCC(NC(C)=O)CC2)c1=O ZINC001295950871 1064002492 /nfs/dbraw/zinc/00/24/92/1064002492.db2.gz OIVGUMPYKFSDNX-UHFFFAOYSA-N 0 0 496.637 2.914 20 0 JFADRN CC[C@H](C)[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)OC ZINC001291422131 1064002572 /nfs/dbraw/zinc/00/25/72/1064002572.db2.gz UQJOAJMMPHWAQM-GERBCZOESA-N 0 0 457.575 2.970 20 0 JFADRN CC[C@H](C)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)OC ZINC001291422075 1064002595 /nfs/dbraw/zinc/00/25/95/1064002595.db2.gz UBLZUIBIHDKCGA-BWMZKYQQSA-N 0 0 466.529 2.568 20 0 JFADRN CCn1cccc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C(=O)NC)CC2)c1=O ZINC001295951237 1064003039 /nfs/dbraw/zinc/00/30/39/1064003039.db2.gz SBEDINFCOCQUSP-UHFFFAOYSA-N 0 0 484.988 2.703 20 0 JFADRN CC[C@H](C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2nccs2)CC1)OC ZINC001291422673 1064004067 /nfs/dbraw/zinc/00/40/67/1064004067.db2.gz AZIFKRYLMHCIQS-ROUUACIJSA-N 0 0 461.636 2.635 20 0 JFADRN CC[C@H](C)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N(CC)CC)CC1)OC ZINC001291422683 1064004099 /nfs/dbraw/zinc/00/40/99/1064004099.db2.gz BALFNHOZVOQASG-GHTZIAJQSA-N 0 0 474.654 2.785 20 0 JFADRN CC[C@H](C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2nccs2)CC1)OC ZINC001291422674 1064004117 /nfs/dbraw/zinc/00/41/17/1064004117.db2.gz AZIFKRYLMHCIQS-ZWKOTPCHSA-N 0 0 461.636 2.635 20 0 JFADRN CCn1cnnc1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001295953334 1064005058 /nfs/dbraw/zinc/00/50/58/1064005058.db2.gz FLTRPGFCNPOFQF-UHFFFAOYSA-N 0 0 475.395 2.718 20 0 JFADRN CC[C@H](C)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)OC ZINC001291423427 1064005078 /nfs/dbraw/zinc/00/50/78/1064005078.db2.gz LQUWQMDUEPBIDI-CEWLAPEOSA-N 0 0 468.602 2.597 20 0 JFADRN CC[C@@H](C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccsc2)CC1)OC ZINC001291423297 1064005100 /nfs/dbraw/zinc/00/51/00/1064005100.db2.gz KCAZDAHLXSLGIO-QUCCMNQESA-N 0 0 488.658 2.876 20 0 JFADRN CCn1cnnc1Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cccc(C)c2C)CC1 ZINC001295953068 1064005109 /nfs/dbraw/zinc/00/51/09/1064005109.db2.gz CXHOYWGUVPTPEE-FQEVSTJZSA-N 0 0 468.606 2.605 20 0 JFADRN CCn1cnnc1Cn1c([C@H](C)OCCOC)nnc1N1Cc2cccc(Br)c2C1 ZINC001295953805 1064005548 /nfs/dbraw/zinc/00/55/48/1064005548.db2.gz ITPUDNRMJOIRGS-AWEZNQCLSA-N 0 0 476.379 2.945 20 0 JFADRN CCn1cnnc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001295954216 1064006145 /nfs/dbraw/zinc/00/61/45/1064006145.db2.gz BRPKVOBRRAJFCS-UHFFFAOYSA-N 0 0 496.373 2.984 20 0 JFADRN CC[C@H](C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1)OC ZINC001291424012 1064006231 /nfs/dbraw/zinc/00/62/31/1064006231.db2.gz SEGAGRVEUSIORQ-LPHOPBHVSA-N 0 0 475.663 2.862 20 0 JFADRN CCn1cnnc1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001295955042 1064006467 /nfs/dbraw/zinc/00/64/67/1064006467.db2.gz OEKNAPHUHKHKIW-SFHVURJKSA-N 0 0 480.617 2.991 20 0 JFADRN CC[C@H](C)[C@@H](Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1)OC ZINC001291424286 1064006530 /nfs/dbraw/zinc/00/65/30/1064006530.db2.gz WCAXWTISWWEFGS-HFSMHLIXSA-N 0 0 457.575 2.774 20 0 JFADRN CCn1cnnc1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001295955060 1064006898 /nfs/dbraw/zinc/00/68/98/1064006898.db2.gz OSAXVPXFHPCOPC-MHECFPHRSA-N 0 0 466.590 2.657 20 0 JFADRN CCn1cccc(Cn2c(N3CC[C@@H](OCC(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)c1=O ZINC001295957066 1064007541 /nfs/dbraw/zinc/00/75/41/1064007541.db2.gz ONKKYWAPMUYSNS-BWKNWUBXSA-N 0 0 473.618 2.800 20 0 JFADRN CC[C@H](C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)OC ZINC001291424583 1064007803 /nfs/dbraw/zinc/00/78/03/1064007803.db2.gz ZMHZBASZRNSSPX-HZUJVAHNSA-N 0 0 475.556 2.991 20 0 JFADRN CCn1cnnc1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001295959687 1064009010 /nfs/dbraw/zinc/00/90/10/1064009010.db2.gz KJAMZTVMHJBGEA-UHFFFAOYSA-N 0 0 484.914 2.951 20 0 JFADRN CCn1cnnc1Cn1c(-c2cccn2C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001295959655 1064009033 /nfs/dbraw/zinc/00/90/33/1064009033.db2.gz DXRKVYWAJCMKRR-UHFFFAOYSA-N 0 0 469.594 2.684 20 0 JFADRN CCn1cnnc1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001295960292 1064010089 /nfs/dbraw/zinc/01/00/89/1064010089.db2.gz ROIGTHJVJPPVIP-UHFFFAOYSA-N 0 0 456.982 2.953 20 0 JFADRN CC[C@@H](C)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccco2)CC1)OC ZINC001291427335 1064010248 /nfs/dbraw/zinc/01/02/48/1064010248.db2.gz JEBLZKXWCVWRLH-JYRKZWEQSA-N 0 0 475.590 2.619 20 0 JFADRN CC[C@H](C)c1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001291428403 1064011717 /nfs/dbraw/zinc/01/17/17/1064011717.db2.gz XFJFRSIGJONBPN-HZMVEIRTSA-N 0 0 483.601 2.703 20 0 JFADRN CCn1cnnc1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(CC)C1 ZINC001295962651 1064012319 /nfs/dbraw/zinc/01/23/19/1064012319.db2.gz GTQSYUFQFHGQLI-UZUQRXQVSA-N 0 0 474.610 2.873 20 0 JFADRN Cc1ccc(N2CCN(C(=O)C[C@H](C)NS(=O)(=O)c3cccnc3Cl)CC2)cc1C ZINC001295963691 1064012688 /nfs/dbraw/zinc/01/26/88/1064012688.db2.gz PISYRZLHCTVBNB-KRWDZBQOSA-N 0 0 450.992 2.758 20 0 JFADRN CCn1cnnc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001295963934 1064013019 /nfs/dbraw/zinc/01/30/19/1064013019.db2.gz PRTKOWDNWVQHKF-LLVKDONJSA-N 0 0 453.391 2.763 20 0 JFADRN Cc1cccc([C@@H](NC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)c2ccccn2)c1 ZINC001295964267 1064013033 /nfs/dbraw/zinc/01/30/33/1064013033.db2.gz QXGSZGLKZJQNES-LEWJYISDSA-N 0 0 459.955 2.588 20 0 JFADRN CC(C)(C)OC(=O)NCCN(CC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(=O)OC(C)(C)C ZINC001295964930 1064013462 /nfs/dbraw/zinc/01/34/62/1064013462.db2.gz BSXSVDFCZPSFCE-KBAYOESNSA-N 0 0 453.580 2.822 20 0 JFADRN CCn1cnnc1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001295964515 1064013468 /nfs/dbraw/zinc/01/34/68/1064013468.db2.gz TVVBXCUEHSVAIV-UHFFFAOYSA-N 0 0 455.517 2.794 20 0 JFADRN CCn1cnnc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(COC)CC1 ZINC001295964381 1064013493 /nfs/dbraw/zinc/01/34/93/1064013493.db2.gz SDEAZKNAVKUWFU-LJQANCHMSA-N 0 0 488.637 2.915 20 0 JFADRN CC[C@H](C)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001291434036 1064013970 /nfs/dbraw/zinc/01/39/70/1064013970.db2.gz HXSOPQBSFXYUOZ-VDGAXYAQSA-N 0 0 475.615 2.581 20 0 JFADRN 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CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)C1 ZINC001296274055 1064543334 /nfs/dbraw/zinc/54/33/34/1064543334.db2.gz WPFDEMWSZDEQQO-INIZCTEOSA-N 0 0 459.497 2.905 20 0 JFADRN CCC(CC)(Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CCC(=O)NC)SC ZINC001291922965 1064543632 /nfs/dbraw/zinc/54/36/32/1064543632.db2.gz QFJOEMHRINOQDH-UHFFFAOYSA-N 0 0 471.631 2.686 20 0 JFADRN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)C1 ZINC001296274057 1064543715 /nfs/dbraw/zinc/54/37/15/1064543715.db2.gz WPFDEMWSZDEQQO-MRXNPFEDSA-N 0 0 459.497 2.905 20 0 JFADRN CCC(CC)(Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNC(C)=O)C1)OC ZINC001291923212 1064543741 /nfs/dbraw/zinc/54/37/41/1064543741.db2.gz RMJQCCQDLVTUDD-KRWDZBQOSA-N 0 0 460.579 2.564 20 0 JFADRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1)OC ZINC001291923350 1064544176 /nfs/dbraw/zinc/54/41/76/1064544176.db2.gz PQMAWMXESMVTNU-HXUWFJFHSA-N 0 0 456.595 2.603 20 0 JFADRN CCNC(=O)c1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](NC(=O)OCC)C2)cc1 ZINC001296275014 1064544088 /nfs/dbraw/zinc/54/40/88/1064544088.db2.gz WCTBQGCPFLQZSG-LJQANCHMSA-N 0 0 465.558 2.786 20 0 JFADRN CCC(CC)(Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)OC ZINC001291923547 1064544221 /nfs/dbraw/zinc/54/42/21/1064544221.db2.gz WYFIMPMDEBEHMS-KRWDZBQOSA-N 0 0 497.600 2.674 20 0 JFADRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C ZINC001291924120 1064544936 /nfs/dbraw/zinc/54/49/36/1064544936.db2.gz WMJKBGAWBYZEAG-UHFFFAOYSA-N 0 0 478.619 2.658 20 0 JFADRN CCC(CC)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COc2ccccc2)C1)OC ZINC001291924787 1064545036 /nfs/dbraw/zinc/54/50/36/1064545036.db2.gz AVXCDKWTFNUOTH-PMACEKPBSA-N 0 0 457.575 2.719 20 0 JFADRN CCC(CC)(Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(NC(C)=O)CC1)OC ZINC001291923815 1064545055 /nfs/dbraw/zinc/54/50/55/1064545055.db2.gz YSHOSSSGPOYSPY-UHFFFAOYSA-N 0 0 467.574 2.904 20 0 JFADRN CCNC(=O)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(C)C)C(=O)C2)cc1 ZINC001296275125 1064545099 /nfs/dbraw/zinc/54/50/99/1064545099.db2.gz YVTZHTVCOXFSRE-NRFANRHFSA-N 0 0 468.602 2.622 20 0 JFADRN CCC(CC)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)OC ZINC001291924812 1064545316 /nfs/dbraw/zinc/54/53/16/1064545316.db2.gz BCQCCEFQTYKOBR-HKUYNNGSSA-N 0 0 462.639 2.812 20 0 JFADRN CCC(CC)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCOC[C@@H]1C)NC(=O)OC(C)(C)C ZINC001291925229 1064545351 /nfs/dbraw/zinc/54/53/51/1064545351.db2.gz GBSBZRXLCDVSRC-HOTGVXAUSA-N 0 0 450.584 2.538 20 0 JFADRN CCNC(=O)c1cccc(Cn2c([C@@H](C)CC)nnc2N2CCCN(CC(=O)N3CCCC3)CC2)c1 ZINC001296277189 1064545845 /nfs/dbraw/zinc/54/58/45/1064545845.db2.gz BRCPHFKQKCODFK-NRFANRHFSA-N 0 0 495.672 2.724 20 0 JFADRN CCC(CC)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1)OC ZINC001291925665 1064545974 /nfs/dbraw/zinc/54/59/74/1064545974.db2.gz NQRFTJWMPCDIGX-QUCCMNQESA-N 0 0 468.602 2.924 20 0 JFADRN CCC(CC)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cnc(C)s2)CC1)OC ZINC001291927353 1064546433 /nfs/dbraw/zinc/54/64/33/1064546433.db2.gz XZSALUZJVFUMOK-GOSISDBHSA-N 0 0 461.636 2.522 20 0 JFADRN CCNC(=O)c1cccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@H](C)O[C@@H](CC)C2)c1 ZINC001296277614 1064546652 /nfs/dbraw/zinc/54/66/52/1064546652.db2.gz HEULGWAMEQJVMA-UWJYYQICSA-N 0 0 470.618 2.998 20 0 JFADRN NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)CCCC(=O)c2ccc3c(c2)OCCO3)c1 ZINC001291927653 1064546805 /nfs/dbraw/zinc/54/68/05/1064546805.db2.gz AJPQXNLJMJJMBF-FQEVSTJZSA-N 0 0 451.523 2.899 20 0 JFADRN CCNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)c1 ZINC001296277681 1064547044 /nfs/dbraw/zinc/54/70/44/1064547044.db2.gz IHVYEIGQSIHIGQ-AREMUKBSSA-N 0 0 482.629 2.954 20 0 JFADRN CCNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H]2C[C@@H](OCC)C2(C)C)c1 ZINC001296277706 1064547473 /nfs/dbraw/zinc/54/74/73/1064547473.db2.gz IWMJGDCFKFLTBZ-NHCUHLMSSA-N 0 0 482.629 2.952 20 0 JFADRN CCNC(=O)c1ccc(Cn2c(COCC)nnc2N2CCN(C(=O)OCC(C)C)CC2)cc1 ZINC001296277845 1064547909 /nfs/dbraw/zinc/54/79/09/1064547909.db2.gz MBEXPKAOTHEFPO-UHFFFAOYSA-N 0 0 472.590 2.527 20 0 JFADRN CCNC(=O)c1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC)(CC)C2)c1 ZINC001296278076 1064548592 /nfs/dbraw/zinc/54/85/92/1064548592.db2.gz SLDHLHXCPNVWLV-KRWDZBQOSA-N 0 0 476.647 2.703 20 0 JFADRN CCNC(=O)c1cccc(Cn2c(-c3ccc[nH]3)nnc2N(C)CC2COC(C)(C)OC2)c1 ZINC001296279408 1064549388 /nfs/dbraw/zinc/54/93/88/1064549388.db2.gz GNMONBDOTUMBND-UHFFFAOYSA-N 0 0 452.559 2.907 20 0 JFADRN CCNC(=O)c1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(C)C)C(=O)C2)c1 ZINC001296279914 1064550086 /nfs/dbraw/zinc/55/00/86/1064550086.db2.gz MQYWUHHEQXDPMS-NRFANRHFSA-N 0 0 468.602 2.622 20 0 JFADRN CCC(CC)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cncn2)C1)SC ZINC001291932295 1064550471 /nfs/dbraw/zinc/55/04/71/1064550471.db2.gz GYMUSIHLAVPFJH-IRXDYDNUSA-N 0 0 467.665 2.535 20 0 JFADRN CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)SC ZINC001291932907 1064551286 /nfs/dbraw/zinc/55/12/86/1064551286.db2.gz ZIBKTWVGRIOMJA-QZTJIDSGSA-N 0 0 451.637 2.531 20 0 JFADRN CCNC(=O)c1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](C(=O)OC)C2)c1 ZINC001296280863 1064551299 /nfs/dbraw/zinc/55/12/99/1064551299.db2.gz WNOWUDANANCMGO-WOJBJXKFSA-N 0 0 455.559 2.707 20 0 JFADRN CCNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C)s2)c1 ZINC001296281003 1064551776 /nfs/dbraw/zinc/55/17/76/1064551776.db2.gz HZIPCFBPQVVDBY-LJQANCHMSA-N 0 0 487.651 2.985 20 0 JFADRN CCC(CC)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1)OC ZINC001291933570 1064552428 /nfs/dbraw/zinc/55/24/28/1064552428.db2.gz QJPLNUBSZLYCHP-PMACEKPBSA-N 0 0 493.678 2.510 20 0 JFADRN CCNC(=O)c1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C(C)C)C2)c1 ZINC001296281229 1064552577 /nfs/dbraw/zinc/55/25/77/1064552577.db2.gz AEPPASHVGWXEBC-BDTNDASRSA-N 0 0 471.602 2.661 20 0 JFADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1)OC ZINC001291933862 1064552796 /nfs/dbraw/zinc/55/27/96/1064552796.db2.gz JVBPADYSJPHGFH-FXAWDEMLSA-N 0 0 462.664 2.996 20 0 JFADRN CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)OC ZINC001291933864 1064552895 /nfs/dbraw/zinc/55/28/95/1064552895.db2.gz JVBPADYSJPHGFH-XLIONFOSSA-N 0 0 462.664 2.996 20 0 JFADRN CCC(CC)(Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)SC ZINC001291933986 1064553225 /nfs/dbraw/zinc/55/32/25/1064553225.db2.gz SYMCXJFDCVZKAJ-UHFFFAOYSA-N 0 0 464.680 2.669 20 0 JFADRN CCNC(=O)c1cccc(Cn2c(N3CC[C@@H](COC)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001296282611 1064553832 /nfs/dbraw/zinc/55/38/32/1064553832.db2.gz IJVFYPIXPVTHTO-CJFMBICVSA-N 0 0 471.602 2.589 20 0 JFADRN CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2Cc2cccnc2OC2CCCC2)CC1 ZINC001296282650 1064553936 /nfs/dbraw/zinc/55/39/36/1064553936.db2.gz IXTNFGKJXOJOOP-UHFFFAOYSA-N 0 0 469.634 2.598 20 0 JFADRN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCCN(Cc2noc(C)n2)CC1)OC ZINC001291935255 1064553954 /nfs/dbraw/zinc/55/39/54/1064553954.db2.gz ULYIDRAZGDCQQV-UHFFFAOYSA-N 0 0 468.606 2.873 20 0 JFADRN CCNC(=O)c1cccc(Cn2c(N(C)C[C@H]3CCCOC3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001296283611 1064555138 /nfs/dbraw/zinc/55/51/38/1064555138.db2.gz MXQFTYUIBBZWPW-QFQXNSOFSA-N 0 0 485.629 2.980 20 0 JFADRN CCNC(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CCN(c3nccnc3C)CC2)c1 ZINC001296283123 1064555147 /nfs/dbraw/zinc/55/51/47/1064555147.db2.gz UDAAVCQNNMMLHW-UHFFFAOYSA-N 0 0 462.602 2.700 20 0 JFADRN CN1CCN([C@@H](C(=O)Nc2ccc(I)cc2O)c2ccccc2)CC1 ZINC001296283970 1064555992 /nfs/dbraw/zinc/55/59/92/1064555992.db2.gz UAXHWICAAMGGCI-GOSISDBHSA-N 0 0 451.308 2.924 20 0 JFADRN CCNC(=O)c1cccc(Cn2c(N3CCOC(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001296284276 1064556244 /nfs/dbraw/zinc/55/62/44/1064556244.db2.gz WACPXLVRANPBKR-RUZDIDTESA-N 0 0 471.602 2.732 20 0 JFADRN CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)OC ZINC001291940872 1064556679 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CCCC(O)(CCC)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001293998328 1066500458 /nfs/dbraw/zinc/50/04/58/1066500458.db2.gz GAAFDKSJVBBJLT-NRFANRHFSA-N 0 0 496.656 2.721 20 0 JFADRN CCCC(O)(CCC)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001294003963 1066503256 /nfs/dbraw/zinc/50/32/56/1066503256.db2.gz RSHGDJCBCRJIQQ-UXHICEINSA-N 0 0 483.679 2.855 20 0 JFADRN CCCC(O)(CCC)Cn1c(-c2cccc(C)n2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001294004054 1066503605 /nfs/dbraw/zinc/50/36/05/1066503605.db2.gz UAXBSRNYUIFMEX-XMMPIXPASA-N 0 0 483.617 2.794 20 0 JFADRN CCCC(O)(CCC)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2C1 ZINC001294005291 1066503978 /nfs/dbraw/zinc/50/39/78/1066503978.db2.gz BRDSTVBIIPYPDC-GOSISDBHSA-N 0 0 497.687 2.567 20 0 JFADRN CCCC(O)(CCC)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001294006224 1066504652 /nfs/dbraw/zinc/50/46/52/1066504652.db2.gz DIJBXXFNZDEKRH-QHCPKHFHSA-N 0 0 453.591 2.550 20 0 JFADRN CCCC(O)(CCC)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294006879 1066505161 /nfs/dbraw/zinc/50/51/61/1066505161.db2.gz PXOYSVCELZWKAG-IBGZPJMESA-N 0 0 452.596 2.963 20 0 JFADRN Cc1ccc(N2CCC[C@H](NC(=O)c3cccc(S(=O)(=O)NC[C@@H]4CCCO4)c3)C2)cc1 ZINC001294007118 1066505824 /nfs/dbraw/zinc/50/58/24/1066505824.db2.gz BQKMBHSPDOJBDW-UNMCSNQZSA-N 0 0 457.596 2.851 20 0 JFADRN CCCC(O)(CCC)Cn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC001294007540 1066506157 /nfs/dbraw/zinc/50/61/57/1066506157.db2.gz VXGRUSMEIAUAGF-VQTJNVASSA-N 0 0 462.639 2.696 20 0 JFADRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1nn(C(C)(C)C)cc1Br ZINC001294007556 1066506576 /nfs/dbraw/zinc/50/65/76/1066506576.db2.gz GOOYXVLJFXUCRL-GFCCVEGCSA-N 0 0 458.382 2.826 20 0 JFADRN CCCC(O)(CCC)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001294007721 1066506958 /nfs/dbraw/zinc/50/69/58/1066506958.db2.gz XQBFTYRHLTVWDB-QPPBQGQZSA-N 0 0 497.688 2.584 20 0 JFADRN CCCC(O)(CCC)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001294008268 1066507346 /nfs/dbraw/zinc/50/73/46/1066507346.db2.gz ZFUFFUMTKGSDPG-UXHICEINSA-N 0 0 483.679 2.711 20 0 JFADRN CCCC(O)(CCC)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCCO2 ZINC001294008005 1066507388 /nfs/dbraw/zinc/50/73/88/1066507388.db2.gz YMUIZDFOJOJAAT-IBGZPJMESA-N 0 0 492.642 2.919 20 0 JFADRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1nc(Br)sc1Cl ZINC001294008973 1066507692 /nfs/dbraw/zinc/50/76/92/1066507692.db2.gz SGYXRFSSMHOBTH-MRVPVSSYSA-N 0 0 453.771 2.984 20 0 JFADRN Cn1ccc(N2CCC[C@H](NC(=O)c3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)C2=O)n1 ZINC001294008439 1066507703 /nfs/dbraw/zinc/50/77/03/1066507703.db2.gz OOCQYBHBFGMXLL-HNNXBMFYSA-N 0 0 459.572 2.700 20 0 JFADRN Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(F)c(S(=O)(=O)Cc4ncon4)c3)C2)cc1 ZINC001294008317 1066507734 /nfs/dbraw/zinc/50/77/34/1066507734.db2.gz MWWBGPMTNZYLKY-KRWDZBQOSA-N 0 0 458.515 2.890 20 0 JFADRN CCCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001294015242 1066509363 /nfs/dbraw/zinc/50/93/63/1066509363.db2.gz SAYCUGXUIMSUFL-SFHVURJKSA-N 0 0 489.646 2.614 20 0 JFADRN Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)Nc2n[nH]cc2-c2ccc3c(c2)OCO3)c1C ZINC001294016916 1066510790 /nfs/dbraw/zinc/51/07/90/1066510790.db2.gz NGKOXXNJXXLHMX-UHFFFAOYSA-N 0 0 456.524 2.956 20 0 JFADRN CCCC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CCC1 ZINC001294024552 1066512993 /nfs/dbraw/zinc/51/29/93/1066512993.db2.gz IZMWZNURLYEEKK-CABCVRRESA-N 0 0 456.513 2.704 20 0 JFADRN CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001294024659 1066513013 /nfs/dbraw/zinc/51/30/13/1066513013.db2.gz PJQFBJYIZSHTDB-IBGZPJMESA-N 0 0 458.584 2.611 20 0 JFADRN CCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccc(OC)c(O)c2)CC1 ZINC001294028882 1066513982 /nfs/dbraw/zinc/51/39/82/1066513982.db2.gz JLSMEUPHUUGIRM-FQEVSTJZSA-N 0 0 493.630 2.542 20 0 JFADRN 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Cc1ccc([C@H]2CCCN2c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001289618294 1061257689 /nfs/dbraw/zinc/25/76/89/1061257689.db2.gz LAGOQJCVPHIRGD-VQTJNVASSA-N 0 0 473.643 2.992 20 0 JFADRN CC(=O)N1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2Cc2nncn2C)[C@@H](C)C1 ZINC001286868678 1061258482 /nfs/dbraw/zinc/25/84/82/1061258482.db2.gz AMDATMZVXWECBV-DLBZAZTESA-N 0 0 487.008 2.922 20 0 JFADRN Cc1ccc([C@@H]2CCCN2c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)C(C)(C)C)o1 ZINC001289619578 1061258531 /nfs/dbraw/zinc/25/85/31/1061258531.db2.gz VTYNCGPGJBJGPC-SJORKVTESA-N 0 0 484.644 2.636 20 0 JFADRN Cc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc1 ZINC001289620001 1061258646 /nfs/dbraw/zinc/25/86/46/1061258646.db2.gz BKXZRMWWQUYLNB-NRFANRHFSA-N 0 0 467.618 2.550 20 0 JFADRN CC(=O)N1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)N(C)Cc2ccccc2)CC1 ZINC001286868855 1061258961 /nfs/dbraw/zinc/25/89/61/1061258961.db2.gz QDYGHGNNAJEYFG-ISKFKSNPSA-N 0 0 496.656 2.914 20 0 JFADRN Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccon2)cc1 ZINC001289620792 1061259823 /nfs/dbraw/zinc/25/98/23/1061259823.db2.gz FASRIELCMRGBCX-QFUCXCTJSA-N 0 0 488.614 2.989 20 0 JFADRN CC(=O)N1CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccs2)CC1 ZINC001286869140 1061260640 /nfs/dbraw/zinc/26/06/40/1061260640.db2.gz QYLUMRMFIHROIW-LJQANCHMSA-N 0 0 490.630 2.755 20 0 JFADRN Cc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@]3(C2)CCCOC3)c(C)c1 ZINC001289622620 1061262198 /nfs/dbraw/zinc/26/21/98/1061262198.db2.gz KRQJVQKKYMQJPZ-XXBNENTESA-N 0 0 461.632 2.755 20 0 JFADRN Cc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(NC(=O)C(C)C)CC2)c(C)c1 ZINC001289626147 1061263384 /nfs/dbraw/zinc/26/33/84/1061263384.db2.gz ISSQGVZLUNTBJO-NRFANRHFSA-N 0 0 487.670 2.781 20 0 JFADRN CC(=O)N1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCO[C@H]2CCOC2)CC1 ZINC001286869795 1061263986 /nfs/dbraw/zinc/26/39/86/1061263986.db2.gz ZZBQOYGQCHGIEV-QFIPXVFZSA-N 0 0 471.602 2.728 20 0 JFADRN Cc1ccc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)NCC(F)F)o1 ZINC001289634243 1061267195 /nfs/dbraw/zinc/26/71/95/1061267195.db2.gz CKKLLGLZLPYKDP-UHFFFAOYSA-N 0 0 480.903 2.781 20 0 JFADRN CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCO[C@@H]2C)[C@H](C)C1 ZINC001286870663 1061267536 /nfs/dbraw/zinc/26/75/36/1061267536.db2.gz DILYHQQXMPKWGS-NAOGDZDTSA-N 0 0 471.602 2.632 20 0 JFADRN CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)C(C)C)CC12CCCCC2 ZINC001286870750 1061267620 /nfs/dbraw/zinc/26/76/20/1061267620.db2.gz RLWXHGQJYITYIX-SFHVURJKSA-N 0 0 482.695 2.942 20 0 JFADRN CC(=O)N1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccccn2)CC1 ZINC001286870897 1061268713 /nfs/dbraw/zinc/26/87/13/1061268713.db2.gz LMRLKNUVCBFJJJ-TYKWCNGQSA-N 0 0 483.617 2.745 20 0 JFADRN Cc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCC[C@@H]2NC(=O)NC2=O)o1 ZINC001289635139 1061269078 /nfs/dbraw/zinc/26/90/78/1061269078.db2.gz LNEHCGLPSZDIGQ-AWEZNQCLSA-N 0 0 476.335 2.562 20 0 JFADRN CN(c1cccc(CNC(=O)[C@@]2(C)CC2(Br)Br)c1)S(C)(=O)=O ZINC001289638934 1061270721 /nfs/dbraw/zinc/27/07/21/1061270721.db2.gz UGNRFGSCGRQKNM-CYBMUJFWSA-N 0 0 454.184 2.595 20 0 JFADRN Cc1ccc(CN(C)c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCCNS(C)(=O)=O)s1 ZINC001289641069 1061271810 /nfs/dbraw/zinc/27/18/10/1061271810.db2.gz JKBZHMGQNGEIPW-UHFFFAOYSA-N 0 0 487.611 2.540 20 0 JFADRN O=C(NCc1cccc(NS(=O)(=O)C2CC2)c1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001289646105 1061273359 /nfs/dbraw/zinc/27/33/59/1061273359.db2.gz VPGHIFIWVLFRIP-GOSISDBHSA-N 0 0 459.543 2.898 20 0 JFADRN Cc1ccc(CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)cc2)o1 ZINC001289646502 1061273416 /nfs/dbraw/zinc/27/34/16/1061273416.db2.gz CJWCTWFGAMKWDK-LJQANCHMSA-N 0 0 479.990 2.851 20 0 JFADRN Cc1ccc(CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCC(F)(F)CC2)o1 ZINC001289646678 1061273477 /nfs/dbraw/zinc/27/34/77/1061273477.db2.gz GDQYEOMGWNPHSG-GOSISDBHSA-N 0 0 487.573 2.974 20 0 JFADRN CC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCc2cnn(C)c2)[C@@H](C)C1 ZINC001286871894 1061276175 /nfs/dbraw/zinc/27/61/75/1061276175.db2.gz MDPPLGTTWVZFSM-ZWKOTPCHSA-N 0 0 469.565 2.981 20 0 JFADRN Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC(F)(F)F)CC2)c(=O)n1C ZINC001289653869 1061276581 /nfs/dbraw/zinc/27/65/81/1061276581.db2.gz LCFDIPMZVRYADO-UHFFFAOYSA-N 0 0 466.508 2.738 20 0 JFADRN Cc1ccc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN(S(C)(=O)=O)CC2)s1 ZINC001289654894 1061276832 /nfs/dbraw/zinc/27/68/32/1061276832.db2.gz CQBLOGMBYCMMHH-UHFFFAOYSA-N 0 0 488.639 2.647 20 0 JFADRN Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)c(F)c1 ZINC001289654964 1061276950 /nfs/dbraw/zinc/27/69/50/1061276950.db2.gz VKLHIFHMWTZUIB-UHFFFAOYSA-N 0 0 496.509 2.905 20 0 JFADRN CC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001286872683 1061279613 /nfs/dbraw/zinc/27/96/13/1061279613.db2.gz SQOKSXMDWOWLPP-WATLYSKOSA-N 0 0 477.650 2.829 20 0 JFADRN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCCC[C@H]([C@@H]4CCOC4)C3)cc2)C[C@@H](C)O1 ZINC001289660973 1061280334 /nfs/dbraw/zinc/28/03/34/1061280334.db2.gz URLBTTKNWKOEGY-RMVXJAJNSA-N 0 0 450.601 2.763 20 0 JFADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)s1 ZINC001289661011 1061280762 /nfs/dbraw/zinc/28/07/62/1061280762.db2.gz AZYGTSBFKSYCHT-IAGOWNOFSA-N 0 0 496.703 2.684 20 0 JFADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(CC(C)C)C(C)C)c(N2CCOCC2)c1 ZINC001289661122 1061281245 /nfs/dbraw/zinc/28/12/45/1061281245.db2.gz CHDNKJQLUVUMNO-HXUWFJFHSA-N 0 0 492.690 2.952 20 0 JFADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(Br)o2)cn1 ZINC001289661727 1061281262 /nfs/dbraw/zinc/28/12/62/1061281262.db2.gz GLKBQGWFSIXBJZ-CYBMUJFWSA-N 0 0 483.392 2.632 20 0 JFADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOC3(CCCCC3)C2)s1 ZINC001289661556 1061281320 /nfs/dbraw/zinc/28/13/20/1061281320.db2.gz GFSYGKRXLYIUJP-MRXNPFEDSA-N 0 0 453.634 2.846 20 0 JFADRN Cc1csc([C@H]2CN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3ccc(C)cc3)CCO2)n1 ZINC001289661855 1061281847 /nfs/dbraw/zinc/28/18/47/1061281847.db2.gz HCSRCUMCEWPVHY-FUHWJXTLSA-N 0 0 476.628 2.588 20 0 JFADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(Cc2ccc(F)cc2)C2CC2)cn1 ZINC001289662106 1061282234 /nfs/dbraw/zinc/28/22/34/1061282234.db2.gz KBJRIGPDIAJOIZ-INIZCTEOSA-N 0 0 458.563 2.948 20 0 JFADRN CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)CN2CCOCC2)[C@@H](C)C1 ZINC001286872905 1061282404 /nfs/dbraw/zinc/28/24/04/1061282404.db2.gz VXUWMOYLAGMIPY-AABGKKOBSA-N 0 0 488.608 2.583 20 0 JFADRN CC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCC(=O)N(C)C)CC1 ZINC001286872878 1061282439 /nfs/dbraw/zinc/28/24/39/1061282439.db2.gz VELNHZNJEPFKPT-MRXNPFEDSA-N 0 0 462.982 2.608 20 0 JFADRN CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCC(=O)N(C)C)CC1 ZINC001286872877 1061282459 /nfs/dbraw/zinc/28/24/59/1061282459.db2.gz VELNHZNJEPFKPT-INIZCTEOSA-N 0 0 462.982 2.608 20 0 JFADRN Cc1ccc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CC(=O)NC(C)(C)C)c(=O)n1C ZINC001289662813 1061283694 /nfs/dbraw/zinc/28/36/94/1061283694.db2.gz PYSPRHKFIAYGHC-QGZVFWFLSA-N 0 0 484.576 2.964 20 0 JFADRN Cc1nc(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3ccc(C)cc3)CC2)sc1C ZINC001289663081 1061284372 /nfs/dbraw/zinc/28/43/72/1061284372.db2.gz RUFPQLDMSMCOPM-KRWDZBQOSA-N 0 0 489.671 2.645 20 0 JFADRN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC=C(Br)C2)cc1 ZINC001289663449 1061285258 /nfs/dbraw/zinc/28/52/58/1061285258.db2.gz VSKKRMLSAYLUMM-CQSZACIVSA-N 0 0 454.394 2.734 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC2CCOCC2)[C@H](C)C1 ZINC001286873279 1061285340 /nfs/dbraw/zinc/28/53/40/1061285340.db2.gz DTSOLFMDQPCKDJ-OAHLLOKOSA-N 0 0 495.422 2.678 20 0 JFADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C3CCOCC3)C2)s1 ZINC001289663476 1061285673 /nfs/dbraw/zinc/28/56/73/1061285673.db2.gz WAPODJKPSQFMTN-DOTOQJQBSA-N 0 0 453.634 2.559 20 0 JFADRN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(Oc3ncccc3F)CC2)cc1 ZINC001289663470 1061285729 /nfs/dbraw/zinc/28/57/29/1061285729.db2.gz VZHSMHYGYAMXDP-KRWDZBQOSA-N 0 0 488.589 2.827 20 0 JFADRN Cc1ccc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)c(=O)n1C ZINC001289665717 1061287755 /nfs/dbraw/zinc/28/77/55/1061287755.db2.gz PZTPGCBVKJWNIL-OAQYLSRUSA-N 0 0 483.638 2.921 20 0 JFADRN Cc1ccc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@@H](S(C)(=O)=O)C2)c(=O)n1C ZINC001289668620 1061289135 /nfs/dbraw/zinc/28/91/35/1061289135.db2.gz GJDQVMYHIVSFJE-MRXNPFEDSA-N 0 0 496.420 2.931 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccccc3Br)n2CC[C@H]2COCCO2)[C@H](C)C1 ZINC001286874472 1061289196 /nfs/dbraw/zinc/28/91/96/1061289196.db2.gz PZKSYVGLJBIDCW-WBVHZDCISA-N 0 0 478.391 2.570 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)C(C)(C)C)CC12CCCCC2 ZINC001286874584 1061289591 /nfs/dbraw/zinc/28/95/91/1061289591.db2.gz RQYRQICLLUPZGH-UHFFFAOYSA-N 0 0 467.618 2.874 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccc(O)c2)[C@H](C)C1 ZINC001286874545 1061289738 /nfs/dbraw/zinc/28/97/38/1061289738.db2.gz RYKYCSYTMBQNSL-CQSZACIVSA-N 0 0 473.375 2.857 20 0 JFADRN Cc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)s1 ZINC001289670755 1061290628 /nfs/dbraw/zinc/29/06/28/1061290628.db2.gz WRUWZXBRKXVUSW-QGZVFWFLSA-N 0 0 462.645 2.810 20 0 JFADRN Cc1ccc(Cn2c(-c3cccn3C)nnc2N2CCS(=O)(=O)CC2)c(OCC(F)(F)F)c1 ZINC001289671927 1061291317 /nfs/dbraw/zinc/29/13/17/1061291317.db2.gz SMMYMTRFZODJCQ-UHFFFAOYSA-N 0 0 483.516 2.816 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([S@@](C)=O)CC2)[C@H](C)C1 ZINC001286875138 1061291358 /nfs/dbraw/zinc/29/13/58/1061291358.db2.gz WLWOVHHTUOCMSE-ORCIVFGKSA-N 0 0 467.542 2.515 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOC2CCCC2)[C@@H](C)C1 ZINC001286875708 1061292280 /nfs/dbraw/zinc/29/22/80/1061292280.db2.gz XAGSLCBFMOFQSM-SFHVURJKSA-N 0 0 489.642 2.755 20 0 JFADRN Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)c(F)c1 ZINC001289676162 1061292364 /nfs/dbraw/zinc/29/23/64/1061292364.db2.gz AJKZQDNPEPAAPV-WMLDXEAASA-N 0 0 454.472 2.798 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCSC2)CC1 ZINC001286875798 1061292518 /nfs/dbraw/zinc/29/25/18/1061292518.db2.gz XMBATUZCTGEOCR-CQSZACIVSA-N 0 0 453.410 2.847 20 0 JFADRN Cc1ccc(Cn2c(C3CCC3)nnc2N(C)[C@H](C)CS(C)(=O)=O)c(O[C@@H]2CCOC2)c1 ZINC001289676191 1061292914 /nfs/dbraw/zinc/29/29/14/1061292914.db2.gz BCGPVONBNBBWMM-YLJYHZDGSA-N 0 0 462.616 2.939 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCS(C)(=O)=O)[C@@H](C)C1 ZINC001286876146 1061293411 /nfs/dbraw/zinc/29/34/11/1061293411.db2.gz IXUZRVUAYOCORC-CVEARBPZSA-N 0 0 479.672 2.623 20 0 JFADRN CC(=O)N1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCSCC(C)C)[C@@H](C)C1 ZINC001286876240 1061293427 /nfs/dbraw/zinc/29/34/27/1061293427.db2.gz MDSWICQJQPHQSW-SFHVURJKSA-N 0 0 483.646 2.757 20 0 JFADRN 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Cc1ccc(SCc2nnc(N3CCN(CC(F)F)CC3)n2CCCN2CCOCC2)cc1 ZINC001289879821 1061565380 /nfs/dbraw/zinc/56/53/80/1061565380.db2.gz VMKBYWZKZORROW-UHFFFAOYSA-N 0 0 480.629 2.988 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(Cc3ccccc3F)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001286933687 1061566023 /nfs/dbraw/zinc/56/60/23/1061566023.db2.gz ATAKRLBANMLBDU-UHFFFAOYSA-N 0 0 468.581 2.755 20 0 JFADRN CN(CC[C@@H]1CCCCN1C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1)C(=O)OC(C)(C)C ZINC001289884247 1061568696 /nfs/dbraw/zinc/56/86/96/1061568696.db2.gz LFVLPUMKNZNGPI-TYPHKJRUSA-N 0 0 460.575 2.618 20 0 JFADRN Cc1ccc(SCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)O[C@@H](C3CC3)C2)cc1 ZINC001289884178 1061568727 /nfs/dbraw/zinc/56/87/27/1061568727.db2.gz KNHBSVJFMLCYMG-FUHIMQAGSA-N 0 0 479.672 2.993 20 0 JFADRN CC(=O)NCC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCOC2)CC1 ZINC001286934285 1061568970 /nfs/dbraw/zinc/56/89/70/1061568970.db2.gz GXHZUIGGXAGVOX-HXUWFJFHSA-N 0 0 490.649 2.782 20 0 JFADRN 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Cc1cccc(-c2nnc(N(C)CCOc3ccc(F)cc3)n2CC2(C(N)=O)CCOCC2)n1 ZINC001289931563 1061623289 /nfs/dbraw/zinc/62/32/89/1061623289.db2.gz NDQSHRSOMAXLDU-UHFFFAOYSA-N 0 0 468.533 2.585 20 0 JFADRN CC(=O)NC[C@H]1CN(c2nnc(CCc3ccccc3)n2Cc2ccc(OC(C)C)nc2)CCO1 ZINC001286945323 1061623574 /nfs/dbraw/zinc/62/35/74/1061623574.db2.gz LMWQOBGTRHXSEK-QHCPKHFHSA-N 0 0 478.597 2.635 20 0 JFADRN CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001294139507 1061625119 /nfs/dbraw/zinc/62/51/19/1061625119.db2.gz VYPVSNKQKOKMRT-MJGOQNOKSA-N 0 0 464.611 2.834 20 0 JFADRN CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001294139504 1061625297 /nfs/dbraw/zinc/62/52/97/1061625297.db2.gz VYPVSNKQKOKMRT-IEBWSBKVSA-N 0 0 464.611 2.834 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(C3CCCC3)n2CCCN(C)c2ccccc2F)CCO1 ZINC001286945659 1061626738 /nfs/dbraw/zinc/62/67/38/1061626738.db2.gz XKJIPDNSZBVNPC-HXUWFJFHSA-N 0 0 458.582 2.943 20 0 JFADRN CC(=O)NCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001286945766 1061628038 /nfs/dbraw/zinc/62/80/38/1061628038.db2.gz IPBNXTQKBYGMCE-NRFANRHFSA-N 0 0 497.644 2.805 20 0 JFADRN CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001294140236 1061628217 /nfs/dbraw/zinc/62/82/17/1061628217.db2.gz ZOONUJOCVKIKTF-UYAOXDASSA-N 0 0 496.703 2.746 20 0 JFADRN CC(=O)Nc1ccc(OC(=O)CCNS(=O)(=O)c2cccc(Br)c2)c(F)c1 ZINC001294141052 1061629363 /nfs/dbraw/zinc/62/93/63/1061629363.db2.gz ZUCLVFBTAZEGFI-UHFFFAOYSA-N 0 0 459.293 2.821 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2CCOc2ccc(Cl)cn2)CCO1 ZINC001286946018 1061630067 /nfs/dbraw/zinc/63/00/67/1061630067.db2.gz JARXIMFUCIKWPY-OAQYLSRUSA-N 0 0 484.988 2.646 20 0 JFADRN CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCO[C@H]2CCCC[C@@H]2C)CCO1 ZINC001286946033 1061630135 /nfs/dbraw/zinc/63/01/35/1061630135.db2.gz JDUGORILAQJSBW-NMNUPHIUSA-N 0 0 473.593 2.945 20 0 JFADRN 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ZINC001294200553 1061707138 /nfs/dbraw/zinc/70/71/38/1061707138.db2.gz XQGWHYZWIGRAPB-UHFFFAOYSA-N 0 0 453.564 2.893 20 0 JFADRN CC(=O)NCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001286954999 1061707596 /nfs/dbraw/zinc/70/75/96/1061707596.db2.gz RJOKMVWFXOORPR-OAQYLSRUSA-N 0 0 479.629 2.796 20 0 JFADRN CCO[C@H](C)c1nc(CN2CCN(C(=O)[C@@]3(c4ccccc4)CCC(=O)NC3)CC2)cs1 ZINC001294201733 1061708415 /nfs/dbraw/zinc/70/84/15/1061708415.db2.gz NVADBAYBPQEEGK-KOSHJBKYSA-N 0 0 456.612 2.733 20 0 JFADRN CC(=O)NCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001286955137 1061708335 /nfs/dbraw/zinc/70/83/35/1061708335.db2.gz MCSWKWMROHOPFF-HSALFYBXSA-N 0 0 490.649 2.706 20 0 JFADRN CC(=O)NCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC001286955278 1061708768 /nfs/dbraw/zinc/70/87/68/1061708768.db2.gz UZNVWIANYPMOFA-QFIPXVFZSA-N 0 0 497.644 2.582 20 0 JFADRN CC(=O)NCCCn1c(COc2ccccc2F)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001286955411 1061709349 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RCSKSHVMQRBHIJ-NRFANRHFSA-N 0 0 456.635 2.913 20 0 JFADRN Cc1cccc(CCn2c(CC(C)(C)C)nnc2N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1 ZINC001290023546 1061744431 /nfs/dbraw/zinc/74/44/31/1061744431.db2.gz TVZLRIWMUQCMJW-UHFFFAOYSA-N 0 0 495.672 2.753 20 0 JFADRN Cc1cccc(CN(Cc2ccco2)c2nnc(C(=O)NC(C)C)n2CCC(=O)N2CCOCC2)c1 ZINC001290022820 1061744479 /nfs/dbraw/zinc/74/44/79/1061744479.db2.gz FZWHLKSYIJATGA-UHFFFAOYSA-N 0 0 494.596 2.773 20 0 JFADRN Cc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)c1 ZINC001290028155 1061746741 /nfs/dbraw/zinc/74/67/41/1061746741.db2.gz CDLZMWMUTCKNDP-HYBUGGRVSA-N 0 0 491.658 2.609 20 0 JFADRN Cc1cc(C)n([C@@H]2CCCN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3cccc(C)c3)C2)n1 ZINC001290028775 1061747292 /nfs/dbraw/zinc/74/72/92/1061747292.db2.gz VMEFUJDFUDQXLE-PZJWPPBQSA-N 0 0 471.631 2.900 20 0 JFADRN C[C@H](C(=O)NC1CCCC1)N1CCN(c2nnc(-c3ccccc3)n2CCCCCO)CC1 ZINC001286971672 1061749434 /nfs/dbraw/zinc/74/94/34/1061749434.db2.gz AQCCJGXCYKUOFO-HXUWFJFHSA-N 0 0 454.619 2.677 20 0 JFADRN Cc1cccc(CCn2c(Cc3ccc(F)cc3)nnc2N2CCC(CNS(C)(=O)=O)CC2)n1 ZINC001290033765 1061749785 /nfs/dbraw/zinc/74/97/85/1061749785.db2.gz BMQSMCYSHRCZPF-UHFFFAOYSA-N 0 0 486.617 2.720 20 0 JFADRN C[C@@H](C(=O)NC1CCCC1)N1CCN(c2nnc(-c3cccnc3)n2CCOC(C)(C)C)CC1 ZINC001286971685 1061749906 /nfs/dbraw/zinc/74/99/06/1061749906.db2.gz AWEKGNSIOOJLFU-IBGZPJMESA-N 0 0 469.634 2.725 20 0 JFADRN Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)c1 ZINC001290034985 1061751303 /nfs/dbraw/zinc/75/13/03/1061751303.db2.gz YGOZYKFZBLPGNG-UHFFFAOYSA-N 0 0 478.519 2.652 20 0 JFADRN Cc1cccc(CCn2c(CN3CCCC3=O)nnc2N2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC001290034958 1061751323 /nfs/dbraw/zinc/75/13/23/1061751323.db2.gz GDUMKANMTVESGZ-UHFFFAOYSA-N 0 0 482.526 2.974 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCc1cccc(F)c1 ZINC001286972059 1061751652 /nfs/dbraw/zinc/75/16/52/1061751652.db2.gz DOVVSQZHERLJJW-IAGOWNOFSA-N 0 0 488.589 2.955 20 0 JFADRN Cc1cccc(CCn2c(CN3CCCC3=O)nnc2N(C)CC(C)(C)CN2CCOCC2)c1 ZINC001290036286 1061751691 /nfs/dbraw/zinc/75/16/91/1061751691.db2.gz JNAXXXOUGCBZKL-UHFFFAOYSA-N 0 0 468.646 2.746 20 0 JFADRN Cc1cccc(CCn2c(Cc3ccccc3C)nnc2N2CCCN(S(C)(=O)=O)CC2)n1 ZINC001290035006 1061751738 /nfs/dbraw/zinc/75/17/38/1061751738.db2.gz GNIJUZTYGGQNET-UHFFFAOYSA-N 0 0 468.627 2.595 20 0 JFADRN C[C@H](NC(=O)c1[nH]ncc1I)c1cc(F)ccc1N1CCC(O)CC1 ZINC001294242502 1061752428 /nfs/dbraw/zinc/75/24/28/1061752428.db2.gz RCYBVXNBHSVQRF-JTQLQIEISA-N 0 0 458.275 2.606 20 0 JFADRN C[C@@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001294242645 1061752446 /nfs/dbraw/zinc/75/24/46/1061752446.db2.gz UADOAJJDRVRRJC-QRWLVFNGSA-N 0 0 451.539 2.600 20 0 JFADRN CCCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCN1CCOC[C@@H]1C ZINC001294242773 1061752469 /nfs/dbraw/zinc/75/24/69/1061752469.db2.gz OMVQZCBPSVNHSR-SFHVURJKSA-N 0 0 453.591 2.539 20 0 JFADRN Cc1cccc(N2CCN(c3nnc(C(C)(C)C)n3CCCn3cc(CO)nn3)CC2)c1C ZINC001290037201 1061753198 /nfs/dbraw/zinc/75/31/98/1061753198.db2.gz GSXYLCJWOQIHLJ-UHFFFAOYSA-N 0 0 452.607 2.693 20 0 JFADRN Cc1cccc(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC3CC(F)(F)C3)CC2)c1C ZINC001290037257 1061753219 /nfs/dbraw/zinc/75/32/19/1061753219.db2.gz ISPLIECJEQDIII-KRWDZBQOSA-N 0 0 482.601 2.877 20 0 JFADRN CCCCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 ZINC001294244143 1061753212 /nfs/dbraw/zinc/75/32/12/1061753212.db2.gz BHDCFWJNOPQAKS-KRWDZBQOSA-N 0 0 485.651 2.790 20 0 JFADRN CCCCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001294244176 1061753263 /nfs/dbraw/zinc/75/32/63/1061753263.db2.gz BMKVDBWVOYIYJJ-RBUKOAKNSA-N 0 0 459.616 2.860 20 0 JFADRN CCCCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 ZINC001294246517 1061754406 /nfs/dbraw/zinc/75/44/06/1061754406.db2.gz RRENPJAESLDTCJ-SFHVURJKSA-N 0 0 451.662 2.926 20 0 JFADRN Cc1cccc(CCn2c(Cc3ccncc3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC001290037623 1061754653 /nfs/dbraw/zinc/75/46/53/1061754653.db2.gz SQGSXICJRWPVNZ-JOCHJYFZSA-N 0 0 493.612 2.940 20 0 JFADRN C[C@@H](C(=O)NC1CCCC1)N1CCN(c2nnc(C3CCCC3)n2CCN(C)CC(F)(F)F)CC1 ZINC001286972474 1061754792 /nfs/dbraw/zinc/75/47/92/1061754792.db2.gz IANOJESJWZTNOZ-SFHVURJKSA-N 0 0 499.626 2.999 20 0 JFADRN CCN1CCO[C@@H](C(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2OC)C1 ZINC001290041246 1061756285 /nfs/dbraw/zinc/75/62/85/1061756285.db2.gz WFUGXPYDKFPJPR-LJQANCHMSA-N 0 0 453.948 2.809 20 0 JFADRN Cc1cc(C)n(Cc2nnc(N3CCN(c4cccc(C)c4)CC3)n2CCC(=O)NC(C)C)n1 ZINC001290041541 1061757329 /nfs/dbraw/zinc/75/73/29/1061757329.db2.gz GLXYQYOEIWMVDT-UHFFFAOYSA-N 0 0 464.618 2.689 20 0 JFADRN CCCCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ncn(C)n1 ZINC001294252089 1061757313 /nfs/dbraw/zinc/75/73/13/1061757313.db2.gz GIFUYKFKDRXJRG-UHFFFAOYSA-N 0 0 476.626 2.822 20 0 JFADRN Cc1cccc(NC(=O)CN2CCN(c3nnc([C@H]4CCOC4)n3C[C@@](C)(O)C(C)C)CC2)c1C ZINC001290041775 1061757814 /nfs/dbraw/zinc/75/78/14/1061757814.db2.gz OYFNXBOMMXGPJY-HFZDXXHNSA-N 0 0 484.645 2.567 20 0 JFADRN Cc1cccc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCN(C)CC(F)(F)F)CC2)c1C ZINC001290041768 1061757920 /nfs/dbraw/zinc/75/79/20/1061757920.db2.gz OTVNAZZGRKYGPK-SFHVURJKSA-N 0 0 479.551 2.667 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccccc1OC(F)F ZINC001286973079 1061758381 /nfs/dbraw/zinc/75/83/81/1061758381.db2.gz MDAWTSKDCGRFQR-HOTGVXAUSA-N 0 0 499.584 2.616 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ncn(C)n1 ZINC001286973063 1061758493 /nfs/dbraw/zinc/75/84/93/1061758493.db2.gz MBBPEOKEADYZRG-GJZGRUSLSA-N 0 0 477.660 2.710 20 0 JFADRN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC001290043019 1061759116 /nfs/dbraw/zinc/75/91/16/1061759116.db2.gz QVWQUUXOBAOOAG-GCJKJVERSA-N 0 0 457.596 2.943 20 0 JFADRN CCOC(=O)N1CCC(NC(=O)C2(C3(O)CCN(C(=O)OC(C)(C)C)CC3)CCC2)CC1 ZINC001290043284 1061759643 /nfs/dbraw/zinc/75/96/43/1061759643.db2.gz SBSGEQVCUPLTKT-UHFFFAOYSA-N 0 0 453.580 2.656 20 0 JFADRN Cc1cccc(NC2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCCCS(C)(=O)=O)CC2)c1 ZINC001290043319 1061759664 /nfs/dbraw/zinc/75/96/64/1061759664.db2.gz BIZFXUQITWMWTR-NRFANRHFSA-N 0 0 488.658 2.833 20 0 JFADRN Cc1cccc(NC2CCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CC(=O)N(C)C)CC2)c1 ZINC001290043386 1061759743 /nfs/dbraw/zinc/75/97/43/1061759743.db2.gz BRQIPTKAKLSZLW-RUZDIDTESA-N 0 0 470.618 2.796 20 0 JFADRN CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001294256759 1061761259 /nfs/dbraw/zinc/76/12/59/1061761259.db2.gz LUUXGGFLFPOKLC-BEFAXECRSA-N 0 0 453.584 2.778 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@H]2CCCOC2)c1 ZINC001290044743 1061761563 /nfs/dbraw/zinc/76/15/63/1061761563.db2.gz ODVOSPKTGPNQHC-QYZOEREBSA-N 0 0 450.605 2.850 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1c[nH]c2ccc(F)cc12 ZINC001286973426 1061761554 /nfs/dbraw/zinc/76/15/54/1061761554.db2.gz QZIJPOYLRUISRS-HZPDHXFCSA-N 0 0 490.605 2.635 20 0 JFADRN CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001294261271 1061763005 /nfs/dbraw/zinc/76/30/05/1061763005.db2.gz COQVTPUNODJLEX-AWEZNQCLSA-N 0 0 486.436 2.986 20 0 JFADRN C[C@H](C(=O)NC1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2C[C@H]2OCCC2(C)C)CC1 ZINC001286973665 1061764036 /nfs/dbraw/zinc/76/40/36/1061764036.db2.gz VCXZHDWKUNEHOJ-UYAOXDASSA-N 0 0 460.667 2.960 20 0 JFADRN C[C@@H](C(=O)NC1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001286973663 1061764063 /nfs/dbraw/zinc/76/40/63/1061764063.db2.gz VCXZHDWKUNEHOJ-ICSRJNTNSA-N 0 0 460.667 2.960 20 0 JFADRN CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 ZINC001294262109 1061764098 /nfs/dbraw/zinc/76/40/98/1061764098.db2.gz JLYOKEVSXMFNGX-UHFFFAOYSA-N 0 0 453.551 2.778 20 0 JFADRN CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(CC(=O)NCC)CC1 ZINC001294262582 1061764206 /nfs/dbraw/zinc/76/42/06/1061764206.db2.gz NNNKBNNTORYGTF-UHFFFAOYSA-N 0 0 479.423 2.774 20 0 JFADRN CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001294261907 1061764249 /nfs/dbraw/zinc/76/42/49/1061764249.db2.gz UCHHJDDMSHCYDY-SFHVURJKSA-N 0 0 461.636 2.651 20 0 JFADRN CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001290046109 1061764223 /nfs/dbraw/zinc/76/42/23/1061764223.db2.gz MYGCKKUZSXNJAR-QFIPXVFZSA-N 0 0 453.605 2.602 20 0 JFADRN C[C@@H](C(=O)NC1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CCCOCC2CC2)CC1 ZINC001286973814 1061764642 /nfs/dbraw/zinc/76/46/42/1061764642.db2.gz XAJRWYBJWUXISD-IBGZPJMESA-N 0 0 460.667 2.962 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCO[C@H](C)C2)c1 ZINC001290046287 1061764606 /nfs/dbraw/zinc/76/46/06/1061764606.db2.gz DRGRXEVYKXWDLX-VAMGGRTRSA-N 0 0 462.616 2.994 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)C3CCCCC3)n2CC2(O)CCS(=O)(=O)CC2)c1 ZINC001290046299 1061765203 /nfs/dbraw/zinc/76/52/03/1061765203.db2.gz DUVLVIKAEATGIE-UHFFFAOYSA-N 0 0 462.616 2.874 20 0 JFADRN O=C(NC[C@@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1)c1ccccc1 ZINC001294265520 1061765279 /nfs/dbraw/zinc/76/52/79/1061765279.db2.gz YMNPPODFPPTPKI-IBGZPJMESA-N 0 0 459.543 2.691 20 0 JFADRN Cn1c(=O)cccc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC001290046973 1061765869 /nfs/dbraw/zinc/76/58/69/1061765869.db2.gz YDWFHHJVIRDCAV-UHFFFAOYSA-N 0 0 455.492 2.600 20 0 JFADRN O=C(c1c(Cl)ccnc1Br)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001290046980 1061766088 /nfs/dbraw/zinc/76/60/88/1061766088.db2.gz YRGAPXKGMMJFDD-UHFFFAOYSA-N 0 0 458.765 2.785 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@](C)(O)c1ccccc1 ZINC001286974062 1061766184 /nfs/dbraw/zinc/76/61/84/1061766184.db2.gz AEHQVEUHDBIPOG-HHJKRLRDSA-N 0 0 496.637 2.682 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccnc(OC2CCCC2)c1 ZINC001286974161 1061766755 /nfs/dbraw/zinc/76/67/55/1061766755.db2.gz BJBAQGYDWNJZHK-ZIFCJYIRSA-N 0 0 477.631 2.805 20 0 JFADRN CCCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC001294272224 1061767524 /nfs/dbraw/zinc/76/75/24/1061767524.db2.gz PULBIJFQXGDLIF-UHFFFAOYSA-N 0 0 473.603 2.644 20 0 JFADRN Cc1c(CN(C)c2nnc(COc3cccc(C)c3)n2CC2CCS(=O)(=O)CC2)cnn1C ZINC001290047758 1061767824 /nfs/dbraw/zinc/76/78/24/1061767824.db2.gz UIOSVIXICBJIPX-UHFFFAOYSA-N 0 0 472.615 2.669 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2C[C@@H]2CCOC[C@@H]2C)c1 ZINC001290048067 1061768334 /nfs/dbraw/zinc/76/83/34/1061768334.db2.gz XGHKJVLSYVKUBT-PMACEKPBSA-N 0 0 491.658 2.698 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@](C)(O)c1cccc(Cl)c1 ZINC001286974452 1061769323 /nfs/dbraw/zinc/76/93/23/1061769323.db2.gz FYNNWJYNVLPUMU-TXXWUTRGSA-N 0 0 485.050 2.991 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(F)cn1)S(C)(=O)=O ZINC001286974556 1061769334 /nfs/dbraw/zinc/76/93/34/1061769334.db2.gz HAZWBWGPLQSBMH-UONOGXRCSA-N 0 0 467.517 2.987 20 0 JFADRN CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001294278675 1061770109 /nfs/dbraw/zinc/77/01/09/1061770109.db2.gz MXJSFNDPUARYAQ-KRWDZBQOSA-N 0 0 471.606 2.849 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N1CCCCC1)S(C)(=O)=O ZINC001286974846 1061771066 /nfs/dbraw/zinc/77/10/66/1061771066.db2.gz BGAGMJGBLDQKOV-QEUVDIPISA-N 0 0 497.706 2.857 20 0 JFADRN CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccc(Cl)cc1 ZINC001294279816 1061771035 /nfs/dbraw/zinc/77/10/35/1061771035.db2.gz GVSZKTWLWBVRMH-SFHVURJKSA-N 0 0 472.011 2.580 20 0 JFADRN CNc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1F ZINC001290053499 1061771594 /nfs/dbraw/zinc/77/15/94/1061771594.db2.gz GLCYGKGRLVAYEM-UHFFFAOYSA-N 0 0 456.337 2.777 20 0 JFADRN CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001294280454 1061771595 /nfs/dbraw/zinc/77/15/95/1061771595.db2.gz KPDZHLBOJWYGEY-IBGZPJMESA-N 0 0 451.637 2.599 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1OCCC1(C)C ZINC001286974877 1061771635 /nfs/dbraw/zinc/77/16/35/1061771635.db2.gz AJCXUCZXPCDRDV-QINHECLXSA-N 0 0 478.615 2.789 20 0 JFADRN CCCCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001294280638 1061772304 /nfs/dbraw/zinc/77/23/04/1061772304.db2.gz JAPOMKPLUGHDRY-UHFFFAOYSA-N 0 0 458.563 2.714 20 0 JFADRN CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(OC)cc1)C1CC1 ZINC001294281575 1061772669 /nfs/dbraw/zinc/77/26/69/1061772669.db2.gz SNWFXTSRULENAM-FQEVSTJZSA-N 0 0 463.604 2.589 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc32)n1CCCO[C@H]1CCOC1 ZINC001286975132 1061773272 /nfs/dbraw/zinc/77/32/72/1061773272.db2.gz BDEGLPJFSYZCFA-KURKYZTESA-N 0 0 475.615 2.880 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccn(C)n1)S(C)(=O)=O ZINC001286975141 1061773782 /nfs/dbraw/zinc/77/37/82/1061773782.db2.gz LDPFXWGRWBYSLH-LSDHHAIUSA-N 0 0 450.996 2.562 20 0 JFADRN CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001294282562 1061773888 /nfs/dbraw/zinc/77/38/88/1061773888.db2.gz YSTNQGDGKJHCPK-LJQANCHMSA-N 0 0 456.595 2.967 20 0 JFADRN CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001294282587 1061774046 /nfs/dbraw/zinc/77/40/46/1061774046.db2.gz YUMPPLGHCBXXRN-SJORKVTESA-N 0 0 455.625 2.816 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001286975152 1061774395 /nfs/dbraw/zinc/77/43/95/1061774395.db2.gz LDTVPDQOVBDAHG-YZLZLFLDSA-N 0 0 484.066 2.996 20 0 JFADRN COC(=O)c1ccc(CNC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)cn1 ZINC001294283276 1061774516 /nfs/dbraw/zinc/77/45/16/1061774516.db2.gz HNZZLEIKLDVKAA-UHFFFAOYSA-N 0 0 459.458 2.603 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCCOC1 ZINC001286975180 1061774716 /nfs/dbraw/zinc/77/47/16/1061774716.db2.gz CBPXYBXIMCCFOX-CEXWTWQISA-N 0 0 450.605 2.584 20 0 JFADRN Cc1cccc(OCc2nnc(N(CCS(C)(=O)=O)C3CC3)n2C[C@@]2(O)CCC[C@@H]2C)c1 ZINC001290055496 1061775424 /nfs/dbraw/zinc/77/54/24/1061775424.db2.gz MQRNOJRZJAMZCH-MBSDFSHPSA-N 0 0 462.616 2.730 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(F)c(F)c1 ZINC001286975222 1061775279 /nfs/dbraw/zinc/77/52/79/1061775279.db2.gz CQHYRJSVSYWBLL-KGLIPLIRSA-N 0 0 497.593 2.854 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)CCn3cccn3)n2CC2(NC(=O)OC(C)(C)C)COC2)c1 ZINC001290055405 1061775475 /nfs/dbraw/zinc/77/54/75/1061775475.db2.gz LLSXXVMQGCHPLR-UHFFFAOYSA-N 0 0 497.600 2.792 20 0 JFADRN Cc1cccc(OCc2nnc(N(CCS(C)(=O)=O)C3CC3)n2C[C@]2(O)CCC[C@H]2C)c1 ZINC001290055497 1061775499 /nfs/dbraw/zinc/77/54/99/1061775499.db2.gz MQRNOJRZJAMZCH-WZONZLPQSA-N 0 0 462.616 2.730 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1CCCN(C)c1ccccc1F ZINC001286975338 1061775856 /nfs/dbraw/zinc/77/58/56/1061775856.db2.gz LUTLFOQWXOXJHW-KZNAEPCWSA-N 0 0 467.611 2.705 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2C[C@H]2CCO[C@@H]2C(C)C)c1 ZINC001290055932 1061775985 /nfs/dbraw/zinc/77/59/85/1061775985.db2.gz PTCFCKYMOHFUDR-WIYYLYMNSA-N 0 0 450.605 2.707 20 0 JFADRN Cc1cc(C)n(CCCn2c(COc3cccc(C)c3)nnc2N2CC(=O)N(C)[C@H](C)C2)n1 ZINC001290056025 1061776020 /nfs/dbraw/zinc/77/60/20/1061776020.db2.gz RFHXXYVJGPZVMT-HXUWFJFHSA-N 0 0 451.575 2.736 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2C[C@](C)(O)C2CCCCC2)c1 ZINC001290056217 1061776525 /nfs/dbraw/zinc/77/65/25/1061776525.db2.gz TUJSWKXQLLVZSN-QHCPKHFHSA-N 0 0 464.632 2.978 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC001290056647 1061776651 /nfs/dbraw/zinc/77/66/51/1061776651.db2.gz ZEVVUDZNAJTRGL-WOJBJXKFSA-N 0 0 493.674 2.534 20 0 JFADRN Cc1cccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001290056645 1061776698 /nfs/dbraw/zinc/77/66/98/1061776698.db2.gz ZEVVUDZNAJTRGL-BGYRXZFFSA-N 0 0 493.674 2.534 20 0 JFADRN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H]3c4cccc(F)c4CC[C@H]3C)CC2)cc1 ZINC001294292314 1061777252 /nfs/dbraw/zinc/77/72/52/1061777252.db2.gz NZEGFTOUUOXJKK-KOSHJBKYSA-N 0 0 459.587 2.880 20 0 JFADRN CCc1n[nH]c(=O)c(C(=O)N2CCN(CCCc3nc(-c4cccs4)no3)CC2)c1CC ZINC001294291978 1061777274 /nfs/dbraw/zinc/77/72/74/1061777274.db2.gz NQQKCOFVAZNGGI-UHFFFAOYSA-N 0 0 456.572 2.809 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[C@H]1CCOC1 ZINC001286975655 1061777583 /nfs/dbraw/zinc/77/75/83/1061777583.db2.gz FXTGSRWVRGYBTQ-QRVBRYPASA-N 0 0 459.616 2.966 20 0 JFADRN CCCCn1cc(Cn2c(-c3ccc(OC)cc3)nnc2N(C)CC(=O)N2CCOCC2)c(C)n1 ZINC001294294645 1061779067 /nfs/dbraw/zinc/77/90/67/1061779067.db2.gz DXZLEEWXVIQDMZ-UHFFFAOYSA-N 0 0 481.601 2.602 20 0 JFADRN CCCCn1cc(Cn2c(-c3ccccc3)nnc2N2CCCN(S(C)(=O)=O)CC2)c(C)n1 ZINC001294294691 1061779156 /nfs/dbraw/zinc/77/91/56/1061779156.db2.gz GSKBEIRIPGTOFA-UHFFFAOYSA-N 0 0 471.631 2.770 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2C[C@](C)(O)C2CC2)c1 ZINC001290058875 1061779305 /nfs/dbraw/zinc/77/93/05/1061779305.db2.gz HJTJJUZWRJCCHZ-ZHRRBRCNSA-N 0 0 481.519 2.831 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C3)n2CC(=O)N(C)C)c1 ZINC001290059563 1061779736 /nfs/dbraw/zinc/77/97/36/1061779736.db2.gz LGFAAFUQLFFMEY-RBUKOAKNSA-N 0 0 486.617 2.993 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccsc1Br ZINC001286976102 1061780706 /nfs/dbraw/zinc/78/07/06/1061780706.db2.gz NWGGXLASYNSRMZ-BZPMIXESSA-N 0 0 477.450 2.912 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CCn2cncn2)c1 ZINC001290060439 1061780746 /nfs/dbraw/zinc/78/07/46/1061780746.db2.gz VBDXZHAKQXEBSD-HXUWFJFHSA-N 0 0 480.617 2.834 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C[C@H]2COCCO2)c1 ZINC001290060239 1061780916 /nfs/dbraw/zinc/78/09/16/1061780916.db2.gz RWTMJBLDEOFJBZ-OFNKIYASSA-N 0 0 485.629 2.958 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1CCc1cc2ccccc2o1 ZINC001286976129 1061780962 /nfs/dbraw/zinc/78/09/62/1061780962.db2.gz HYLUVWOOBXMEOV-SJORKVTESA-N 0 0 473.599 2.647 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccc2c(c1)OC(C)(C)O2 ZINC001286976099 1061781009 /nfs/dbraw/zinc/78/10/09/1061781009.db2.gz HVZATHGVYFXJQW-RLFYNMQTSA-N 0 0 464.588 2.943 20 0 JFADRN CCCCn1c(N2CCN(C(=O)Cc3ccccc3F)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001294295899 1061781728 /nfs/dbraw/zinc/78/17/28/1061781728.db2.gz FYPMGAZIRZMXOY-DEOSSOPVSA-N 0 0 459.566 2.761 20 0 JFADRN C[C@H](O)c1ncc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)s1 ZINC001290061680 1061782075 /nfs/dbraw/zinc/78/20/75/1061782075.db2.gz RIMAWCVCZCDJLU-JTQLQIEISA-N 0 0 450.369 2.650 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2nccc(C(F)F)n2)CC1 ZINC001286976247 1061782181 /nfs/dbraw/zinc/78/21/81/1061782181.db2.gz CLABCVCVGWTYHW-UHFFFAOYSA-N 0 0 456.501 2.811 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC4(CCN(C)C4=O)CC3)n2CCNC(=O)C(C)(C)C)c1 ZINC001290062275 1061782519 /nfs/dbraw/zinc/78/25/19/1061782519.db2.gz CSFVDVREWQEPEF-UHFFFAOYSA-N 0 0 482.629 2.777 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCCN2CCOCC2)c1 ZINC001290062338 1061782957 /nfs/dbraw/zinc/78/29/57/1061782957.db2.gz FFFJEDJEILKZRJ-UHFFFAOYSA-N 0 0 483.535 2.781 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@@]4(CCS(=O)(=O)C4)C3)n2CC[S@](=O)C(C)(C)C)c1 ZINC001290062388 1061783070 /nfs/dbraw/zinc/78/30/70/1061783070.db2.gz GYGSAEVLLWFHFJ-HEIROHQZSA-N 0 0 494.683 2.728 20 0 JFADRN CCCCn1cc(Cn2c([C@@H](C)CC)nnc2N2CCN(C(=O)[C@H]3CCCO3)CC2)c(C)n1 ZINC001294296524 1061783311 /nfs/dbraw/zinc/78/33/11/1061783311.db2.gz QLTKASHCWGLFND-GHTZIAJQSA-N 0 0 457.623 2.973 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCOC(C)(C)C1 ZINC001286976476 1061783952 /nfs/dbraw/zinc/78/39/52/1061783952.db2.gz OVABRLUMQBJXEJ-MSOLQXFVSA-N 0 0 498.093 2.891 20 0 JFADRN Cc1cccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCCc2nccs2)c1 ZINC001290062502 1061784439 /nfs/dbraw/zinc/78/44/39/1061784439.db2.gz JRWGYERMOBMLSE-SFHVURJKSA-N 0 0 461.613 2.878 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCSC2)CC1 ZINC001286976499 1061784323 /nfs/dbraw/zinc/78/43/23/1061784323.db2.gz FXJFXRSCSPGLTQ-NRFANRHFSA-N 0 0 465.023 2.556 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCOC(C)(C)C1 ZINC001286976482 1061784387 /nfs/dbraw/zinc/78/43/87/1061784387.db2.gz OVABRLUMQBJXEJ-ROUUACIJSA-N 0 0 498.093 2.891 20 0 JFADRN CCCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)c(C)n1 ZINC001294296879 1061784340 /nfs/dbraw/zinc/78/43/40/1061784340.db2.gz SLERNWFEQJWUAF-MRXNPFEDSA-N 0 0 484.571 2.842 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC(C)(C)C)n1CC(=O)N(C)Cc1ccccc1 ZINC001286976557 1061784837 /nfs/dbraw/zinc/78/48/37/1061784837.db2.gz PAZSFLMTOGEWEB-ROUUACIJSA-N 0 0 463.648 2.783 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCOC2)CC1 ZINC001286976589 1061785590 /nfs/dbraw/zinc/78/55/90/1061785590.db2.gz JHSMWINTDQRHDK-AWEZNQCLSA-N 0 0 465.396 2.767 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1cc(-c2ccccc2)no1)S(C)(=O)=O ZINC001286976763 1061786636 /nfs/dbraw/zinc/78/66/36/1061786636.db2.gz DJZNTCBQEKOXSV-JKSUJKDBSA-N 0 0 467.555 2.696 20 0 JFADRN CCCCn1cc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)c(C)n1 ZINC001294298863 1061787154 /nfs/dbraw/zinc/78/71/54/1061787154.db2.gz OCHUTDXHWGAIPO-LJQANCHMSA-N 0 0 467.622 2.725 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC001286976784 1061787385 /nfs/dbraw/zinc/78/73/85/1061787385.db2.gz DORNFFWYXYQDCR-UMGGQSCQSA-N 0 0 495.669 2.540 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001290063170 1061787915 /nfs/dbraw/zinc/78/79/15/1061787915.db2.gz VLIQKDQDCLPOGD-UHFFFAOYSA-N 0 0 493.630 2.704 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OC(F)F)CC1 ZINC001286976919 1061787960 /nfs/dbraw/zinc/78/79/60/1061787960.db2.gz IHJQVJNLVNNOIN-MRXNPFEDSA-N 0 0 476.528 2.574 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2CCc2nccs2)c1 ZINC001290063246 1061787971 /nfs/dbraw/zinc/78/79/71/1061787971.db2.gz MUSYKNMDYWKFSS-UHFFFAOYSA-N 0 0 490.655 2.630 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOc2ccc(F)cc2)CC1 ZINC001286976989 1061788348 /nfs/dbraw/zinc/78/83/48/1061788348.db2.gz KNRSNAXZYRLNCO-UHFFFAOYSA-N 0 0 486.592 2.817 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001286976963 1061788411 /nfs/dbraw/zinc/78/84/11/1061788411.db2.gz KHKFICLIBOKGJQ-KCQAQPDRSA-N 0 0 461.510 2.850 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC2([S@](C)=O)CC2)c1 ZINC001290063577 1061788497 /nfs/dbraw/zinc/78/84/97/1061788497.db2.gz YFJUMHIRYVIFIL-XIFFEERXSA-N 0 0 473.643 2.818 20 0 JFADRN CCCCn1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)c(C)n1 ZINC001294300150 1061788856 /nfs/dbraw/zinc/78/88/56/1061788856.db2.gz XDBULWUUCYWVPU-TZIWHRDSSA-N 0 0 484.649 2.571 20 0 JFADRN CCCCn1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)c(C)n1 ZINC001294300147 1061788900 /nfs/dbraw/zinc/78/89/00/1061788900.db2.gz XDBULWUUCYWVPU-CTNGQTDRSA-N 0 0 484.649 2.571 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@@]2(C)COCCO2)c1 ZINC001290064799 1061789599 /nfs/dbraw/zinc/78/95/99/1061789599.db2.gz DPJMLJAGUBQJAG-NLFFAJNJSA-N 0 0 471.602 2.712 20 0 JFADRN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1nc2ccccc2o1 ZINC001294302247 1061789835 /nfs/dbraw/zinc/78/98/35/1061789835.db2.gz CKJSANDDOMVQIE-UHFFFAOYSA-N 0 0 459.524 2.819 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2CCO[C@H](C)C2)c1 ZINC001290065778 1061789898 /nfs/dbraw/zinc/78/98/98/1061789898.db2.gz HGUDDHGRUZWYSD-SBHAEUEKSA-N 0 0 462.616 2.994 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@H]2CCO[C@@H](C)C2)c1 ZINC001290065779 1061789918 /nfs/dbraw/zinc/78/99/18/1061789918.db2.gz HGUDDHGRUZWYSD-ZJOUEHCJSA-N 0 0 462.616 2.994 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCC(CO)CC3)n2CC2(S(C)(=O)=O)CCCC2)c1 ZINC001290065997 1061790040 /nfs/dbraw/zinc/79/00/40/1061790040.db2.gz XMPWQWUKDCXEPE-UHFFFAOYSA-N 0 0 462.616 2.732 20 0 JFADRN CCCCn1cc(Cn2c(CC)nnc2N2CCN(C(=O)c3ccc(O)cc3)CC2)c(C)n1 ZINC001294303548 1061790161 /nfs/dbraw/zinc/79/01/61/1061790161.db2.gz CNBSAHUTTKGCRK-UHFFFAOYSA-N 0 0 451.575 2.862 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CCc1ccc2c[nH]nc2c1 ZINC001286977412 1061790448 /nfs/dbraw/zinc/79/04/48/1061790448.db2.gz RUIPOASWRFNIRZ-GPMSIDNRSA-N 0 0 460.604 2.549 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CCCOC1CCCC1 ZINC001286977598 1061791419 /nfs/dbraw/zinc/79/14/19/1061791419.db2.gz FXWHCDIFICGQPJ-HZPDHXFCSA-N 0 0 481.619 2.613 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1C[C@@H](c1ccccc1)N(C)C ZINC001286977643 1061791933 /nfs/dbraw/zinc/79/19/33/1061791933.db2.gz IACVDTPIZHSVIX-LQWHRVPQSA-N 0 0 456.616 2.901 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1CCN(C)CC(F)(F)F ZINC001286977756 1061792622 /nfs/dbraw/zinc/79/26/22/1061792622.db2.gz OHZCQAWRRSYFAK-HUUCEWRRSA-N 0 0 453.575 2.763 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC1(C(N)=O)CCCC1 ZINC001286977682 1061792648 /nfs/dbraw/zinc/79/26/48/1061792648.db2.gz ICHOFJBIRPSZSS-HUUCEWRRSA-N 0 0 468.023 2.902 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1CCN(C)CC(F)(F)F ZINC001286977751 1061792774 /nfs/dbraw/zinc/79/27/74/1061792774.db2.gz OHZCQAWRRSYFAK-GJZGRUSLSA-N 0 0 453.575 2.763 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1=CCCOC1 ZINC001286977730 1061793273 /nfs/dbraw/zinc/79/32/73/1061793273.db2.gz GLSLMINNKZASGG-QZTJIDSGSA-N 0 0 470.599 2.735 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001286977813 1061794154 /nfs/dbraw/zinc/79/41/54/1061794154.db2.gz OSFMTKVTKPVXLF-UHFFFAOYSA-N 0 0 496.637 2.681 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@H]2CC(F)(F)CO2)c1 ZINC001290069649 1061794761 /nfs/dbraw/zinc/79/47/61/1061794761.db2.gz OVCLKSDOWURPKX-RTBURBONSA-N 0 0 484.569 2.993 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CCC[C@@H]2CCCCO2)c1 ZINC001290069640 1061794807 /nfs/dbraw/zinc/79/48/07/1061794807.db2.gz OPDLBDGUQWCEEC-NRFANRHFSA-N 0 0 491.658 2.987 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CC[C@@](C)(O)c1ccccc1 ZINC001286977929 1061794885 /nfs/dbraw/zinc/79/48/85/1061794885.db2.gz TWSKRFCADNHGPY-KHCICDEESA-N 0 0 471.627 2.820 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCN1C1CC1 ZINC001286978076 1061795213 /nfs/dbraw/zinc/79/52/13/1061795213.db2.gz ULIXANRIWQMMSF-LQWHRVPQSA-N 0 0 460.648 2.539 20 0 JFADRN Cc1cc([C@@](C)(O)Cn2c(COc3cccc(C)c3)nnc2N2CCN(C)C(=O)[C@H]2C)c(C)o1 ZINC001290070816 1061796233 /nfs/dbraw/zinc/79/62/33/1061796233.db2.gz GWIONSMKDJGZRE-CJAUYULYSA-N 0 0 467.570 2.950 20 0 JFADRN Cc1cc([C@](C)(O)Cn2c(COc3cccc(C)c3)nnc2N2CCN(C)C(=O)[C@H]2C)c(C)o1 ZINC001290070817 1061796390 /nfs/dbraw/zinc/79/63/90/1061796390.db2.gz GWIONSMKDJGZRE-IQGLISFBSA-N 0 0 467.570 2.950 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CCN(C)Cc1ccc(F)cc1 ZINC001286978241 1061796428 /nfs/dbraw/zinc/79/64/28/1061796428.db2.gz PPVRMOLYCPNLFE-FUHIMQAGSA-N 0 0 467.611 2.659 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001286978251 1061796968 /nfs/dbraw/zinc/79/69/68/1061796968.db2.gz STWYODFYNVQOKL-HNNXBMFYSA-N 0 0 466.508 2.939 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1CCNC(=O)OC(C)(C)C ZINC001286978292 1061797616 /nfs/dbraw/zinc/79/76/16/1061797616.db2.gz QBGFXQPMVXRXFT-ROUUACIJSA-N 0 0 479.647 2.846 20 0 JFADRN C[C@H](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)NS(=O)(=O)c1cccnc1Cl ZINC001290071514 1061798003 /nfs/dbraw/zinc/79/80/03/1061798003.db2.gz NWZOROPDFBFQRS-CQSZACIVSA-N 0 0 457.383 2.794 20 0 JFADRN CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCC(F)F)CC1 ZINC001286978316 1061798058 /nfs/dbraw/zinc/79/80/58/1061798058.db2.gz UJCXSSQFDZAPDG-UHFFFAOYSA-N 0 0 479.528 2.693 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CC2([S@@](C)=O)CC2)c1 ZINC001290071617 1061798486 /nfs/dbraw/zinc/79/84/86/1061798486.db2.gz QEHQHMSXHSKOMX-MGBGTMOVSA-N 0 0 473.643 2.771 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)c1cccc(F)c1 ZINC001286978450 1061798892 /nfs/dbraw/zinc/79/88/92/1061798892.db2.gz GZJPHMVRZMIUDC-RVKKMQEKSA-N 0 0 465.595 2.604 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(CCOc2ccccc2)n1Cc1ncnn1C(C)(C)C)S(C)(=O)=O ZINC001286978669 1061800686 /nfs/dbraw/zinc/80/06/86/1061800686.db2.gz QPCHQZQUDBJIHO-ZWKOTPCHSA-N 0 0 489.646 2.552 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(CC2CC2)n1Cc1cn(C)nc1-c1ccccc1)S(C)(=O)=O ZINC001286978723 1061801313 /nfs/dbraw/zinc/80/13/13/1061801313.db2.gz RRZHUYOGXYCQBZ-DLBZAZTESA-N 0 0 456.616 2.937 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CC1CCOCC1 ZINC001286978854 1061801649 /nfs/dbraw/zinc/80/16/49/1061801649.db2.gz WVTXVATUSOXOCV-GJZGRUSLSA-N 0 0 456.559 2.832 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1CCCN1CCc2ccccc2C1 ZINC001286978908 1061802221 /nfs/dbraw/zinc/80/22/21/1061802221.db2.gz XCKDBGOYEIGSCB-QTEQDKRBSA-N 0 0 489.686 2.878 20 0 JFADRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1Cc1cnn(-c2ccccc2)c1 ZINC001286979097 1061803911 /nfs/dbraw/zinc/80/39/11/1061803911.db2.gz KOKUUNQRXUILRS-ROUUACIJSA-N 0 0 465.583 2.832 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCCn1cccn1)S(C)(=O)=O ZINC001286979078 1061804005 /nfs/dbraw/zinc/80/40/05/1061804005.db2.gz SNIWHMWPSJOUOO-RBUKOAKNSA-N 0 0 469.615 2.826 20 0 JFADRN CO[C@]1(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)CCS(=O)(=O)C1 ZINC001294312677 1061804319 /nfs/dbraw/zinc/80/43/19/1061804319.db2.gz NYYXLQMTFUPLQZ-HXUWFJFHSA-N 0 0 451.932 2.804 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCN(CC(=O)N4CCCCC4)CC3)n2CC(F)(F)F)c1 ZINC001290075434 1061804716 /nfs/dbraw/zinc/80/47/16/1061804716.db2.gz XBQULZWHQWRFFA-UHFFFAOYSA-N 0 0 480.535 2.862 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCOCC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC001290076955 1061805068 /nfs/dbraw/zinc/80/50/68/1061805068.db2.gz DZVVOUXLBVWEKF-LJQANCHMSA-N 0 0 469.508 2.655 20 0 JFADRN C[C@H]([C@H](C)N(C)c1nnc(COc2ccccc2F)n1CCNC(=O)OC(C)(C)C)S(C)(=O)=O ZINC001286979126 1061805146 /nfs/dbraw/zinc/80/51/46/1061805146.db2.gz SZMNJNGXZOXNNP-JKSUJKDBSA-N 0 0 499.609 2.779 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCOCC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC001290076954 1061805197 /nfs/dbraw/zinc/80/51/97/1061805197.db2.gz DZVVOUXLBVWEKF-IBGZPJMESA-N 0 0 469.508 2.655 20 0 JFADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(F)(F)F)n1 ZINC001286979935 1061805615 /nfs/dbraw/zinc/80/56/15/1061805615.db2.gz JQDSZSJZDFAMNA-OLZOCXBDSA-N 0 0 456.494 2.993 20 0 JFADRN Cc1cccc(OCc2nnc(N3CCS(=O)CC3)n2CCC(=O)NC2CCCCC2)c1 ZINC001290077465 1061806095 /nfs/dbraw/zinc/80/60/95/1061806095.db2.gz FRIVRROLRVRKET-UHFFFAOYSA-N 0 0 459.616 2.573 20 0 JFADRN CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccccn3)n2CC(=O)NCCc2ccccc2)C1 ZINC001286979452 1061806701 /nfs/dbraw/zinc/80/67/01/1061806701.db2.gz AYYSCPSBLXNBFK-NRFANRHFSA-N 0 0 489.624 2.830 20 0 JFADRN Cc1nc([C@@H]2CN(c3nnc(COc4cccc(C)c4)n3CCNC(=O)C(C)(C)C)CCO2)no1 ZINC001290078030 1061807241 /nfs/dbraw/zinc/80/72/41/1061807241.db2.gz PWGUUOJBMSYSQQ-IBGZPJMESA-N 0 0 483.573 2.597 20 0 JFADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CCn1c(=O)[nH]c2ccccc21 ZINC001286979634 1061807215 /nfs/dbraw/zinc/80/72/15/1061807215.db2.gz YVXFLZICBPZSDT-HZPDHXFCSA-N 0 0 488.639 2.944 20 0 JFADRN 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C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCC(=O)N2CCCCC2)C[C@H](C(F)(F)F)O1 ZINC001291266389 1063568611 /nfs/dbraw/zinc/56/86/11/1063568611.db2.gz LSIRJIGZYGIXOW-SJLPKXTDSA-N 0 0 466.508 2.823 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCC(=O)NC(C)(C)C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291266599 1063569179 /nfs/dbraw/zinc/56/91/79/1063569179.db2.gz PDGFRUUFHOMIEH-HKUYNNGSSA-N 0 0 485.633 2.918 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2ccco2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291266775 1063570041 /nfs/dbraw/zinc/57/00/41/1063570041.db2.gz SATOLRNPWDCVEA-PKOBYXMFSA-N 0 0 495.584 2.636 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN2CCOC(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001291267389 1063570426 /nfs/dbraw/zinc/57/04/26/1063570426.db2.gz DXVPVJHRHVOXKC-HXUWFJFHSA-N 0 0 499.660 2.820 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCNC(=O)c2ccccc2F)CC(C)(C)O1 ZINC001291267354 1063570475 /nfs/dbraw/zinc/57/04/75/1063570475.db2.gz DOAVBYQBGQBWIG-QGZVFWFLSA-N 0 0 452.534 2.837 20 0 JFADRN C[C@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCC(C)(C)O)C[C@@H](C(F)(F)F)O1 ZINC001291268347 1063572993 /nfs/dbraw/zinc/57/29/93/1063572993.db2.gz VACNXMCIZRFOAB-HOCLYGCPSA-N 0 0 452.481 2.834 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCOC[C@@H]2CCOC2)CCN1CC(F)(F)F ZINC001291268396 1063573014 /nfs/dbraw/zinc/57/30/14/1063573014.db2.gz VWEOUZCSDOGBST-QUCCMNQESA-N 0 0 482.551 2.780 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC(C)(C)O1 ZINC001291268486 1063573453 /nfs/dbraw/zinc/57/34/53/1063573453.db2.gz XVCCLRANIDLVCT-GOSISDBHSA-N 0 0 485.610 2.750 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC[C@H](C(F)F)N2CCOCC2)C[C@@H](C)O1 ZINC001291269792 1063575443 /nfs/dbraw/zinc/57/54/43/1063575443.db2.gz WOFUCABXUFAHEB-JFIYKMOQSA-N 0 0 455.575 2.900 20 0 JFADRN C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC[C@@H](C(F)F)N2CCOCC2)C[C@H](C)O1 ZINC001291269793 1063575932 /nfs/dbraw/zinc/57/59/32/1063575932.db2.gz WOFUCABXUFAHEB-JZXOWHBKSA-N 0 0 455.575 2.900 20 0 JFADRN C[C@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC(C)(C)O1 ZINC001291272956 1063577641 /nfs/dbraw/zinc/57/76/41/1063577641.db2.gz ANJGHVUSKJYXQG-FPOVZHCZSA-N 0 0 475.659 2.739 20 0 JFADRN C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC(C)(C)O1 ZINC001291272955 1063577658 /nfs/dbraw/zinc/57/76/58/1063577658.db2.gz ANJGHVUSKJYXQG-CTNGQTDRSA-N 0 0 475.659 2.739 20 0 JFADRN C[C@@H]1OCC[C@@]12CN(c1nnc(CCCc3ccccc3)n1CC(=O)NCC(F)(F)F)C[C@@H](C)O2 ZINC001291273550 1063578515 /nfs/dbraw/zinc/57/85/15/1063578515.db2.gz KWIQOVFUXQDHDS-IEGUWTFLSA-N 0 0 495.546 2.905 20 0 JFADRN C[C@H]1OCC[C@@]12CN(c1nnc(CCCc3ccccc3)n1CC(=O)NCC(F)(F)F)C[C@@H](C)O2 ZINC001291273551 1063578594 /nfs/dbraw/zinc/57/85/94/1063578594.db2.gz KWIQOVFUXQDHDS-PMAPCBKXSA-N 0 0 495.546 2.905 20 0 JFADRN C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCNS(C)(=O)=O)C[C@@H](c2ccsc2)O1 ZINC001291273948 1063579474 /nfs/dbraw/zinc/57/94/74/1063579474.db2.gz REQKOFAUZOBXCQ-XLIONFOSSA-N 0 0 475.640 2.640 20 0 JFADRN C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCNC(=O)C2CC2)C[C@H](C(F)(F)F)O1 ZINC001291274509 1063580065 /nfs/dbraw/zinc/58/00/65/1063580065.db2.gz BJULFJORMZRATF-CRAIPNDOSA-N 0 0 467.492 2.582 20 0 JFADRN C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC[C@H](C(F)F)N2CCOCC2)C[C@H](C)O1 ZINC001291274669 1063580456 /nfs/dbraw/zinc/58/04/56/1063580456.db2.gz FAKKBYLQGVQXGP-SVFBPWRDSA-N 0 0 479.572 2.869 20 0 JFADRN C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC2([S@@](C)=O)CC2)C[C@H](C(F)(F)F)O1 ZINC001291275428 1063582928 /nfs/dbraw/zinc/58/29/28/1063582928.db2.gz RFGLKECEPOUCPW-LYVMZWPRSA-N 0 0 472.533 2.967 20 0 JFADRN O=C(NCCCNc1cccc(F)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC001295551099 1063583669 /nfs/dbraw/zinc/58/36/69/1063583669.db2.gz FJYCQGBLJMQPPX-UHFFFAOYSA-N 0 0 455.939 2.732 20 0 JFADRN C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCOc2cccc(C(F)(F)F)n2)CCS1 ZINC001291275985 1063584542 /nfs/dbraw/zinc/58/45/42/1063584542.db2.gz CVCYHGUIFZRKSO-AWEZNQCLSA-N 0 0 470.521 2.835 20 0 JFADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCOc2cccc(C(F)(F)F)n2)CCS1 ZINC001291275986 1063584743 /nfs/dbraw/zinc/58/47/43/1063584743.db2.gz CVCYHGUIFZRKSO-CQSZACIVSA-N 0 0 470.521 2.835 20 0 JFADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001291276292 1063585590 /nfs/dbraw/zinc/58/55/90/1063585590.db2.gz JQMBXHYNDNYFJP-NIYFSFCBSA-N 0 0 498.628 2.754 20 0 JFADRN C[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(I)cc2)CCCO1 ZINC001291276617 1063587122 /nfs/dbraw/zinc/58/71/22/1063587122.db2.gz OWCOVUHTERYCEC-HNNXBMFYSA-N 0 0 495.365 2.669 20 0 JFADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)NC(=O)OC(C)(C)C)CC(C)(C)O1 ZINC001291276699 1063587481 /nfs/dbraw/zinc/58/74/81/1063587481.db2.gz QMEDKWHYFLKFPU-MRXNPFEDSA-N 0 0 464.611 2.708 20 0 JFADRN C[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2c(F)cccc2F)N(C)C)CCS1 ZINC001291276750 1063587498 /nfs/dbraw/zinc/58/74/98/1063587498.db2.gz RDRYNUBPTSIGCW-MAUKXSAKSA-N 0 0 464.586 2.923 20 0 JFADRN C[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2c(F)cccc2F)N(C)C)CCS1 ZINC001291276752 1063587574 /nfs/dbraw/zinc/58/75/74/1063587574.db2.gz RDRYNUBPTSIGCW-YJBOKZPZSA-N 0 0 464.586 2.923 20 0 JFADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2nc(C(F)(F)F)cs2)C[C@@H](C)O1 ZINC001291276953 1063588443 /nfs/dbraw/zinc/58/84/43/1063588443.db2.gz VIXDPVNIFWAMJV-CHWSQXEVSA-N 0 0 458.510 2.732 20 0 JFADRN C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCn2cc(Br)cn2)C[C@H]1C ZINC001291277019 1063589104 /nfs/dbraw/zinc/58/91/04/1063589104.db2.gz WGOJRTTUUSEMHJ-GASCZTMLSA-N 0 0 450.385 2.542 20 0 JFADRN C[C@H](O)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)cc1 ZINC001291276985 1063589168 /nfs/dbraw/zinc/58/91/68/1063589168.db2.gz VTLZPPHEBQGVLU-VKJFTORMSA-N 0 0 467.492 2.658 20 0 JFADRN C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[S@](=O)C(C)(C)C)C[C@H](c2ccccc2)O1 ZINC001291277201 1063589638 /nfs/dbraw/zinc/58/96/38/1063589638.db2.gz ZDABZYXSDUHYFS-QZNUFANNSA-N 0 0 473.643 2.914 20 0 JFADRN Cn1c(CNC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nnc1C1CCC1 ZINC001295557425 1063590350 /nfs/dbraw/zinc/59/03/50/1063590350.db2.gz NTDMFMUIQSBBPX-UHFFFAOYSA-N 0 0 457.531 2.881 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CCN2CCOC[C@H]2C)C[C@@H](C)O1 ZINC001291277410 1063590644 /nfs/dbraw/zinc/59/06/44/1063590644.db2.gz CIVXVHPTGONKNN-KZNAEPCWSA-N 0 0 494.434 2.954 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC(=O)N1C ZINC001291277505 1063591161 /nfs/dbraw/zinc/59/11/61/1063591161.db2.gz FGGTZEPMTOAPHV-NUJGCVRESA-N 0 0 492.418 2.838 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CCc2cccnc2)CC(=O)N1C ZINC001291277536 1063591735 /nfs/dbraw/zinc/59/17/35/1063591735.db2.gz FQXZHFXKXWAPGM-INIZCTEOSA-N 0 0 485.386 2.924 20 0 JFADRN C[C@H]1OCC[C@@]12CN(c1nnc(CNC(=O)c3cccs3)n1CCCOC(F)F)C[C@@H](C)O2 ZINC001291277590 1063591806 /nfs/dbraw/zinc/59/18/06/1063591806.db2.gz GLEMQPVXUXLUIH-VTJXTGGHSA-N 0 0 485.557 2.672 20 0 JFADRN C[C@@H](O)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001291277637 1063592269 /nfs/dbraw/zinc/59/22/69/1063592269.db2.gz HIAVOKAXRWLMGI-BRWVUGGUSA-N 0 0 455.584 2.985 20 0 JFADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCCCCO)C[C@H](C(F)(F)F)O1 ZINC001291278445 1063595635 /nfs/dbraw/zinc/59/56/35/1063595635.db2.gz VYFRLDLYEXJOJE-GDBMZVCRSA-N 0 0 475.537 2.978 20 0 JFADRN C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCOCC2)CC(C)(C)C1 ZINC001291278514 1063596043 /nfs/dbraw/zinc/59/60/43/1063596043.db2.gz XIBBLVQWLDBVHK-GOSISDBHSA-N 0 0 460.648 2.864 20 0 JFADRN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC2(C(=O)N(C)C)CCCC2)CCS1 ZINC001291278601 1063596929 /nfs/dbraw/zinc/59/69/29/1063596929.db2.gz YSNNVDGEUPLCIT-MRXNPFEDSA-N 0 0 476.672 2.860 20 0 JFADRN COc1cccc([C@H](OC)C(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)c1 ZINC001295565128 1063598873 /nfs/dbraw/zinc/59/88/73/1063598873.db2.gz FKYUBECDDCFXHD-RPWUZVMVSA-N 0 0 451.567 2.718 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCS(C)(=O)=O)CCO1 ZINC001291279579 1063599333 /nfs/dbraw/zinc/59/93/33/1063599333.db2.gz QQIABQDXFXHAMA-KRWDZBQOSA-N 0 0 450.605 2.814 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCC(=O)N(C)C)C[C@]2(CCCOC2)O1 ZINC001291280682 1063604739 /nfs/dbraw/zinc/60/47/39/1063604739.db2.gz KKUBDPUPNJPBCE-HXOBKFHXSA-N 0 0 477.993 2.763 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCS(C)(=O)=O)C[C@@H](C(F)(F)F)O1 ZINC001291280984 1063605373 /nfs/dbraw/zinc/60/53/73/1063605373.db2.gz OZSDLBPPOYUEHC-DOMZBBRYSA-N 0 0 482.912 2.711 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001291280963 1063605434 /nfs/dbraw/zinc/60/54/34/1063605434.db2.gz OQCYMORRRQVULN-JZKQVHKSSA-N 0 0 489.425 2.806 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCOC2)C[C@H](C)O1 ZINC001291281049 1063605456 /nfs/dbraw/zinc/60/54/56/1063605456.db2.gz PRGMOGIVDAWCBU-LAPQFRIASA-N 0 0 457.358 2.929 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCS(C)(=O)=O)C[C@@H](C(F)(F)F)O1 ZINC001291280987 1063605468 /nfs/dbraw/zinc/60/54/68/1063605468.db2.gz OZSDLBPPOYUEHC-WFASDCNBSA-N 0 0 482.912 2.711 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCCNC(=O)OC(C)(C)C)CC(=O)N1C ZINC001291281857 1063610262 /nfs/dbraw/zinc/61/02/62/1063610262.db2.gz FNTNQKOLJDROMH-KRWDZBQOSA-N 0 0 490.580 2.968 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCCS2(=O)=O)C[C@@H](C)O1 ZINC001291281902 1063610278 /nfs/dbraw/zinc/61/02/78/1063610278.db2.gz GHXCLRKYFCYTEC-BRWVUGGUSA-N 0 0 452.552 2.577 20 0 JFADRN C[C@H]1CN(c2nnc(COc3ccccc3F)n2Cc2nncn2C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291281948 1063610863 /nfs/dbraw/zinc/61/08/63/1063610863.db2.gz HAPIGXYTKUQDDH-RDJZCZTQSA-N 0 0 486.552 2.522 20 0 JFADRN C[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC2([S@@](C)=O)CC2)CC(=O)N1C ZINC001291282203 1063611716 /nfs/dbraw/zinc/61/17/16/1063611716.db2.gz LVDGWAREUINRFJ-NGFNCXNUSA-N 0 0 468.048 2.802 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@H]1C ZINC001291282386 1063612457 /nfs/dbraw/zinc/61/24/57/1063612457.db2.gz OPWRRBPUVHHXCM-BRWVUGGUSA-N 0 0 451.568 2.512 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[S@@](=O)C(C)(C)C)C[C@@H]1N1CCOCC1 ZINC001291282518 1063614107 /nfs/dbraw/zinc/61/41/07/1063614107.db2.gz QPEXHHGRRKXLII-UAYNZXCPSA-N 0 0 493.649 2.700 20 0 JFADRN CCN(Cc1c(F)cccc1F)c1nnc(-c2cnn(C)c2)n1CC1CCS(=O)(=O)CC1 ZINC001295576024 1063614608 /nfs/dbraw/zinc/61/46/08/1063614608.db2.gz OQPHQOKJRKJUBM-UHFFFAOYSA-N 0 0 464.542 2.808 20 0 JFADRN C[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H]2COCCO2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291282673 1063614528 /nfs/dbraw/zinc/61/45/28/1063614528.db2.gz UFEJIRPYLYMUMB-LMMKCTJWSA-N 0 0 491.564 2.761 20 0 JFADRN C[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(=O)NCC2CC2)CC(C)(C)O1 ZINC001291283490 1063618195 /nfs/dbraw/zinc/61/81/95/1063618195.db2.gz HTJDBKQYDUTTAV-AEFFLSMTSA-N 0 0 476.622 2.880 20 0 JFADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C(=O)N2CCCC2)n1CCCSC ZINC001295578415 1063618273 /nfs/dbraw/zinc/61/82/73/1063618273.db2.gz IMVXIVSIONQWAL-UHFFFAOYSA-N 0 0 458.632 2.996 20 0 JFADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C(C)(C)C)n1CC1(C(N)=O)CCOCC1 ZINC001295579006 1063619941 /nfs/dbraw/zinc/61/99/41/1063619941.db2.gz QBIHGTMWWQGBDB-UHFFFAOYSA-N 0 0 470.618 2.586 20 0 JFADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001295579032 1063619950 /nfs/dbraw/zinc/61/99/50/1063619950.db2.gz QSLUNHLCDFNJEL-LJQANCHMSA-N 0 0 482.610 2.503 20 0 JFADRN CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 ZINC001295579159 1063620462 /nfs/dbraw/zinc/62/04/62/1063620462.db2.gz KRAPLZNSAMMEOI-ZWKOTPCHSA-N 0 0 495.596 2.743 20 0 JFADRN C[C@@H](C[S@@](C)=O)N(C)C(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl ZINC001295579885 1063622826 /nfs/dbraw/zinc/62/28/26/1063622826.db2.gz DLQVRXUBWICLLB-OHZJNBGDSA-N 0 0 457.017 3.000 20 0 JFADRN C[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)CCS1 ZINC001291284671 1063623624 /nfs/dbraw/zinc/62/36/24/1063623624.db2.gz DPUQPBQPVMXMQT-BSDSXHPESA-N 0 0 471.693 2.562 20 0 JFADRN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N(C)[C@H](C)C[S@@](C)=O)c1 ZINC001295580934 1063623635 /nfs/dbraw/zinc/62/36/35/1063623635.db2.gz SVIHEMCHVLFJPI-HYDGNGQDSA-N 0 0 452.598 2.668 20 0 JFADRN COc1c(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)cccc1C(N)=O ZINC001295581192 1063624276 /nfs/dbraw/zinc/62/42/76/1063624276.db2.gz WKRZTBBAAOZNJG-UHFFFAOYSA-N 0 0 453.520 2.833 20 0 JFADRN COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](C)c2cnccc2C)c1 ZINC001295581493 1063624333 /nfs/dbraw/zinc/62/43/33/1063624333.db2.gz FKLMCIQTFDCNKS-CYBMUJFWSA-N 0 0 456.362 2.568 20 0 JFADRN C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(NC(N)=O)cc2)C[C@@H](C(F)(F)F)O1 ZINC001291285188 1063625275 /nfs/dbraw/zinc/62/52/75/1063625275.db2.gz MPYJROZJUJAEEB-WQVCFCJDSA-N 0 0 454.453 2.825 20 0 JFADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnn(C)c2)n1CC(O)(CC)CC ZINC001295582559 1063625876 /nfs/dbraw/zinc/62/58/76/1063625876.db2.gz ACEHCJJJJFSNMK-UHFFFAOYSA-N 0 0 453.591 2.958 20 0 JFADRN C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC(=O)N(C)C)C[C@@]2(CCCOC2)O1 ZINC001291285914 1063628570 /nfs/dbraw/zinc/62/85/70/1063628570.db2.gz ZIUCCGHNMYWFME-JJPBMRITSA-N 0 0 477.650 2.839 20 0 JFADRN C[C@H]1CN(Cc2cccc(Cn3c(C4CCC4)nnc3N(C)CCCS(C)(=O)=O)c2)CCO1 ZINC001291285956 1063628583 /nfs/dbraw/zinc/62/85/83/1063628583.db2.gz ABXHKLDYGRXPAQ-IBGZPJMESA-N 0 0 475.659 2.686 20 0 JFADRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC2(C)C)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC001291285963 1063629326 /nfs/dbraw/zinc/62/93/26/1063629326.db2.gz ADQZNCYBKKEQHS-RTBURBONSA-N 0 0 490.674 2.536 20 0 JFADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(Cc2ccccn2)n1Cc1ccc(C(N)=O)nc1 ZINC001295584020 1063629495 /nfs/dbraw/zinc/62/94/95/1063629495.db2.gz LGCJHSQLTLWTOD-UHFFFAOYSA-N 0 0 498.591 2.534 20 0 JFADRN C[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2([S@@](C)=O)CCC2)CCO1 ZINC001291286179 1063629908 /nfs/dbraw/zinc/62/99/08/1063629908.db2.gz DWASGMMFRAHPCF-UPGCFOMVSA-N 0 0 467.636 2.575 20 0 JFADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001295584311 1063630263 /nfs/dbraw/zinc/63/02/63/1063630263.db2.gz ODCGOOCFMDMXKK-NRSPTQNISA-N 0 0 468.602 2.509 20 0 JFADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@@H]2CCOC2)n1CC1CCN(C(C)=O)CC1 ZINC001295584263 1063630318 /nfs/dbraw/zinc/63/03/18/1063630318.db2.gz MVYZYQYURFWNTP-HSZRJFAPSA-N 0 0 482.629 2.769 20 0 JFADRN C[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCNC(=O)c2ccco2)CCCO1 ZINC001291286372 1063631453 /nfs/dbraw/zinc/63/14/53/1063631453.db2.gz IJJORCHIPPMVQD-OKZBNKHCSA-N 0 0 488.589 2.687 20 0 JFADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC=CO1 ZINC001295584830 1063631679 /nfs/dbraw/zinc/63/16/79/1063631679.db2.gz UZTGSRFPSZGDDL-SFTDATJTSA-N 0 0 487.626 2.601 20 0 JFADRN C[C@H](CC(N)=O)N(C)c1nnc(Cc2ccsc2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC001291286409 1063632259 /nfs/dbraw/zinc/63/22/59/1063632259.db2.gz IRTXDMFLVTXUED-RTBURBONSA-N 0 0 482.654 2.900 20 0 JFADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(Cc2cccnc2)n1CCC1(O)CCOCC1 ZINC001295585374 1063632257 /nfs/dbraw/zinc/63/22/57/1063632257.db2.gz ZMBSNYGCGJHRMU-UHFFFAOYSA-N 0 0 492.624 2.924 20 0 JFADRN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCCOC2)n1Cc1cnn(C)c1 ZINC001295585102 1063632267 /nfs/dbraw/zinc/63/22/67/1063632267.db2.gz WNIVXBHNLRROSR-NRFANRHFSA-N 0 0 451.575 2.682 20 0 JFADRN C[C@@H](CC(N)=O)N(C)c1nnc(Cc2ccsc2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC001291286408 1063632292 /nfs/dbraw/zinc/63/22/92/1063632292.db2.gz IRTXDMFLVTXUED-RBUKOAKNSA-N 0 0 482.654 2.900 20 0 JFADRN CCN(Cc1ccc(Cl)s1)c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(C)(=O)=O ZINC001295588453 1063633312 /nfs/dbraw/zinc/63/33/12/1063633312.db2.gz GEVXBHUWHBAUIX-UHFFFAOYSA-N 0 0 484.003 2.964 20 0 JFADRN CCN(Cc1ccc(Cl)s1)c1nnc(Cc2ccncc2)n1CC(=O)N1CCOCC1 ZINC001295588704 1063633803 /nfs/dbraw/zinc/63/38/03/1063633803.db2.gz BBRQTYNGDPMBTI-UHFFFAOYSA-N 0 0 460.991 2.864 20 0 JFADRN C[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCSCCCO)C[C@H](C)O1 ZINC001291286826 1063634456 /nfs/dbraw/zinc/63/44/56/1063634456.db2.gz PNABJNSEODHYBL-USTZCAOPSA-N 0 0 469.652 2.778 20 0 JFADRN CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF ZINC001295589517 1063634532 /nfs/dbraw/zinc/63/45/32/1063634532.db2.gz PFFYTGCEQZRFJH-NWANDNLSSA-N 0 0 478.015 2.883 20 0 JFADRN CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 ZINC001295593370 1063637402 /nfs/dbraw/zinc/63/74/02/1063637402.db2.gz ANAWMQFMUNANTA-KRWDZBQOSA-N 0 0 491.614 2.837 20 0 JFADRN C[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(O)CCOCC2)CCS1 ZINC001291287352 1063637920 /nfs/dbraw/zinc/63/79/20/1063637920.db2.gz ZUVFELAZDULEHA-YESZJQIVSA-N 0 0 467.636 2.532 20 0 JFADRN CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 ZINC001295595116 1063639378 /nfs/dbraw/zinc/63/93/78/1063639378.db2.gz KJAWFRDZRBXXHC-ZOKDDAQRSA-N 0 0 468.620 2.647 20 0 JFADRN CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001295595359 1063640158 /nfs/dbraw/zinc/64/01/58/1063640158.db2.gz OJFFJPVFTSNUEF-SVFBPWRDSA-N 0 0 493.649 2.845 20 0 JFADRN CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCO[C@@H]1CCOC1 ZINC001295596008 1063641450 /nfs/dbraw/zinc/64/14/50/1063641450.db2.gz YKNCBNDHPZPYAG-UYAOXDASSA-N 0 0 466.579 2.541 20 0 JFADRN C[C@@H]1CN(CCCn2c(-c3cccc(Cl)c3)nnc2N(C)CCS(C)(=O)=O)C[C@H](C)O1 ZINC001291287796 1063643153 /nfs/dbraw/zinc/64/31/53/1063643153.db2.gz HWXCSFSHMCHUMY-CALCHBBNSA-N 0 0 470.039 2.579 20 0 JFADRN CCC[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CC[N@@H+]1Cc1ccccc1 ZINC001295599945 1063644931 /nfs/dbraw/zinc/64/49/31/1063644931.db2.gz CSIAGJAKFVNBQV-GOSISDBHSA-N 0 0 451.539 2.756 20 0 JFADRN CCN(Cc1ccc(OC)cc1OC)c1nnc(-c2ccc[nH]2)n1CC1(S(C)(=O)=O)CC1 ZINC001295605673 1063652152 /nfs/dbraw/zinc/65/21/52/1063652152.db2.gz POWSUMWROPQLMK-UHFFFAOYSA-N 0 0 459.572 2.894 20 0 JFADRN CCN(Cc1ccc(OC)cc1OC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C(C)C ZINC001295606986 1063654704 /nfs/dbraw/zinc/65/47/04/1063654704.db2.gz GMUDKRBXYMBGCQ-MBSDFSHPSA-N 0 0 480.631 2.631 20 0 JFADRN CC[C@H](C)Oc1cc(CNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)ccn1 ZINC001295607026 1063655637 /nfs/dbraw/zinc/65/56/37/1063655637.db2.gz FATVOUYFCDQSLK-ZDUSSCGKSA-N 0 0 456.362 2.616 20 0 JFADRN CCN(Cc1ccc2c(c1)OCO2)c1nnc(C(=O)NC(C)C)n1Cc1nccc(C(F)F)n1 ZINC001295607260 1063655694 /nfs/dbraw/zinc/65/56/94/1063655694.db2.gz JFTZVIZACSPKTO-UHFFFAOYSA-N 0 0 473.484 2.947 20 0 JFADRN CCN(Cc1ccc2c(c1)OCO2)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1CCO[C@H](C)C1 ZINC001295607539 1063656190 /nfs/dbraw/zinc/65/61/90/1063656190.db2.gz MILVQTGIZOXRFK-SQNIBIBYSA-N 0 0 493.630 2.849 20 0 JFADRN O=C(N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1sccc1-n1cnnn1 ZINC001295607700 1063656253 /nfs/dbraw/zinc/65/62/53/1063656253.db2.gz IPJRXSGBZKVIKV-CQSZACIVSA-N 0 0 450.446 2.664 20 0 JFADRN CCN(Cc1ccc2c(c1)OCO2)c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCC(F)(F)F ZINC001295608897 1063658778 /nfs/dbraw/zinc/65/87/78/1063658778.db2.gz GLCSRIZQXVLEQW-UHFFFAOYSA-N 0 0 493.490 2.573 20 0 JFADRN CCN(Cc1ccc(OC)cc1OC)c1nnc([C@@H]2CCOC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001295608654 1063658831 /nfs/dbraw/zinc/65/88/31/1063658831.db2.gz XKJKEAYSNSCIJL-YLJYHZDGSA-N 0 0 457.575 2.740 20 0 JFADRN CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001295616133 1063664441 /nfs/dbraw/zinc/66/44/41/1063664441.db2.gz OUQMVXRLGNEDDM-KCZVDYSFSA-N 0 0 475.659 2.706 20 0 JFADRN CCN(Cc1ccccc1C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[S@@](=O)C(C)(C)C ZINC001295618900 1063665826 /nfs/dbraw/zinc/66/58/26/1063665826.db2.gz WMKCJFZVMQKGHW-NOVUIFNWSA-N 0 0 469.677 2.770 20 0 JFADRN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)[C@@H](OC)c2ccccc2F)c1 ZINC001295620168 1063666676 /nfs/dbraw/zinc/66/66/76/1063666676.db2.gz KHJZRMCYCLGFII-ORAYPTAESA-N 0 0 458.939 2.910 20 0 JFADRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC001295621206 1063667405 /nfs/dbraw/zinc/66/74/05/1063667405.db2.gz RXZVGOFTWCRURB-KUDFPVQQSA-N 0 0 450.532 2.789 20 0 JFADRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC001295621204 1063667478 /nfs/dbraw/zinc/66/74/78/1063667478.db2.gz RXZVGOFTWCRURB-CEQIKUNHSA-N 0 0 450.532 2.789 20 0 JFADRN CCN(Cc1ccccc1C)c1nnc(CN2CCCC2=O)n1CC1CCN(C(C)=O)CC1 ZINC001295624542 1063668957 /nfs/dbraw/zinc/66/89/57/1063668957.db2.gz KRLVBMBYERQBGQ-UHFFFAOYSA-N 0 0 452.603 2.994 20 0 JFADRN CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCS1(=O)=O ZINC001295624873 1063669944 /nfs/dbraw/zinc/66/99/44/1063669944.db2.gz GKCQXWZJTGPMGZ-GOSISDBHSA-N 0 0 463.579 2.647 20 0 JFADRN CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001295625870 1063671359 /nfs/dbraw/zinc/67/13/59/1063671359.db2.gz QZNVPEGGTNBHRN-UHFFFAOYSA-N 0 0 490.580 2.876 20 0 JFADRN CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 ZINC001295629904 1063673839 /nfs/dbraw/zinc/67/38/39/1063673839.db2.gz ORPFBPLVBAQKAK-FQEVSTJZSA-N 0 0 495.621 2.593 20 0 JFADRN CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 ZINC001295629912 1063673847 /nfs/dbraw/zinc/67/38/47/1063673847.db2.gz OYTNMOKKSXLZOC-LJQANCHMSA-N 0 0 493.605 2.824 20 0 JFADRN C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001291292265 1063675026 /nfs/dbraw/zinc/67/50/26/1063675026.db2.gz BORHPBPPZVBBJD-KZNAEPCWSA-N 0 0 499.628 2.516 20 0 JFADRN CC(C)[C@H](O)C1(CNC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1 ZINC001295632886 1063677021 /nfs/dbraw/zinc/67/70/21/1063677021.db2.gz HAUOBSUYNODULR-FQEVSTJZSA-N 0 0 452.598 2.865 20 0 JFADRN CCOC(=O)[C@@H](NC(=O)c1cn(CCOC)nc1C)c1ccc(OC)c(Br)c1 ZINC001295634242 1063677499 /nfs/dbraw/zinc/67/74/99/1063677499.db2.gz ZGJRDNHNMUCXJI-KRWDZBQOSA-N 0 0 454.321 2.643 20 0 JFADRN CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001295640552 1063682041 /nfs/dbraw/zinc/68/20/41/1063682041.db2.gz VRRCKFBQQZBSFJ-DLBZAZTESA-N 0 0 468.574 2.673 20 0 JFADRN CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(CC(C)C)CCO1 ZINC001295641448 1063683867 /nfs/dbraw/zinc/68/38/67/1063683867.db2.gz IMJOZDQATFRNNQ-RBUKOAKNSA-N 0 0 481.688 2.625 20 0 JFADRN O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC[C@@H]1COC2(CCCC2)O1 ZINC001295643752 1063686111 /nfs/dbraw/zinc/68/61/11/1063686111.db2.gz KXCICVPDAVXGGS-OAHLLOKOSA-N 0 0 450.479 2.566 20 0 JFADRN CCN(Cc1cnn(C)c1)c1nnc(C(=O)Nc2ccccn2)n1CCOc1cccc(F)c1 ZINC001295645879 1063686583 /nfs/dbraw/zinc/68/65/83/1063686583.db2.gz CLLIPRUMHLBDDK-UHFFFAOYSA-N 0 0 464.505 2.904 20 0 JFADRN CCN(Cc1cnn(C)c1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)c(OC)c1 ZINC001295646018 1063687707 /nfs/dbraw/zinc/68/77/07/1063687707.db2.gz DVSFPXRZJAAFIW-UHFFFAOYSA-N 0 0 476.541 2.751 20 0 JFADRN CCN(Cc1cnn(C)c1)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnn(CC(C)C)c1C ZINC001295647277 1063689947 /nfs/dbraw/zinc/68/99/47/1063689947.db2.gz SVSXTPWWLXXEIL-UHFFFAOYSA-N 0 0 476.589 2.895 20 0 JFADRN CCN(Cc1cnn(C)c1)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)COCCO1 ZINC001295650700 1063692448 /nfs/dbraw/zinc/69/24/48/1063692448.db2.gz QVFMUVCAHNTLPO-FQEVSTJZSA-N 0 0 478.395 2.612 20 0 JFADRN CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(Cl)cc2Cl)n1CCS(=O)(=O)NC ZINC001295652556 1063696518 /nfs/dbraw/zinc/69/65/18/1063696518.db2.gz COTVHESJTLYEMI-UHFFFAOYSA-N 0 0 472.402 2.561 20 0 JFADRN CCN(Cc1cnn(C)c1)c1nnc(-c2ccccc2Cl)n1CCNC(=O)c1ccn[nH]1 ZINC001295653386 1063697498 /nfs/dbraw/zinc/69/74/98/1063697498.db2.gz LXYGTXVDGGUHPQ-UHFFFAOYSA-N 0 0 453.938 2.512 20 0 JFADRN C[C@@H]1COCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001291296598 1063697940 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C[C@H]1OCC[C@@]12CN(c1nnc([C@@H]3CCO[C@H]3C(C)(C)C)n1CCSCCCO)CCO2 ZINC001291325989 1063778421 /nfs/dbraw/zinc/77/84/21/1063778421.db2.gz PGIROCCJVNPMIB-FZONSQQESA-N 0 0 468.664 2.697 20 0 JFADRN C[C@@H]1OCC[C@]1(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001291326129 1063778980 /nfs/dbraw/zinc/77/89/80/1063778980.db2.gz RKKHBMWIZSMESX-APLYEEPTSA-N 0 0 479.622 2.594 20 0 JFADRN C[C@@H]1OCC[C@]1(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCCO1 ZINC001291326132 1063779062 /nfs/dbraw/zinc/77/90/62/1063779062.db2.gz RKKHBMWIZSMESX-UDLDYJPUSA-N 0 0 479.622 2.594 20 0 JFADRN C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)C1 ZINC001291326215 1063779418 /nfs/dbraw/zinc/77/94/18/1063779418.db2.gz SMRXSECOOVFOBP-QQMNAOGKSA-N 0 0 465.595 2.505 20 0 JFADRN C[C@@H]1OCC[C@]12CN(c1nnc(COc3ccccc3F)n1CC[S@@](=O)C(C)(C)C)CCO2 ZINC001291326482 1063779978 /nfs/dbraw/zinc/77/99/78/1063779978.db2.gz WSXMEKDNERPRKF-LVVNCSRHSA-N 0 0 480.606 2.928 20 0 JFADRN Cn1cc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c(-c2ccccc2)n1 ZINC001295771857 1063780076 /nfs/dbraw/zinc/78/00/76/1063780076.db2.gz HUOPOHKMJIDURO-UHFFFAOYSA-N 0 0 456.524 2.556 20 0 JFADRN CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C(C)C)N1CCOCC1 ZINC001295771359 1063780099 /nfs/dbraw/zinc/78/00/99/1063780099.db2.gz DFXAVCMOKBVADL-FGZHOGPDSA-N 0 0 454.619 2.655 20 0 JFADRN CCN(C[C@H]1COc2ccccc2O1)c1nnc([C@@H]2CCOC2)n1CCN(C)CC(F)(F)F ZINC001295772906 1063781582 /nfs/dbraw/zinc/78/15/82/1063781582.db2.gz AWPGZTDTOUBECC-SJORKVTESA-N 0 0 469.508 2.942 20 0 JFADRN C[C@@H]1[C@H](C)SCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCO[C@H]1CCOC1 ZINC001291327681 1063782593 /nfs/dbraw/zinc/78/25/93/1063782593.db2.gz MFJYUTUPFLBNHD-AOIWGVFYSA-N 0 0 480.656 2.874 20 0 JFADRN CCN(C[C@@H]1COc2ccccc2O1)c1nnc(-c2cnn(C)c2)n1CCN(C)CC(F)(F)F ZINC001295773942 1063783018 /nfs/dbraw/zinc/78/30/18/1063783018.db2.gz HCJZSBYEKNHKIB-QGZVFWFLSA-N 0 0 479.507 2.839 20 0 JFADRN 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CARAEUXFVGOAGS-RBUKOAKNSA-N 0 0 491.683 2.736 20 0 JFADRN CCN(CCc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001295787641 1063788841 /nfs/dbraw/zinc/78/88/41/1063788841.db2.gz OGWSWBQKENDMCM-IEBWSBKVSA-N 0 0 467.661 2.932 20 0 JFADRN C[C@H]1SCCN(c2nnc(CCOc3ccccc3)n2CC2(S(C)(=O)=O)CC2)[C@@H]1C ZINC001291333104 1063789088 /nfs/dbraw/zinc/78/90/88/1063789088.db2.gz FYNDRUKDBYBYQQ-IAGOWNOFSA-N 0 0 450.630 2.807 20 0 JFADRN CCN(CCc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1c[nH]nc1C ZINC001295788257 1063789166 /nfs/dbraw/zinc/78/91/66/1063789166.db2.gz QKNPHYTZSFECCO-SFHVURJKSA-N 0 0 462.645 2.975 20 0 JFADRN C[C@H]1SCCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCOCC2(C)C)[C@H]1C ZINC001291333673 1063789316 /nfs/dbraw/zinc/78/93/16/1063789316.db2.gz NSCWQFGUBHKDFN-DLBZAZTESA-N 0 0 478.688 2.711 20 0 JFADRN O=C(CCNS(=O)(=O)c1cccnc1)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC001295790476 1063789731 /nfs/dbraw/zinc/78/97/31/1063789731.db2.gz FBQDCXQURPAORK-HNNXBMFYSA-N 0 0 453.389 2.771 20 0 JFADRN COCC[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)s1)c1ccc(C)o1 ZINC001295792455 1063790164 /nfs/dbraw/zinc/79/01/64/1063790164.db2.gz PWXZIFHUZWYNIX-NSHDSACASA-N 0 0 451.364 2.584 20 0 JFADRN C[C@H]1SCCN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(Cl)cn2)[C@H]1C ZINC001291333964 1063790538 /nfs/dbraw/zinc/79/05/38/1063790538.db2.gz RNTVYIODGLYOAV-LSDHHAIUSA-N 0 0 450.996 2.858 20 0 JFADRN C[C@@H]1SCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCN(CC(F)(F)F)C2)[C@H]1C ZINC001291334314 1063791012 /nfs/dbraw/zinc/79/10/12/1063791012.db2.gz WWFUNFQQBHEJEL-JYJNAYRXSA-N 0 0 460.570 2.615 20 0 JFADRN CCN(CCC1CC1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001295795481 1063791387 /nfs/dbraw/zinc/79/13/87/1063791387.db2.gz WHWWEORCAFKPAJ-INIZCTEOSA-N 0 0 453.012 2.901 20 0 JFADRN O=C(COc1ccccc1C(=O)N[C@@H](CO)[C@H]1CCOC1)Nc1cccc(C(F)(F)F)c1 ZINC001295796173 1063791851 /nfs/dbraw/zinc/79/18/51/1063791851.db2.gz ADFYAUKXBPRAOQ-KSSFIOAISA-N 0 0 452.429 2.850 20 0 JFADRN CCN(CCC1CC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C ZINC001295796428 1063791947 /nfs/dbraw/zinc/79/19/47/1063791947.db2.gz BEDKKOUXPZRICC-NRFANRHFSA-N 0 0 461.632 2.789 20 0 JFADRN C[C@@H]1SCCN(c2nnc(Cn3ccc4ccccc43)n2CCCNS(C)(=O)=O)[C@H]1C ZINC001291334451 1063792020 /nfs/dbraw/zinc/79/20/20/1063792020.db2.gz YXZRYJYZGOIVHV-IRXDYDNUSA-N 0 0 462.645 2.551 20 0 JFADRN C[C@@H]1SCCN(c2nnc(CNC(=O)c3cccs3)n2CCSCCCO)[C@H]1C ZINC001291334366 1063792031 /nfs/dbraw/zinc/79/20/31/1063792031.db2.gz XLOLRECNWPZOJF-GJZGRUSLSA-N 0 0 455.675 2.715 20 0 JFADRN CCN(CCC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001295796920 1063792341 /nfs/dbraw/zinc/79/23/41/1063792341.db2.gz CXDZRKXCDQQNMO-XMSQKQJNSA-N 0 0 450.605 2.924 20 0 JFADRN CCN(CCC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC ZINC001295797770 1063792380 /nfs/dbraw/zinc/79/23/80/1063792380.db2.gz IIKCRCABFRCJBG-SFHVURJKSA-N 0 0 474.610 2.873 20 0 JFADRN CCC(=O)N[C@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2cccnc2)C1 ZINC001291334647 1063792499 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CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@H]1CCCCS1(=O)=O ZINC001292082559 1064764889 /nfs/dbraw/zinc/76/48/89/1064764889.db2.gz DBERVNNPDMMSAW-GOEBONIOSA-N 0 0 461.579 2.645 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C)CC2)n1Cc1cccc(OCC(N)=O)c1 ZINC001292083213 1064765357 /nfs/dbraw/zinc/76/53/57/1064765357.db2.gz CWQKKYWZEDQMJG-KRWDZBQOSA-N 0 0 456.591 2.735 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001292083922 1064766153 /nfs/dbraw/zinc/76/61/53/1064766153.db2.gz GKDGVQDAPLEWKR-GOSISDBHSA-N 0 0 470.618 2.948 20 0 JFADRN CN(C)C(=O)CCCNC(=O)c1occc1CS(=O)(=O)c1ccc(Br)cc1 ZINC001292083582 1064766204 /nfs/dbraw/zinc/76/62/04/1064766204.db2.gz NAUFZKFPOBRLSX-UHFFFAOYSA-N 0 0 457.346 2.614 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001292083923 1064766216 /nfs/dbraw/zinc/76/62/16/1064766216.db2.gz GKDGVQDAPLEWKR-SFHVURJKSA-N 0 0 470.618 2.948 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1C[C@@]1(C)CCCO1 ZINC001292084893 1064767022 /nfs/dbraw/zinc/76/70/22/1064767022.db2.gz JRFWYZZOMVQHNW-MHECFPHRSA-N 0 0 460.623 2.508 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC)C2)n1C[C@H](c1ccco1)N1CCCCC1 ZINC001292084975 1064767381 /nfs/dbraw/zinc/76/73/81/1064767381.db2.gz LHKBZJXQJDKCAB-PZJWPPBQSA-N 0 0 499.660 2.979 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC=C(C)C2)n1CCOc1ccc(S(C)(=O)=O)cc1 ZINC001292085525 1064767992 /nfs/dbraw/zinc/76/79/92/1064767992.db2.gz MVDMDBMSIBXCLW-UHFFFAOYSA-N 0 0 475.615 2.835 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1C[C@H]1CCO[C@H](C)C1 ZINC001292085462 1064768037 /nfs/dbraw/zinc/76/80/37/1064768037.db2.gz LSDGXLGYKZVFCC-SQNIBIBYSA-N 0 0 460.623 2.507 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001292085814 1064768350 /nfs/dbraw/zinc/76/83/50/1064768350.db2.gz OJVHKYPEVPVPBD-OAHLLOKOSA-N 0 0 466.508 2.965 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1Cc1ccc(C)cc1OC ZINC001292086814 1064770195 /nfs/dbraw/zinc/77/01/95/1064770195.db2.gz WUBPOMNNYQBGQE-GOSISDBHSA-N 0 0 457.575 2.951 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3cncn3)C2)n1Cc1cc(F)ccc1OC ZINC001292087796 1064771306 /nfs/dbraw/zinc/77/13/06/1064771306.db2.gz BSCFQFBWEPRZNX-IBGZPJMESA-N 0 0 470.553 2.826 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CCc1ccccc1OC ZINC001292088521 1064772404 /nfs/dbraw/zinc/77/24/04/1064772404.db2.gz FPJFLELQWFBSFB-HXUWFJFHSA-N 0 0 456.591 2.553 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](NC(C)=O)C2)n1Cc1cc(COC(C)(C)C)on1 ZINC001292089150 1064773198 /nfs/dbraw/zinc/77/31/98/1064773198.db2.gz ISGSAYWIGCBLSB-SFHVURJKSA-N 0 0 489.621 2.653 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1C[C@H](C)c1c(C)noc1C ZINC001292090093 1064774782 /nfs/dbraw/zinc/77/47/82/1064774782.db2.gz OEMKBLYSCAMEDD-IFXJQAMLSA-N 0 0 459.595 2.710 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCn1ccnc1C ZINC001292090059 1064774853 /nfs/dbraw/zinc/77/48/53/1064774853.db2.gz NODNZIRHKBSESN-LJQANCHMSA-N 0 0 472.638 2.533 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CC[C@@H]1CCOC1 ZINC001292090527 1064775894 /nfs/dbraw/zinc/77/58/94/1064775894.db2.gz PWAKPCFPVNHTEL-MJGOQNOKSA-N 0 0 462.639 2.754 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CC[C@H]1CCOC1 ZINC001292090525 1064775981 /nfs/dbraw/zinc/77/59/81/1064775981.db2.gz PWAKPCFPVNHTEL-HKUYNNGSSA-N 0 0 462.639 2.754 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1C[C@@]1(C)COCCO1 ZINC001292090727 1064776422 /nfs/dbraw/zinc/77/64/22/1064776422.db2.gz BBHFWCIVZZWKEX-KOSHJBKYSA-N 0 0 490.580 2.584 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@H]1OCCC1(C)C ZINC001292090537 1064776444 /nfs/dbraw/zinc/77/64/44/1064776444.db2.gz PYHWSADCGQCQJL-RBUKOAKNSA-N 0 0 462.639 2.753 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001292090732 1064776837 /nfs/dbraw/zinc/77/68/37/1064776837.db2.gz BFCWDOGERCVADR-ROUUACIJSA-N 0 0 462.639 2.895 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3cc(C)cn3)C2)n1CC1CCN(C(C)=O)CC1 ZINC001292090917 1064777215 /nfs/dbraw/zinc/77/72/15/1064777215.db2.gz RRHQPJDVVRDKJO-JOCHJYFZSA-N 0 0 484.649 2.801 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1CCn1cc(C)cn1 ZINC001292091201 1064777947 /nfs/dbraw/zinc/77/79/47/1064777947.db2.gz GSEXKQIMJFUXNZ-IBGZPJMESA-N 0 0 484.580 2.984 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCOc1ccc(F)c(F)c1 ZINC001292091866 1064778996 /nfs/dbraw/zinc/77/89/96/1064778996.db2.gz LENDJUIXLMCTMN-KRWDZBQOSA-N 0 0 499.584 2.567 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3cncn3)C2)n1CCc1csc(C)n1 ZINC001292092632 1064780526 /nfs/dbraw/zinc/78/05/26/1064780526.db2.gz YPEAEJSPDMGFOK-GOSISDBHSA-N 0 0 457.608 2.637 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCCc1nc(C)no1 ZINC001292092565 1064780578 /nfs/dbraw/zinc/78/05/78/1064780578.db2.gz YFTXCZJOUWQOSG-GOSISDBHSA-N 0 0 488.637 2.652 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001292093038 1064781268 /nfs/dbraw/zinc/78/12/68/1064781268.db2.gz DBHKGGMFEJVLEL-BVZFJXPGSA-N 0 0 488.608 2.596 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Oc3ccccc3)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001292093143 1064781692 /nfs/dbraw/zinc/78/16/92/1064781692.db2.gz UYDOMOGRUYDSMS-NQIIRXRSSA-N 0 0 489.642 2.679 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[C@H]3CCOC3)C2)n1Cc1ccc(C)n(C)c1=O ZINC001292093530 1064782451 /nfs/dbraw/zinc/78/24/51/1064782451.db2.gz DYSHOCIVKIYUAN-VQTJNVASSA-N 0 0 484.645 2.895 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@@H]1CCOC[C@@H]1C ZINC001292093577 1064782504 /nfs/dbraw/zinc/78/25/04/1064782504.db2.gz FUPORUPCTCDJRN-ZCNNSNEGSA-N 0 0 476.666 2.858 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[C@H]3CCOC3)C2)n1CC1(C(N)=O)CCCC1 ZINC001292094184 1064783276 /nfs/dbraw/zinc/78/32/76/1064783276.db2.gz IHFHIBGGTIRLFG-RBUKOAKNSA-N 0 0 474.650 2.885 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1C[C@](C)(O)CC ZINC001292094190 1064783621 /nfs/dbraw/zinc/78/36/21/1064783621.db2.gz IHVVYVVQYJAQSB-BXKMTCNYSA-N 0 0 464.655 2.736 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1C[C@](C)(O)CC ZINC001292094191 1064783757 /nfs/dbraw/zinc/78/37/57/1064783757.db2.gz IHVVYVVQYJAQSB-MZNJEOGPSA-N 0 0 464.655 2.736 20 0 JFADRN O=C(NCCc1ccccc1)c1ccc(NC(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)cc1 ZINC001292094797 1064785568 /nfs/dbraw/zinc/78/55/68/1064785568.db2.gz SNNAUQMZFCXUFF-QZTJIDSGSA-N 0 0 454.470 2.821 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccc(C)cc2)n1CCCn1cnnn1 ZINC001292098565 1064789540 /nfs/dbraw/zinc/78/95/40/1064789540.db2.gz ZYJYEFFAXQQCPZ-FQEVSTJZSA-N 0 0 451.579 2.923 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1CC1([S@@](C)=O)CCC1 ZINC001292103051 1064794012 /nfs/dbraw/zinc/79/40/12/1064794012.db2.gz XAESQZQTSZSXQU-YFWNDERMSA-N 0 0 451.637 2.646 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2CSC)n1C[C@H]1CCCN1c1cnn(C)c1 ZINC001292103074 1064794026 /nfs/dbraw/zinc/79/40/26/1064794026.db2.gz XIXCYIPTALBYRL-MOPGFXCFSA-N 0 0 474.679 2.931 20 0 JFADRN CN1C[C@H](C(=O)N(CC(N)=O)Cc2ccc(OCc3ccccc3)cc2)c2ccccc2C1=O ZINC001292104291 1064796544 /nfs/dbraw/zinc/79/65/44/1064796544.db2.gz NDMWNGSNJBHNSU-DEOSSOPVSA-N 0 0 457.530 2.949 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCN(CC)C(=O)C2)n1CCc1ccc(-n2cccn2)cc1 ZINC001292104437 1064797043 /nfs/dbraw/zinc/79/70/43/1064797043.db2.gz FVARBJIBTMKXQN-UHFFFAOYSA-N 0 0 492.628 2.684 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@H]1CCC[C@@H](O)C1 ZINC001292104779 1064797380 /nfs/dbraw/zinc/79/73/80/1064797380.db2.gz HMKBBRVJFCYOOI-FUHWJXTLSA-N 0 0 474.572 2.822 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001292104778 1064797444 /nfs/dbraw/zinc/79/74/44/1064797444.db2.gz HMKBBRVJFCYOOI-AEFFLSMTSA-N 0 0 474.572 2.822 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCN(C(=O)C3CC3)CC2)n1C[C@H]1CCCCS1 ZINC001292105212 1064798271 /nfs/dbraw/zinc/79/82/71/1064798271.db2.gz KXQLCCAFYUXBIR-LJQANCHMSA-N 0 0 462.664 2.931 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001292105467 1064798549 /nfs/dbraw/zinc/79/85/49/1064798549.db2.gz LFLSJGBHSXPLAG-BHDDXSALSA-N 0 0 471.602 2.704 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CCCC1CCCC1 ZINC001292105514 1064798975 /nfs/dbraw/zinc/79/89/75/1064798975.db2.gz MTYDUMWFFJPDGF-UHFFFAOYSA-N 0 0 468.668 2.639 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCN(C(=O)c3ccccc3F)CC2)n1C[C@H](F)COC ZINC001292105940 1064801092 /nfs/dbraw/zinc/80/10/92/1064801092.db2.gz RYBXCPNBWRBEKU-KRWDZBQOSA-N 0 0 492.571 2.673 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1Cc1ccc(NC(C)=O)cc1 ZINC001292106193 1064802441 /nfs/dbraw/zinc/80/24/41/1064802441.db2.gz URKWGDWSVHABFN-UHFFFAOYSA-N 0 0 497.644 2.898 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCN(C(=O)C3CC3)CC2)n1Cc1ccc(NC(C)=O)cc1 ZINC001292106161 1064802457 /nfs/dbraw/zinc/80/24/57/1064802457.db2.gz SZAOLYZTEGEDFA-UHFFFAOYSA-N 0 0 495.628 2.652 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@H]1CCc2ccccc21 ZINC001292106449 1064803602 /nfs/dbraw/zinc/80/36/02/1064803602.db2.gz WZIHZLDDRHTGBN-FQEVSTJZSA-N 0 0 452.603 2.985 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1Cc1ccc(OC)c(Cl)c1 ZINC001292108751 1064806285 /nfs/dbraw/zinc/80/62/85/1064806285.db2.gz DCNSHSHCHLGIEB-HNNXBMFYSA-N 0 0 462.982 2.609 20 0 JFADRN COc1ccc(CN2CC[C@H]2C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1 ZINC001292109112 1064806914 /nfs/dbraw/zinc/80/69/14/1064806914.db2.gz KDEHROPFFPCMOM-QFIPXVFZSA-N 0 0 457.596 2.761 20 0 JFADRN COc1c(N)c(C(=O)NCCN2C(=O)c3ccccc3C2=O)cc(Cl)c1Br ZINC001292108933 1064807035 /nfs/dbraw/zinc/80/70/35/1064807035.db2.gz STXDCDJRZSFHHW-UHFFFAOYSA-N 0 0 452.692 2.719 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1C[C@@H]1CCCn2ccnc21 ZINC001292109838 1064808939 /nfs/dbraw/zinc/80/89/39/1064808939.db2.gz BXJTVOJNSAWBHC-IBGZPJMESA-N 0 0 499.664 2.554 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@@H]1Cc2ccccc2O1 ZINC001292110209 1064811506 /nfs/dbraw/zinc/81/15/06/1064811506.db2.gz PHKPSYKNHNVRGJ-FQEVSTJZSA-N 0 0 482.629 2.895 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1C[C@H]1C[C@H]1C ZINC001292110251 1064812127 /nfs/dbraw/zinc/81/21/27/1064812127.db2.gz HBWRYHIPSNQMMB-SJLPKXTDSA-N 0 0 456.566 2.954 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1CCc1c(C)noc1C ZINC001292110458 1064812942 /nfs/dbraw/zinc/81/29/42/1064812942.db2.gz IRKKGUHSKYKEBC-UHFFFAOYSA-N 0 0 488.637 2.628 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1C[C@H]1OCC[C@H]1C ZINC001292110536 1064814376 /nfs/dbraw/zinc/81/43/76/1064814376.db2.gz KGBOTVVDTSNAQI-WIYYLYMNSA-N 0 0 468.602 2.584 20 0 JFADRN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1Cc1ccc(Cl)nc1 ZINC001292110572 1064815568 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CCCCCCNC(=O)[C@H]1CCCN(C(=O)CS(=O)(=O)c2ccc(C(C)=O)c(F)c2)C1 ZINC001292359471 1065102724 /nfs/dbraw/zinc/10/27/24/1065102724.db2.gz MRCTZJYMVBJWQE-KRWDZBQOSA-N 0 0 454.564 2.737 20 0 JFADRN COc1ccc(C[C@@](C)(NC(C)=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)cc1OC ZINC001292360397 1065103195 /nfs/dbraw/zinc/10/31/95/1065103195.db2.gz YGEDVOUMZZDADQ-XMMPIXPASA-N 0 0 459.518 2.756 20 0 JFADRN CC[C@@]1(C)CN(c2nnc([C@@H]3CCOC3)n2CCCn2cc(Br)cn2)CCO1 ZINC001292363315 1065103965 /nfs/dbraw/zinc/10/39/65/1065103965.db2.gz FJOCHSUKCUXGQZ-BEFAXECRSA-N 0 0 453.385 2.837 20 0 JFADRN CC[C@]1(C)CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](OC)c2ccc(F)cc2)CCO1 ZINC001292363149 1065104011 /nfs/dbraw/zinc/10/40/11/1065104011.db2.gz CLYZYLLNVNFEGR-LQBOVUBWSA-N 0 0 466.579 2.712 20 0 JFADRN CC[C@@]1(C)CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(I)cc2)CCO1 ZINC001292364086 1065104538 /nfs/dbraw/zinc/10/45/38/1065104538.db2.gz MZOBQXXECDYIJA-UZLBHIALSA-N 0 0 495.365 2.887 20 0 JFADRN CC[C@@]1(C)CN(c2nnc(Cc3ccncc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CCO1 ZINC001292363964 1065104568 /nfs/dbraw/zinc/10/45/68/1065104568.db2.gz FXLAMZQUCVLFCY-UGKGYDQZSA-N 0 0 482.551 2.922 20 0 JFADRN CC[C@]1(C)CN(c2nnc([C@@H]3CCCOC3)n2CCCNC(=O)c2cccc(O)c2)CCO1 ZINC001292364097 1065105215 /nfs/dbraw/zinc/10/52/15/1065105215.db2.gz NBEICGODMDMWOB-NTKDMRAZSA-N 0 0 457.575 2.703 20 0 JFADRN CC[C@]1(C)CN(c2nnc([C@H]3CCC(=O)N3)n2CCCCn2cc(Br)cn2)CCO1 ZINC001292366148 1065107741 /nfs/dbraw/zinc/10/77/41/1065107741.db2.gz WTMHULNVALEJDA-OXQOHEQNSA-N 0 0 480.411 2.674 20 0 JFADRN CC[C@]1(C)CN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC001292368758 1065110897 /nfs/dbraw/zinc/11/08/97/1065110897.db2.gz LWUWFFBDZKXWSP-AUSIDOKSSA-N 0 0 462.616 2.996 20 0 JFADRN CC[C@@]1(C)CN(c2nnc(Cn3nc(C)cc3C)n2CCCNC(=O)c2cccc(O)c2)CCO1 ZINC001292371446 1065114511 /nfs/dbraw/zinc/11/45/11/1065114511.db2.gz YESCYJPLFFTZSF-VWLOTQADSA-N 0 0 481.601 2.671 20 0 JFADRN CC(C)(C)OC(=O)NCc1ccc(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)o1 ZINC001292372681 1065116430 /nfs/dbraw/zinc/11/64/30/1065116430.db2.gz FXTNZKILSNWRBR-UHFFFAOYSA-N 0 0 456.543 2.773 20 0 JFADRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC001292373393 1065117108 /nfs/dbraw/zinc/11/71/08/1065117108.db2.gz UEJHVGROZNVRPP-MXVIHJGJSA-N 0 0 458.603 2.925 20 0 JFADRN CCC1(CC)CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(C)CN(C)C2=O)C1 ZINC001292377257 1065119498 /nfs/dbraw/zinc/11/94/98/1065119498.db2.gz KVGKTJIZTAKZQG-HSZRJFAPSA-N 0 0 488.658 2.690 20 0 JFADRN CC[C@@]1(C)CN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)N2CCOCC2)CCO1 ZINC001292378605 1065122074 /nfs/dbraw/zinc/12/20/74/1065122074.db2.gz GIMWURLYVUPBGY-DVECYGJZSA-N 0 0 459.591 2.592 20 0 JFADRN CC[C@]1(C)CN(c2nnc(COc3ccccc3F)n2CCS(=O)(=O)CC2CC2)CCO1 ZINC001292379242 1065123258 /nfs/dbraw/zinc/12/32/58/1065123258.db2.gz JGWNSCVHJLLILP-JOCHJYFZSA-N 0 0 466.579 2.826 20 0 JFADRN CCC1(CC)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(F)ccc2OC)C1 ZINC001292385552 1065128195 /nfs/dbraw/zinc/12/81/95/1065128195.db2.gz PWIJIWYRXQRYOH-FQEVSTJZSA-N 0 0 495.621 2.824 20 0 JFADRN CCC1(CC)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2nccs2)C1 ZINC001292385694 1065128669 /nfs/dbraw/zinc/12/86/69/1065128669.db2.gz UFDLSOURJCIAAJ-IAGOWNOFSA-N 0 0 482.676 2.888 20 0 JFADRN CCC1(CC)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cc2)C1 ZINC001292385726 1065128681 /nfs/dbraw/zinc/12/86/81/1065128681.db2.gz USXLQEVJDXTLSS-IBGZPJMESA-N 0 0 465.595 2.815 20 0 JFADRN CCC1(CC)CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)N(C)C)C1 ZINC001292385922 1065129219 /nfs/dbraw/zinc/12/92/19/1065129219.db2.gz XDFOMAJGQWOIJJ-LJQANCHMSA-N 0 0 463.604 2.699 20 0 JFADRN CCOc1ccc(C(=O)N2CCC(NC(=O)CCNC(=O)c3ccc(C)cc3O)CC2)cc1 ZINC001292388846 1065129819 /nfs/dbraw/zinc/12/98/19/1065129819.db2.gz AEYALQOZFHIADN-UHFFFAOYSA-N 0 0 453.539 2.640 20 0 JFADRN CCC1(CC)CCN(c2nnc(CNC(=O)c3cccs3)n2CCCS(C)(=O)=O)C1 ZINC001292389378 1065129854 /nfs/dbraw/zinc/12/98/54/1065129854.db2.gz BTMBWWDQOHWDKT-UHFFFAOYSA-N 0 0 453.634 2.721 20 0 JFADRN CCN1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)cc2)CC1 ZINC001292391444 1065130441 /nfs/dbraw/zinc/13/04/41/1065130441.db2.gz LXDYNICDDQULJL-HXUWFJFHSA-N 0 0 455.603 2.767 20 0 JFADRN CCC1(CC)CN(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)Cc2ccon2)CCS1 ZINC001292393225 1065131661 /nfs/dbraw/zinc/13/16/61/1065131661.db2.gz CBJKUWVRHNNFHO-UHFFFAOYSA-N 0 0 470.665 2.795 20 0 JFADRN CCC1(CC)CN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)N2CCOCC2)CCS1 ZINC001292394049 1065133385 /nfs/dbraw/zinc/13/33/85/1065133385.db2.gz OJRTYDSFCCTMCF-UHFFFAOYSA-N 0 0 489.642 2.933 20 0 JFADRN CCC1(CC)CN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCS(=O)(=O)C2)CCS1 ZINC001292394799 1065134660 /nfs/dbraw/zinc/13/46/60/1065134660.db2.gz WNERYNXGHNLYGW-QZTJIDSGSA-N 0 0 474.693 2.939 20 0 JFADRN O=C(CNC(=O)c1cnnn1-c1cccc(Cl)c1Cl)N1CCN(c2ccccc2)CC1 ZINC001292398905 1065137112 /nfs/dbraw/zinc/13/71/12/1065137112.db2.gz KTWJWCCDQXHJMU-UHFFFAOYSA-N 0 0 459.337 2.653 20 0 JFADRN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NCc3ccn(-c4ccccc4)n3)nn2)C1 ZINC001292404524 1065139724 /nfs/dbraw/zinc/13/97/24/1065139724.db2.gz CEDRGAXRBWWZSL-IBGZPJMESA-N 0 0 451.531 2.966 20 0 JFADRN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NCc3ccn(-c4ccccc4)n3)nn2)C1 ZINC001292404526 1065139741 /nfs/dbraw/zinc/13/97/41/1065139741.db2.gz CEDRGAXRBWWZSL-LJQANCHMSA-N 0 0 451.531 2.966 20 0 JFADRN Cc1nc(-c2ccc(CNC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)[C@@H](C)O)cc2)cs1 ZINC001292405557 1065140381 /nfs/dbraw/zinc/14/03/81/1065140381.db2.gz AKQGTAZCPJWSMD-QVKFZJNVSA-N 0 0 459.593 2.771 20 0 JFADRN CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001292407750 1065141438 /nfs/dbraw/zinc/14/14/38/1065141438.db2.gz ITCHMSMDJMFNDK-UHFFFAOYSA-N 0 0 481.645 2.984 20 0 JFADRN CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC001292407165 1065141502 /nfs/dbraw/zinc/14/15/02/1065141502.db2.gz BDTGJEFCNUEVGQ-SFTDATJTSA-N 0 0 487.693 2.814 20 0 JFADRN CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CCOCC1 ZINC001292408875 1065143064 /nfs/dbraw/zinc/14/30/64/1065143064.db2.gz WVTYYXVTRSUZSQ-QGZVFWFLSA-N 0 0 464.611 2.727 20 0 JFADRN CCC1(Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CCOCC1 ZINC001292410965 1065143742 /nfs/dbraw/zinc/14/37/42/1065143742.db2.gz IXAKEJZBSPXZDS-LJQANCHMSA-N 0 0 480.654 2.839 20 0 JFADRN NS(=O)(=O)c1ccc(NCC(=O)NC2(c3ccc(Br)cc3)CCC2)c(F)c1 ZINC001292410573 1065143782 /nfs/dbraw/zinc/14/37/82/1065143782.db2.gz MMTNUHXDAQMAMY-UHFFFAOYSA-N 0 0 456.337 2.843 20 0 JFADRN CCC1(Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C(=O)c3ccccn3)CC2)CCOCC1 ZINC001292411659 1065144866 /nfs/dbraw/zinc/14/48/66/1065144866.db2.gz VFCMWMYGUOZQPC-HXUWFJFHSA-N 0 0 486.617 2.566 20 0 JFADRN CCC1(Cn2c(-c3sc(N4CCOCC4)nc3C)nnc2N(C)[C@H](C)CS(=O)(=O)CC)CC1 ZINC001292411367 1065144885 /nfs/dbraw/zinc/14/48/85/1065144885.db2.gz NPFBTPWKPCDFMD-MRXNPFEDSA-N 0 0 496.703 2.996 20 0 JFADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CC(=O)N(C)[C@H](C)C2)CCOCC1 ZINC001292411531 1065144939 /nfs/dbraw/zinc/14/49/39/1065144939.db2.gz PZMQZUWLUZEIEJ-OAHLLOKOSA-N 0 0 479.423 2.920 20 0 JFADRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CC(=O)N(C)[C@@H](C)C2)CCOCC1 ZINC001292411530 1065144979 /nfs/dbraw/zinc/14/49/79/1065144979.db2.gz PZMQZUWLUZEIEJ-HNNXBMFYSA-N 0 0 479.423 2.920 20 0 JFADRN CCC1(Cn2c([C@H](C)OCCOC)nnc2N2CCN(C(=O)c3ccccn3)CC2)CCOCC1 ZINC001292411658 1065145005 /nfs/dbraw/zinc/14/50/05/1065145005.db2.gz VFCMWMYGUOZQPC-FQEVSTJZSA-N 0 0 486.617 2.566 20 0 JFADRN CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)CC1 ZINC001292411776 1065145653 /nfs/dbraw/zinc/14/56/53/1065145653.db2.gz DTVPIRIHKMJCMH-OPAMFIHVSA-N 0 0 482.050 2.916 20 0 JFADRN CCC1(Cn2c(C)nnc2N2C[C@@H]3[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]3C2)CCCC1 ZINC001292411845 1065146169 /nfs/dbraw/zinc/14/61/69/1065146169.db2.gz YAGQPVNWOVTMDE-SQNIBIBYSA-N 0 0 467.636 2.683 20 0 JFADRN CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc3c(c2)OCCO3)CCOCC1 ZINC001292411912 1065146209 /nfs/dbraw/zinc/14/62/09/1065146209.db2.gz FPDWUAWIGATTHW-QGZVFWFLSA-N 0 0 493.630 2.503 20 0 JFADRN CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CCOCC1 ZINC001292412646 1065146685 /nfs/dbraw/zinc/14/66/85/1065146685.db2.gz KYOLXECIINJIFA-XHSDSOJGSA-N 0 0 463.595 2.823 20 0 JFADRN CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ncccc3F)CC2)CCCC1 ZINC001292413935 1065147840 /nfs/dbraw/zinc/14/78/40/1065147840.db2.gz OUTOMKGGTZIAJV-QGZVFWFLSA-N 0 0 479.626 2.719 20 0 JFADRN CCC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@@H](COC)C2)CCC1 ZINC001292417598 1065150829 /nfs/dbraw/zinc/15/08/29/1065150829.db2.gz CFRKCYMACSHWET-LJQANCHMSA-N 0 0 477.631 2.627 20 0 JFADRN CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC001292426620 1065154894 /nfs/dbraw/zinc/15/48/94/1065154894.db2.gz CYPZDPXVXRMERW-GIVPXCGWSA-N 0 0 452.555 2.733 20 0 JFADRN CCC1(Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)C[C@@H](C)C(=O)NC)CCC1 ZINC001292430465 1065156131 /nfs/dbraw/zinc/15/61/31/1065156131.db2.gz STEMGEHRUIJDFN-MRXNPFEDSA-N 0 0 461.636 2.637 20 0 JFADRN CCC1(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(S(=O)(=O)CCOC(C)C)CC2)CC1 ZINC001292432325 1065157875 /nfs/dbraw/zinc/15/78/75/1065157875.db2.gz QLOVXOHFAYYIBL-IBGZPJMESA-N 0 0 469.652 2.587 20 0 JFADRN CCC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CCOCC1 ZINC001292432184 1065157888 /nfs/dbraw/zinc/15/78/88/1065157888.db2.gz NLKCXPXEWKGWBV-ROUUACIJSA-N 0 0 476.622 2.787 20 0 JFADRN CCC1(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CCOCC1 ZINC001292434593 1065160392 /nfs/dbraw/zinc/16/03/92/1065160392.db2.gz MYBJOIOHTWMUAD-DLBZAZTESA-N 0 0 473.540 2.884 20 0 JFADRN CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cccc(F)c2)CCC1 ZINC001292436119 1065164603 /nfs/dbraw/zinc/16/46/03/1065164603.db2.gz NQVDRVPQIZAOHO-LJQANCHMSA-N 0 0 465.595 2.967 20 0 JFADRN CCC1(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CCCC1 ZINC001292437014 1065165801 /nfs/dbraw/zinc/16/58/01/1065165801.db2.gz YCKGUVDBFWCQDQ-MOPGFXCFSA-N 0 0 453.653 2.908 20 0 JFADRN CCC1(Cn2c([C@@H]3COc4ccccc4O3)nnc2N(C)CCS(=O)(=O)CC)CCOCC1 ZINC001292437224 1065166275 /nfs/dbraw/zinc/16/62/75/1065166275.db2.gz ZJVCCJUQPGXGMN-FQEVSTJZSA-N 0 0 478.615 2.868 20 0 JFADRN CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(OCCC(C)C)CC2)CC1 ZINC001292437222 1065166282 /nfs/dbraw/zinc/16/62/82/1065166282.db2.gz ZISAEQFNVQSTMV-FQEVSTJZSA-N 0 0 483.679 2.833 20 0 JFADRN CCC1(Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC(=O)N2CCOCC2)CCOCC1 ZINC001292438415 1065166793 /nfs/dbraw/zinc/16/67/93/1065166793.db2.gz JNMZRGJCVFSYMH-UHFFFAOYSA-N 0 0 477.556 2.649 20 0 JFADRN CCC1(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)CCOCC1 ZINC001292444357 1065168990 /nfs/dbraw/zinc/16/89/90/1065168990.db2.gz ZSPXKVHTYKHBNA-HXUWFJFHSA-N 0 0 488.677 2.986 20 0 JFADRN CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cccc(NC(=O)c2cc(F)ccc2O)c1 ZINC001292446427 1065169977 /nfs/dbraw/zinc/16/99/77/1065169977.db2.gz BGJJAJCPNPXASI-UHFFFAOYSA-N 0 0 453.492 2.587 20 0 JFADRN CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@@H](C)N2CSCCSC2)c(=O)[nH]c1=O ZINC001292446424 1065169994 /nfs/dbraw/zinc/16/99/94/1065169994.db2.gz BDUOBRZSLADGGU-OAHLLOKOSA-N 0 0 457.666 2.796 20 0 JFADRN CC(=O)CC1(C(=O)Nc2cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c2)CCC1 ZINC001292446498 1065170039 /nfs/dbraw/zinc/17/00/39/1065170039.db2.gz FLBRETJCZLVJAJ-UHFFFAOYSA-N 0 0 453.561 2.578 20 0 JFADRN CCC1(Cn2c(COc3cccc(C)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CCOCC1 ZINC001292448276 1065171078 /nfs/dbraw/zinc/17/10/78/1065171078.db2.gz YBYCSHNXUZNIGY-FQEVSTJZSA-N 0 0 491.658 2.842 20 0 JFADRN CCC1(Cn2c(COc3ccccc3OC)nnc2N2CCC[C@H](C(N)=O)C2)CCOCC1 ZINC001292448526 1065171747 /nfs/dbraw/zinc/17/17/47/1065171747.db2.gz HGBXXOWGHHBVDY-SFHVURJKSA-N 0 0 457.575 2.774 20 0 JFADRN CCC1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(S(C)(=O)=O)CC2)CCCC1 ZINC001292450476 1065173237 /nfs/dbraw/zinc/17/32/37/1065173237.db2.gz FBSLVCCVVONMHR-HKUYNNGSSA-N 0 0 454.637 2.986 20 0 JFADRN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)[C@@H](C)O)cc1 ZINC001292456216 1065177272 /nfs/dbraw/zinc/17/72/72/1065177272.db2.gz LRVRBLSIRZUQSR-UZUQRXQVSA-N 0 0 455.580 2.910 20 0 JFADRN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)[C@H](C)O)cc1 ZINC001292456213 1065177279 /nfs/dbraw/zinc/17/72/79/1065177279.db2.gz LRVRBLSIRZUQSR-GAJHUEQPSA-N 0 0 455.580 2.910 20 0 JFADRN CCc1ccc(-c2nnc(N(C)C[C@H](C)C(=O)NC)n2CC2(C(=O)N(C)C)CCCC2)cc1 ZINC001292459039 1065184204 /nfs/dbraw/zinc/18/42/04/1065184204.db2.gz VJSRJLLNHAJPDQ-SFHVURJKSA-N 0 0 454.619 2.974 20 0 JFADRN CCc1ccc(-c2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CCN2CCOCC2(C)C)cc1 ZINC001292459810 1065186645 /nfs/dbraw/zinc/18/66/45/1065186645.db2.gz FCWNFENOBCYUDR-OALUTQOASA-N 0 0 477.675 2.876 20 0 JFADRN CCc1ccc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2Cc2nnc(C(C)(C)C)s2)cc1 ZINC001292459875 1065186649 /nfs/dbraw/zinc/18/66/49/1065186649.db2.gz ZLNBQYWVDKHOQE-UHFFFAOYSA-N 0 0 483.642 3.000 20 0 JFADRN CCc1ccc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2Cc2ccc(C)n(C)c2=O)cc1 ZINC001292460198 1065187192 /nfs/dbraw/zinc/18/71/92/1065187192.db2.gz HSKLNEGMSIKTKT-QZTJIDSGSA-N 0 0 471.627 2.821 20 0 JFADRN CCc1ccc(-c2nnc(N(C)[C@@H]3CCCN(c4cccnn4)C3)n2CC(=O)N(C)CC)cc1 ZINC001292460915 1065189775 /nfs/dbraw/zinc/18/97/75/1065189775.db2.gz KGFMQRRNAMYDAR-OAQYLSRUSA-N 0 0 462.602 2.881 20 0 JFADRN CCc1nc(CCn2c(-c3ccc(CC)cc3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)no1 ZINC001292461453 1065190273 /nfs/dbraw/zinc/19/02/73/1065190273.db2.gz RAXZCVCHHHMSQX-JKSUJKDBSA-N 0 0 460.604 2.953 20 0 JFADRN CCc1ccc(-c2nnc(N(C)C3CCC4(CC3)OCCO4)n2CCNS(=O)(=O)CC)cc1 ZINC001292462384 1065191596 /nfs/dbraw/zinc/19/15/96/1065191596.db2.gz XACFGFMZXBPVMQ-UHFFFAOYSA-N 0 0 477.631 2.569 20 0 JFADRN CCc1ccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](CC)C2)N(C)C)cc1 ZINC001292462408 1065192261 /nfs/dbraw/zinc/19/22/61/1065192261.db2.gz SERFLUHSRZXTNX-VSKRKVRLSA-N 0 0 475.659 2.661 20 0 JFADRN CCc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC001292468291 1065194546 /nfs/dbraw/zinc/19/45/46/1065194546.db2.gz NNZWGKIOYNXEGK-XMMPIXPASA-N 0 0 484.626 2.607 20 0 JFADRN CCc1ccc(-c2nnc(N(C)Cc3ncnn3CC(F)F)n2C[C@@]2(O)CCO[C@H]2C)cc1 ZINC001292468723 1065194637 /nfs/dbraw/zinc/19/46/37/1065194637.db2.gz QPCJQKGFFDSHFB-NYHFZMIOSA-N 0 0 461.517 2.540 20 0 JFADRN COc1cc2c(cc1OC)CN(CC(=O)N1CCN(C(=O)c3cccc(Cl)c3)CC1)CC2 ZINC001292469177 1065195268 /nfs/dbraw/zinc/19/52/68/1065195268.db2.gz UNPFHJNHCISKNB-UHFFFAOYSA-N 0 0 457.958 2.700 20 0 JFADRN CN(Cc1ccn(-c2ccccc2)n1)C(=O)Cn1nc(Br)c(Br)n1 ZINC001292469817 1065195284 /nfs/dbraw/zinc/19/52/84/1065195284.db2.gz IDVUMWBRWCONTB-UHFFFAOYSA-N 0 0 454.126 2.647 20 0 JFADRN CCc1ccc(-c2nnc(N(C)C[C@H]3CCCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC001292469918 1065195882 /nfs/dbraw/zinc/19/58/82/1065195882.db2.gz YESQBSAFHBKRTE-VQTJNVASSA-N 0 0 461.632 2.652 20 0 JFADRN O=C(CN(Cc1cccnc1)c1ccccc1)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC001292470525 1065197157 /nfs/dbraw/zinc/19/71/57/1065197157.db2.gz RHHGMZSXVYJUBZ-UHFFFAOYSA-N 0 0 458.971 2.836 20 0 JFADRN CCc1ccc(-c2nnc(N(C)CCCNC(=O)C3CCC3)n2C[C@@]2(O)CCO[C@H]2C)cc1 ZINC001292471670 1065197712 /nfs/dbraw/zinc/19/77/12/1065197712.db2.gz KWIDPNJMPFKFFD-BVZFJXPGSA-N 0 0 455.603 2.790 20 0 JFADRN CCc1ccc(-c2nnc(N(C)CCOC)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)cc1 ZINC001292473404 1065198487 /nfs/dbraw/zinc/19/84/87/1065198487.db2.gz CEDRTNDUFBXJIN-SFTDATJTSA-N 0 0 455.582 2.936 20 0 JFADRN CCc1ccc(-c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2C[C@]2(C)CN(C)C2=O)cc1 ZINC001292473726 1065199069 /nfs/dbraw/zinc/19/90/69/1065199069.db2.gz LDMIVXJZLWIWIS-CEYNDMKZSA-N 0 0 454.619 2.531 20 0 JFADRN CCc1ccc(-c2nnc(N(CC)CCS(C)(=O)=O)n2C[C@H]2CCn3ccnc3C2)cc1 ZINC001292476962 1065200816 /nfs/dbraw/zinc/20/08/16/1065200816.db2.gz RBJDICGJSYPNKJ-IBGZPJMESA-N 0 0 456.616 2.838 20 0 JFADRN CCc1ccc(-c2nnc(N3C[C@H](N4CCOCC4)[C@@H](C)C3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001292477917 1065201931 /nfs/dbraw/zinc/20/19/31/1065201931.db2.gz DCZNBAMPMWHXIE-UGKGYDQZSA-N 0 0 468.646 2.969 20 0 JFADRN CCc1ccc(-c2nnc(N3C[C@@H](C(=O)NCCOC)CC[C@H]3C)n2CCc2cn[nH]c2)cc1 ZINC001292479220 1065203211 /nfs/dbraw/zinc/20/32/11/1065203211.db2.gz NCMKNRQROWXFFU-GCJKJVERSA-N 0 0 465.602 2.841 20 0 JFADRN CCc1ccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2Cc2ccc(C)n(C)c2=O)cc1 ZINC001292479761 1065204237 /nfs/dbraw/zinc/20/42/37/1065204237.db2.gz UFTRTCFYKBXWFW-UHFFFAOYSA-N 0 0 469.611 2.576 20 0 JFADRN CCc1ccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2CCc2nnc(C)s2)cc1 ZINC001292479760 1065204248 /nfs/dbraw/zinc/20/42/48/1065204248.db2.gz UFDHIEKYNHEKPE-UHFFFAOYSA-N 0 0 460.629 2.924 20 0 JFADRN CCc1ccc(-c2nnc(N3C[C@H](C)O[C@@]4(CCO[C@@H]4C)C3)n2CCS(=O)(=O)CC)cc1 ZINC001292483705 1065205153 /nfs/dbraw/zinc/20/51/53/1065205153.db2.gz CYHBDBGWRSRIBY-IXFSTUDKSA-N 0 0 462.616 2.715 20 0 JFADRN CCc1ccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CC[S@@](=O)CC)cc1 ZINC001292485351 1065206947 /nfs/dbraw/zinc/20/69/47/1065206947.db2.gz PQPKTOXPDXEBMK-IAQAZVPISA-N 0 0 471.549 2.781 20 0 JFADRN CCc1ccc(-c2nnc(N3CCC(C(=O)Nc4nncs4)CC3)n2CC(C)(C)O)cc1 ZINC001292485324 1065207032 /nfs/dbraw/zinc/20/70/32/1065207032.db2.gz OYKVLQNCYFINPU-UHFFFAOYSA-N 0 0 455.588 2.985 20 0 JFADRN CCc1ccc(-c2nnc(N3C[C@H](C)OC4(CCOCC4)C3)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001292488432 1065209220 /nfs/dbraw/zinc/20/92/20/1065209220.db2.gz ZDJMCVMMIGMCCP-IBGZPJMESA-N 0 0 491.658 2.610 20 0 JFADRN CCc1ccc(-c2nnc(N3CCC(C(=O)OC)CC3)n2CCCN(C)S(=O)(=O)CC)cc1 ZINC001292488280 1065209268 /nfs/dbraw/zinc/20/92/68/1065209268.db2.gz KIDNQDQULIZRCN-UHFFFAOYSA-N 0 0 477.631 2.569 20 0 JFADRN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 ZINC001292490885 1065212283 /nfs/dbraw/zinc/21/22/83/1065212283.db2.gz XNKOIIIIDSNUED-DLBZAZTESA-N 0 0 457.538 2.970 20 0 JFADRN CC(C)(C)OC(=O)N1CCC[C@@](O)(C2(C(=O)NCCN3C(=O)Cc4ccccc43)CCC2)C1 ZINC001292494590 1065212699 /nfs/dbraw/zinc/21/26/99/1065212699.db2.gz QTUKHOTTYGZQEB-VWLOTQADSA-N 0 0 457.571 2.624 20 0 JFADRN CCc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCNC(=O)c2ccco2)cc1 ZINC001292495825 1065214114 /nfs/dbraw/zinc/21/41/14/1065214114.db2.gz ACWYWMAFRQPYPC-UHFFFAOYSA-N 0 0 471.583 2.544 20 0 JFADRN CCc1ccc(-c2nnc(N3CCC(NS(=O)(=O)CC)CC3)n2C[C@H]2CCC[C@H](O)C2)cc1 ZINC001292497402 1065216797 /nfs/dbraw/zinc/21/67/97/1065216797.db2.gz GCHGMJGMDXBZND-UGKGYDQZSA-N 0 0 475.659 2.967 20 0 JFADRN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)c2cccc(-n3nc(C)c(CC)c3C)c2)C1 ZINC001292498019 1065217675 /nfs/dbraw/zinc/21/76/75/1065217675.db2.gz RKKZBFPBTANKKH-HXUWFJFHSA-N 0 0 454.571 2.925 20 0 JFADRN CCc1ccc(-c2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2CCCc2nc(C)no2)cc1 ZINC001292498211 1065218120 /nfs/dbraw/zinc/21/81/20/1065218120.db2.gz MOBFVCVOGJSIIW-UHFFFAOYSA-N 0 0 487.630 2.692 20 0 JFADRN CCc1ccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC(=O)NC2CCCCC2)cc1 ZINC001292498253 1065218138 /nfs/dbraw/zinc/21/81/38/1065218138.db2.gz QBLSXOIAVWPILZ-FQEVSTJZSA-N 0 0 459.616 2.580 20 0 JFADRN CCc1ccc(-c2nnc(N3CCC(S(=O)(=O)CC)CC3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001292499598 1065219651 /nfs/dbraw/zinc/21/96/51/1065219651.db2.gz WUQWHBQFDKCGNB-UHFFFAOYSA-N 0 0 487.548 2.590 20 0 JFADRN CCc1ccc(-c2nnc(N3CCC(NC(=O)COC)CC3)n2CC2([S@@](C)=O)CCC2)cc1 ZINC001292499776 1065220220 /nfs/dbraw/zinc/22/02/20/1065220220.db2.gz XVTUHCHTHKJSMM-MGBGTMOVSA-N 0 0 473.643 2.540 20 0 JFADRN CC(C)(C)OC(=O)N1CCCCC[C@@H]1C(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1 ZINC001292503260 1065221089 /nfs/dbraw/zinc/22/10/89/1065221089.db2.gz BHIHOHKZYFMTEX-GOSISDBHSA-N 0 0 456.547 2.713 20 0 JFADRN CCc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC001292503908 1065221446 /nfs/dbraw/zinc/22/14/46/1065221446.db2.gz LUEWSYKWQZURFE-LAUBAEHRSA-N 0 0 454.543 2.539 20 0 JFADRN 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