smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3)C2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001305795181 1069314131 /nfs/dbraw/zinc/31/41/31/1069314131.db2.gz OTALACNOGMICGI-ZFGGDYGUSA-N 0 1 498.672 3.274 20 0 JGADMN CCC(CC)NC(=O)c1nnc(N2CC[C@H](OC)C2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001305797981 1069319490 /nfs/dbraw/zinc/31/94/90/1069319490.db2.gz JFWFEHASKANXIQ-RBUKOAKNSA-N 0 1 460.648 3.320 20 0 JGADMN CCC(CC)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305801749 1069324750 /nfs/dbraw/zinc/32/47/50/1069324750.db2.gz HIYPYDCXQFVZMM-AGILITTLSA-N 0 1 499.679 3.164 20 0 JGADMN CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCC2)CC1)Oc1ccccc1F ZINC001305802879 1069327043 /nfs/dbraw/zinc/32/70/43/1069327043.db2.gz JVXLOTWIYOAIDY-LJQANCHMSA-N 0 1 458.582 3.088 20 0 JGADMN CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C)OC 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ZINC001300929737 1065729848 /nfs/dbraw/zinc/72/98/48/1065729848.db2.gz DRVYWPUICLNUAK-UHFFFAOYSA-N 0 1 475.037 3.209 20 0 JGADMN COCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001300949517 1065752443 /nfs/dbraw/zinc/75/24/43/1065752443.db2.gz OKZWYXWABIOXPF-UHFFFAOYSA-N 0 1 481.645 3.284 20 0 JGADMN COC[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC001300964956 1065774126 /nfs/dbraw/zinc/77/41/26/1065774126.db2.gz NMUGHXVIXNCMBN-NQIIRXRSSA-N 0 1 471.005 3.132 20 0 JGADMN COC[C@@H](C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001300979607 1065790436 /nfs/dbraw/zinc/79/04/36/1065790436.db2.gz YQJHTQXKOQDQNH-XZOQPEGZSA-N 0 1 454.663 3.408 20 0 JGADMN COC[C@@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1 ZINC001300989095 1065802745 /nfs/dbraw/zinc/80/27/45/1065802745.db2.gz AUTJTOOHRZABCZ-DXBBTUNJSA-N 0 1 463.667 3.028 20 0 JGADMN COC[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC2CC2)CC1 ZINC001300993082 1065810815 /nfs/dbraw/zinc/81/08/15/1065810815.db2.gz XFRHTXPOAWAPIN-QUCCMNQESA-N 0 1 462.639 3.165 20 0 JGADMN COC[C@H](F)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001301045105 1065891451 /nfs/dbraw/zinc/89/14/51/1065891451.db2.gz QJRDQXRILXRZQC-QZTJIDSGSA-N 0 1 452.372 3.367 20 0 JGADMN COC[C@H](F)Cn1c(-c2ccc(Br)s2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001301047240 1065894627 /nfs/dbraw/zinc/89/46/27/1065894627.db2.gz HYSUWRJJXQNJAE-ZIAGYGMSSA-N 0 1 458.401 3.428 20 0 JGADMN COC[C@H](F)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001301048594 1065896477 /nfs/dbraw/zinc/89/64/77/1065896477.db2.gz NZOBGRRAIDQGRW-HUUCEWRRSA-N 0 1 488.427 3.055 20 0 JGADMN COC[C@@H](F)Cn1c(-c2ccccc2C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC001301053837 1065903449 /nfs/dbraw/zinc/90/34/49/1065903449.db2.gz RKSKOFWBVGKWJK-IEIRFRATSA-N 0 1 469.609 3.491 20 0 JGADMN COC[C@H](F)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC001301078448 1065928457 /nfs/dbraw/zinc/92/84/57/1065928457.db2.gz AKBAMSCHEPHZTA-SSGKUCQKSA-N 0 1 489.636 3.037 20 0 JGADMN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(I)c2O)CC[C@H]1F ZINC001301100026 1065947148 /nfs/dbraw/zinc/94/71/48/1065947148.db2.gz IPRYOLRTGLEFFC-DGCLKSJQSA-N 0 1 464.275 3.074 20 0 JGADMN COCC1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCN(C(C)C)CC2)CCC1 ZINC001301125059 1065966506 /nfs/dbraw/zinc/96/65/06/1065966506.db2.gz LKFMEKGAXNXGNG-UHFFFAOYSA-N 0 1 475.037 3.209 20 0 JGADMN COCC1(Cn2c(N3CCC(CCCN4CCOCC4)CC3)nnc2C(C)(C)C)CCOCC1 ZINC001301152672 1065988625 /nfs/dbraw/zinc/98/86/25/1065988625.db2.gz RKTPXNKMKAWKJP-UHFFFAOYSA-N 0 1 477.694 3.348 20 0 JGADMN COCC1=CCN(c2nnc(CC(C)C)n2C[C@H](C)N2CCN(c3ccccc3)CC2)CC1 ZINC001301195600 1066022433 /nfs/dbraw/zinc/02/24/33/1066022433.db2.gz WULWLPPDQBQIBE-QFIPXVFZSA-N 0 1 452.647 3.470 20 0 JGADMN COCC1=CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301204016 1066027878 /nfs/dbraw/zinc/02/78/78/1066027878.db2.gz NCXVLLUWTGJVAR-BGYRXZFFSA-N 0 1 473.593 3.278 20 0 JGADMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H]3c3nc[nH]n3)ccc2OC)cc1 ZINC001301212859 1066036395 /nfs/dbraw/zinc/03/63/95/1066036395.db2.gz ICDQSTPLPIXRIX-SFHVURJKSA-N 0 1 455.540 3.154 20 0 JGADMN COCc1nocc1Cn1c(CC(C)(C)C)nnc1N1CCN(CCc2ccccc2)CC1 ZINC001301225615 1066045474 /nfs/dbraw/zinc/04/54/74/1066045474.db2.gz YZNPZPBNULLQSE-UHFFFAOYSA-N 0 1 452.603 3.414 20 0 JGADMN COC[C@H]1CCCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCc3ccccc3C2)C1 ZINC001301228683 1066047736 /nfs/dbraw/zinc/04/77/36/1066047736.db2.gz USBYJNPCIPHBLI-SFTDATJTSA-N 0 1 468.646 3.116 20 0 JGADMN COC[C@H]1CCCCN(c2nnc(COc3cc(C)ccc3C)n2CCc2nc(C)n[nH]2)C1 ZINC001301250923 1066068072 /nfs/dbraw/zinc/06/80/72/1066068072.db2.gz IPUWHRJFEKCWLM-FQEVSTJZSA-N 0 1 453.591 3.396 20 0 JGADMN COC[C@H]1CCCCN(c2nnc(COc3cc(C)ccc3C)n2CCc2nnc(C)[nH]2)C1 ZINC001301250923 1066068083 /nfs/dbraw/zinc/06/80/83/1066068083.db2.gz IPUWHRJFEKCWLM-FQEVSTJZSA-N 0 1 453.591 3.396 20 0 JGADMN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1 ZINC001301277629 1066088007 /nfs/dbraw/zinc/08/80/07/1066088007.db2.gz DMSMKFFZEBURET-HNNXBMFYSA-N 0 1 453.902 3.200 20 0 JGADMN CCOc1ccc(N2CCN(C(=O)c3cc(-c4c(C)nn([C@H](C)CC)c4C)[nH]n3)CC2)nn1 ZINC001301285141 1066093482 /nfs/dbraw/zinc/09/34/82/1066093482.db2.gz UMGULAHOSFYFNQ-OAHLLOKOSA-N 0 1 452.563 3.012 20 0 JGADMN COC[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001301293685 1066098313 /nfs/dbraw/zinc/09/83/13/1066098313.db2.gz IWVXLCWPQLCPHT-SLFFLAALSA-N 0 1 487.645 3.323 20 0 JGADMN COC[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301294259 1066099236 /nfs/dbraw/zinc/09/92/36/1066099236.db2.gz LNQZVAITPKSTHQ-HSALFYBXSA-N 0 1 457.619 3.314 20 0 JGADMN COC[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C(C)C)N2CCOCC2)C1 ZINC001301294343 1066099436 /nfs/dbraw/zinc/09/94/36/1066099436.db2.gz MJHMGDYBXPCBBY-WIYYLYMNSA-N 0 1 479.572 3.376 20 0 JGADMN COC[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](c2ccco2)N(C)C)C1 ZINC001301295051 1066100194 /nfs/dbraw/zinc/10/01/94/1066100194.db2.gz QBRGBUBWELBAKD-WMLDXEAASA-N 0 1 463.380 3.404 20 0 JGADMN COCC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 ZINC001301322855 1066119051 /nfs/dbraw/zinc/11/90/51/1066119051.db2.gz GKVXUIHDSAFFJX-IBGZPJMESA-N 0 1 462.038 3.353 20 0 JGADMN COC[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 ZINC001301341733 1066131649 /nfs/dbraw/zinc/13/16/49/1066131649.db2.gz JZTIUYBTTIXNQB-FDFHNCONSA-N 0 1 457.619 3.138 20 0 JGADMN CCN(C)Cc1cc(O[C@H]2CCN(C(=O)c3cccn4ncc(Br)c34)C2)ccn1 ZINC001301364842 1066159882 /nfs/dbraw/zinc/15/98/82/1066159882.db2.gz ZBMXFLIAJKWDOS-KRWDZBQOSA-N 0 1 458.360 3.237 20 0 JGADMN COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H](C)O1 ZINC001301368952 1066163497 /nfs/dbraw/zinc/16/34/97/1066163497.db2.gz MYRBSIBYNOBKTR-RLLQIKCJSA-N 0 1 496.027 3.335 20 0 JGADMN COC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2C[C@@H](c2ccco2)N(C)C)C[C@H](C)O1 ZINC001301397756 1066178550 /nfs/dbraw/zinc/17/85/50/1066178550.db2.gz UHTJMQIKXUEMAA-JBACZVJFSA-N 0 1 469.586 3.014 20 0 JGADMN COCC[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C ZINC001301438567 1066241480 /nfs/dbraw/zinc/24/14/80/1066241480.db2.gz BLQDTTXAXRWYRM-CLOONOSVSA-N 0 1 453.587 3.345 20 0 JGADMN COCC[C@@](C)(O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C2CCC2)CC1 ZINC001301443160 1066251590 /nfs/dbraw/zinc/25/15/90/1066251590.db2.gz UPLYJEDIFQPFLD-HSZRJFAPSA-N 0 1 492.462 3.478 20 0 JGADMN C[C@@H]1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C[C@@H]1NC(=O)C(F)(F)F ZINC001301443943 1066253547 /nfs/dbraw/zinc/25/35/47/1066253547.db2.gz RVROXIACVJQBTM-SKDRFNHKSA-N 0 1 460.806 3.471 20 0 JGADMN COCC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001301443959 1066254104 /nfs/dbraw/zinc/25/41/04/1066254104.db2.gz ZEXNJFNDKRPETJ-MHECFPHRSA-N 0 1 496.027 3.074 20 0 JGADMN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(Cl)c2)n1CCN1CCCCC1 ZINC001301983061 1066291620 /nfs/dbraw/zinc/29/16/20/1066291620.db2.gz NEHPNYOYQZAFSA-SJORKVTESA-N 0 1 454.040 3.342 20 0 JGADMN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCC(C)(C)C1 ZINC001301990653 1066309558 /nfs/dbraw/zinc/30/95/58/1066309558.db2.gz SPNBWSIFZCLGJQ-IAGOWNOFSA-N 0 1 483.082 3.373 20 0 JGADMN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCCCC1 ZINC001301995637 1066322211 /nfs/dbraw/zinc/32/22/11/1066322211.db2.gz HTBWCZHYQLXSTL-ROUUACIJSA-N 0 1 483.629 3.281 20 0 JGADMN COCC[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2CCc3ccccc3C2)C1 ZINC001301498144 1066324460 /nfs/dbraw/zinc/32/44/60/1066324460.db2.gz CBMOYCJUVNEGIO-HXUWFJFHSA-N 0 1 468.646 3.116 20 0 JGADMN CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CCN2CCSCC2)C1 ZINC001302016862 1066366160 /nfs/dbraw/zinc/36/61/60/1066366160.db2.gz UWORNWBCZNWPOI-FQEVSTJZSA-N 0 1 490.743 3.358 20 0 JGADMN CC(C)(C)C(=O)NCCn1c(CC2CCCC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC001302020588 1066373201 /nfs/dbraw/zinc/37/32/01/1066373201.db2.gz DUQGKJNNLNMKOI-QHCPKHFHSA-N 0 1 482.673 3.029 20 0 JGADMN Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](NC(=O)CN(C)C)c2ccccc2)cc1 ZINC001301571804 1066397952 /nfs/dbraw/zinc/39/79/52/1066397952.db2.gz SPNJRYHKFGEUHN-DQEYMECFSA-N 0 1 451.592 3.434 20 0 JGADMN COCCCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001301582467 1066418058 /nfs/dbraw/zinc/41/80/58/1066418058.db2.gz SPOYSNNFPHIXIO-UHFFFAOYSA-N 0 1 454.663 3.247 20 0 JGADMN COCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOc2ccccc2)CC1 ZINC001301629452 1066489343 /nfs/dbraw/zinc/48/93/43/1066489343.db2.gz GPPGVACVQJZEET-UHFFFAOYSA-N 0 1 489.418 3.273 20 0 JGADMN COCCO[C@@H](C)c1nnc(N2CCN(Cc3ccccc3C)CC2)n1CC1CCOCC1 ZINC001302089784 1066517283 /nfs/dbraw/zinc/51/72/83/1066517283.db2.gz RMYCWXLTHRAGGC-NRFANRHFSA-N 0 1 457.619 3.059 20 0 JGADMN COCCO[C@H](C)c1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCCOC1 ZINC001302090443 1066517904 /nfs/dbraw/zinc/51/79/04/1066517904.db2.gz VHAKELVAQPLGGT-QZNHQXDQSA-N 0 1 457.619 3.139 20 0 JGADMN 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ZINC001301650237 1066516268 /nfs/dbraw/zinc/51/62/68/1066516268.db2.gz QIXHXLSEFFQJCG-SFHVURJKSA-N 0 1 452.316 3.284 20 0 JGADMN COCCO[C@H](C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCCOC1 ZINC001302090442 1066517594 /nfs/dbraw/zinc/51/75/94/1066517594.db2.gz VHAKELVAQPLGGT-MQSCRBSSSA-N 0 1 457.619 3.139 20 0 JGADMN COCCO[C@@H](C)c1nnc(N2CCN3CCCC[C@H]3C2)n1Cc1ccc(F)c(COC)c1 ZINC001302093467 1066521149 /nfs/dbraw/zinc/52/11/49/1066521149.db2.gz VMGFRBCQBNLNQE-RXVVDRJESA-N 0 1 461.582 3.010 20 0 JGADMN COCCO[C@H](C)c1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@H]1CN(CC(C)C)CCO1 ZINC001302106056 1066540972 /nfs/dbraw/zinc/54/09/72/1066540972.db2.gz UYWFKHSOHCCAPL-DHIUTWEWSA-N 0 1 493.693 3.289 20 0 JGADMN COCCO[C@@H](C)c1nnc(N2CCSC(C)(C)C2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001302105817 1066540999 /nfs/dbraw/zinc/54/09/99/1066540999.db2.gz QNFRGPUOTKTRHF-OTWHNJEPSA-N 0 1 469.696 3.222 20 0 JGADMN CC(C)(C)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCSCC2)CCO1 ZINC001302112477 1066552961 /nfs/dbraw/zinc/55/29/61/1066552961.db2.gz RWNLZNTYGCMYLH-QGZVFWFLSA-N 0 1 451.040 3.294 20 0 JGADMN COCCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CN(CC(C)C)CCO1 ZINC001301691760 1066578608 /nfs/dbraw/zinc/57/86/08/1066578608.db2.gz SAUMAYDSNNTHRI-GOSISDBHSA-N 0 1 496.450 3.156 20 0 JGADMN COCCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CN(CC(C)C)CCO1 ZINC001301691761 1066579289 /nfs/dbraw/zinc/57/92/89/1066579289.db2.gz SAUMAYDSNNTHRI-SFHVURJKSA-N 0 1 496.450 3.156 20 0 JGADMN COCCN(C)c1nnc(-c2ccc(Br)s2)n1CCCN1C[C@H](C)O[C@@H](C)C1 ZINC001301692665 1066580298 /nfs/dbraw/zinc/58/02/98/1066580298.db2.gz RNGGZVHQOLELCW-GJZGRUSLSA-N 0 1 472.453 3.351 20 0 JGADMN COCCN(C)c1nnc(-c2cccc3cccnc32)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001301694857 1066582556 /nfs/dbraw/zinc/58/25/56/1066582556.db2.gz SQUZLAXFMSSDDK-KDURUIRLSA-N 0 1 452.603 3.464 20 0 JGADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC001302139501 1066586065 /nfs/dbraw/zinc/58/60/65/1066586065.db2.gz NFWPOFWPTGMWLW-WMLDXEAASA-N 0 1 472.485 3.047 20 0 JGADMN COCCN(C)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001301707260 1066597564 /nfs/dbraw/zinc/59/75/64/1066597564.db2.gz XJVAMOIDTCKQRF-PMACEKPBSA-N 0 1 454.619 3.252 20 0 JGADMN COCCN(C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001301713291 1066611732 /nfs/dbraw/zinc/61/17/32/1066611732.db2.gz KGWCFGBNYAARAB-SIKLNZKXSA-N 0 1 475.659 3.086 20 0 JGADMN CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](c2ccco2)N(C)C)CC1 ZINC001301720573 1066623758 /nfs/dbraw/zinc/62/37/58/1066623758.db2.gz ABLCMNKLSGPZFB-IBGZPJMESA-N 0 1 460.941 3.302 20 0 JGADMN COCCOC1CCN(c2nnc(-c3ccc(Br)s3)n2CCc2nc(C)n[nH]2)CC1 ZINC001302165640 1066628034 /nfs/dbraw/zinc/62/80/34/1066628034.db2.gz HNIXFBDMURNLEM-UHFFFAOYSA-N 0 1 496.435 3.070 20 0 JGADMN COCCOC1CCN(c2nnc(-c3ccc(Br)s3)n2CCc2nnc(C)[nH]2)CC1 ZINC001302165640 1066628038 /nfs/dbraw/zinc/62/80/38/1066628038.db2.gz HNIXFBDMURNLEM-UHFFFAOYSA-N 0 1 496.435 3.070 20 0 JGADMN CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)CN2CCOCC2)[C@@H](C)C1 ZINC001301724861 1066638346 /nfs/dbraw/zinc/63/83/46/1066638346.db2.gz KADRATUVERKNEG-SFTDATJTSA-N 0 1 482.673 3.268 20 0 JGADMN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN[C@H](Cc3ccccc3)C2)ccc1Cl ZINC001302177996 1066653688 /nfs/dbraw/zinc/65/36/88/1066653688.db2.gz LNCDMVOAADPYCS-LJQANCHMSA-N 0 1 450.004 3.027 20 0 JGADMN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCN[C@@H](Cc4ccccc4)C3)c2)C1 ZINC001302178578 1066653726 /nfs/dbraw/zinc/65/37/26/1066653726.db2.gz WKDRNBWKENBIQO-MZKRTTBSSA-N 0 1 455.624 3.010 20 0 JGADMN CC(C)(C)OC(=O)N1CCOc2ccccc2[C@H]1C(=O)N1CCN[C@H](Cc2ccccc2)C1 ZINC001302186389 1066665887 /nfs/dbraw/zinc/66/58/87/1066665887.db2.gz ZOBXMUDAPQENQL-OFNKIYASSA-N 0 1 451.567 3.400 20 0 JGADMN COCCOC1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001302190552 1066671413 /nfs/dbraw/zinc/67/14/13/1066671413.db2.gz WXHRNODQNCTVKC-FGZHOGPDSA-N 0 1 461.582 3.203 20 0 JGADMN CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001301750590 1066680395 /nfs/dbraw/zinc/68/03/95/1066680395.db2.gz VZSKSHRJSGXLOQ-HSZRJFAPSA-N 0 1 466.655 3.486 20 0 JGADMN CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC001301751069 1066681694 /nfs/dbraw/zinc/68/16/94/1066681694.db2.gz WZIGRJDXCBQIBN-FSSWDIPSSA-N 0 1 498.672 3.110 20 0 JGADMN CC(C)(C)N1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001302196066 1066685858 /nfs/dbraw/zinc/68/58/58/1066685858.db2.gz ZAMKFYTVJCCQRU-QGZVFWFLSA-N 0 1 466.051 3.344 20 0 JGADMN CC(C)(C)N1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001302200038 1066693282 /nfs/dbraw/zinc/69/32/82/1066693282.db2.gz JAKOXTQCHSKRLK-SFHVURJKSA-N 0 1 495.640 3.425 20 0 JGADMN CC(C)(C)N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)CC1 ZINC001302200643 1066694721 /nfs/dbraw/zinc/69/47/21/1066694721.db2.gz QCFULBUBUVWFCV-HXUWFJFHSA-N 0 1 481.707 3.230 20 0 JGADMN CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301759734 1066696747 /nfs/dbraw/zinc/69/67/47/1066696747.db2.gz ORGOTAVAAICWRA-SZPZYZBQSA-N 0 1 498.672 3.030 20 0 JGADMN COCCN(CC(C)C)c1nnc([C@H]2CCCOC2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001301772603 1066716014 /nfs/dbraw/zinc/71/60/14/1066716014.db2.gz OLMIRXTUTBEKHY-HBMCJLEFSA-N 0 1 451.656 3.169 20 0 JGADMN CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCN(CC4CC4)CC3)n2CCOCC(F)F)CC1 ZINC001302222227 1066730344 /nfs/dbraw/zinc/73/03/44/1066730344.db2.gz MRGHHSMTKSMXFM-UHFFFAOYSA-N 0 1 498.619 3.206 20 0 JGADMN CC(=O)Nc1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(C(C)C)CC2)cn1 ZINC001301787396 1066735832 /nfs/dbraw/zinc/73/58/32/1066735832.db2.gz AXGQIHIKGOQRPR-UHFFFAOYSA-N 0 1 469.540 3.079 20 0 JGADMN CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCC(C)(N3CCOCC3)CC2)cc1 ZINC001302226749 1066739969 /nfs/dbraw/zinc/73/99/69/1066739969.db2.gz RJQJWFUAAJMCOV-NRFANRHFSA-N 0 1 459.656 3.213 20 0 JGADMN CC(=O)NC1CCC(N(C)c2nnc(COc3cc(C)cc(C)c3)n2CCc2nc(C)n[nH]2)CC1 ZINC001301807373 1066760906 /nfs/dbraw/zinc/76/09/06/1066760906.db2.gz LBSHMHUAADXERB-UHFFFAOYSA-N 0 1 480.617 3.027 20 0 JGADMN CC(=O)NC1CCC(N(C)c2nnc(COc3cc(C)cc(C)c3)n2CCc2nnc(C)[nH]2)CC1 ZINC001301807373 1066760910 /nfs/dbraw/zinc/76/09/10/1066760910.db2.gz LBSHMHUAADXERB-UHFFFAOYSA-N 0 1 480.617 3.027 20 0 JGADMN COc1cccc(C[C@@H]2CN(C(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)CCN2)c1 ZINC001301813369 1066768176 /nfs/dbraw/zinc/76/81/76/1066768176.db2.gz ZAKVYYXPSSJJTO-RBUKOAKNSA-N 0 1 451.633 3.075 20 0 JGADMN CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCCO3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001301813947 1066769532 /nfs/dbraw/zinc/76/95/32/1066769532.db2.gz OPSQOUWOHHOEIO-ZSTXGWIISA-N 0 1 472.609 3.455 20 0 JGADMN CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCCN2CCOCC2)C1 ZINC001301817125 1066774784 /nfs/dbraw/zinc/77/47/84/1066774784.db2.gz BPMBODDPIWRPKU-IBGZPJMESA-N 0 1 495.455 3.469 20 0 JGADMN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)c2cc(OC)cc(OC)c2)n1CCN1CC=CCC1 ZINC001302245608 1066775611 /nfs/dbraw/zinc/77/56/11/1066775611.db2.gz YQCNSXZCEUICHP-AVRDEDQJSA-N 0 1 457.575 3.049 20 0 JGADMN CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCc2nc(C)n[nH]2)C1 ZINC001301818696 1066779132 /nfs/dbraw/zinc/77/91/32/1066779132.db2.gz NDTLIRQFSFBTFA-OAQYLSRUSA-N 0 1 480.617 3.144 20 0 JGADMN CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCc2nnc(C)[nH]2)C1 ZINC001301818696 1066779138 /nfs/dbraw/zinc/77/91/38/1066779138.db2.gz NDTLIRQFSFBTFA-OAQYLSRUSA-N 0 1 480.617 3.144 20 0 JGADMN CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc(-c3cccnc3)n2CCCCN2CCOCC2)C1 ZINC001302251947 1066788515 /nfs/dbraw/zinc/78/85/15/1066788515.db2.gz AUPCZRTYWQKBNI-OAQYLSRUSA-N 0 1 499.660 3.194 20 0 JGADMN CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301826398 1066790344 /nfs/dbraw/zinc/79/03/44/1066790344.db2.gz DGVQVSRAYJTJRB-YYDVJCTNSA-N 0 1 486.636 3.001 20 0 JGADMN CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN2CC=CCC2)C1 ZINC001302252614 1066790971 /nfs/dbraw/zinc/79/09/71/1066790971.db2.gz FHJGALHJQWALIF-WOJBJXKFSA-N 0 1 460.623 3.133 20 0 JGADMN CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCCCN2CCOCC2)C1 ZINC001302252742 1066791894 /nfs/dbraw/zinc/79/18/94/1066791894.db2.gz GJKBHAQHWUWWNU-NRFANRHFSA-N 0 1 484.645 3.409 20 0 JGADMN COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001301828306 1066794116 /nfs/dbraw/zinc/79/41/16/1066794116.db2.gz YGVHTRMUADLINC-UHFFFAOYSA-N 0 1 488.434 3.108 20 0 JGADMN CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001301828976 1066794443 /nfs/dbraw/zinc/79/44/43/1066794443.db2.gz QZQAYWOUOLRRJY-IRLDBZIGSA-N 0 1 470.618 3.477 20 0 JGADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCCCCCNC(=O)CC2)c1 ZINC001302256731 1066800425 /nfs/dbraw/zinc/80/04/25/1066800425.db2.gz ZZTOUVJXFGNGLY-UHFFFAOYSA-N 0 1 459.568 3.019 20 0 JGADMN COCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001301840503 1066811667 /nfs/dbraw/zinc/81/16/67/1066811667.db2.gz IZSHLJWZSWJAPH-UHFFFAOYSA-N 0 1 466.552 3.068 20 0 JGADMN CC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001301844221 1066816959 /nfs/dbraw/zinc/81/69/59/1066816959.db2.gz HEYGASOKILVWIY-FQEVSTJZSA-N 0 1 473.672 3.103 20 0 JGADMN COCCN1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC001301873984 1066873987 /nfs/dbraw/zinc/87/39/87/1066873987.db2.gz CPYUINLEPQAAGP-QGZVFWFLSA-N 0 1 484.567 3.311 20 0 JGADMN COCCN1CCN(c2nnc(C(C)(C)C)n2CCc2nc(C(F)(F)F)cs2)C[C@@H]1C ZINC001301876456 1066877996 /nfs/dbraw/zinc/87/79/96/1066877996.db2.gz WJAWCHIZMRJCJQ-AWEZNQCLSA-N 0 1 460.570 3.451 20 0 JGADMN COCCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C2CC(C(C)(C)C)C2)C[C@@H]1C ZINC001301876617 1066878117 /nfs/dbraw/zinc/87/81/17/1066878117.db2.gz GEHYNYXPAOFNIB-CBXLAJNBSA-N 0 1 463.667 3.473 20 0 JGADMN COCCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CCCCCC2)C[C@H]1C ZINC001301881112 1066887255 /nfs/dbraw/zinc/88/72/55/1066887255.db2.gz CBIPZJTXUMHYJR-HXUWFJFHSA-N 0 1 487.645 3.205 20 0 JGADMN COCCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2nccn2C(F)F)C[C@@H]1C ZINC001301881390 1066888464 /nfs/dbraw/zinc/88/84/64/1066888464.db2.gz FNCQISKJLOPHKT-HNNXBMFYSA-N 0 1 497.497 3.343 20 0 JGADMN COCCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccs2)C[C@@H]1C ZINC001301882640 1066890365 /nfs/dbraw/zinc/89/03/65/1066890365.db2.gz QQWLFVQTDFHCFA-HNNXBMFYSA-N 0 1 479.448 3.497 20 0 JGADMN COCCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC2(C)C)C[C@H]1C ZINC001301882730 1066890424 /nfs/dbraw/zinc/89/04/24/1066890424.db2.gz SQIMBTYTROPQMS-CVEARBPZSA-N 0 1 465.440 3.249 20 0 JGADMN COCCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCOc2ncccc2F)C[C@@H]1C ZINC001301883694 1066892285 /nfs/dbraw/zinc/89/22/85/1066892285.db2.gz ZXQVAXCIJUPUNE-KRWDZBQOSA-N 0 1 474.968 3.369 20 0 JGADMN COCCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCC[C@H]2C)C[C@H]1C ZINC001301886362 1066897403 /nfs/dbraw/zinc/89/74/03/1066897403.db2.gz 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UBXMDDPJIHSHCS-IBGZPJMESA-N 0 1 466.051 3.421 20 0 JGADMN CO[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CN(CC(C)C)CCO2)CC1(C)C ZINC001300841225 1065579230 /nfs/dbraw/zinc/57/92/30/1065579230.db2.gz HLWQFMSWTAGGHC-DHIUTWEWSA-N 0 1 471.646 3.384 20 0 JGADMN CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CN(CC(C)C)CCO2)CC[C@H]1C ZINC001300851981 1065597066 /nfs/dbraw/zinc/59/70/66/1065597066.db2.gz ZDWZQIHVGGUQPQ-GNJRFXKQSA-N 0 1 477.694 3.415 20 0 JGADMN COCC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 ZINC001300880242 1065663807 /nfs/dbraw/zinc/66/38/07/1065663807.db2.gz JAFVGPXAZHXQKS-FQEVSTJZSA-N 0 1 487.004 3.098 20 0 JGADMN CCN(C(=O)c1cc(C)cc2c[nH]nc21)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001300911652 1065711366 /nfs/dbraw/zinc/71/13/66/1065711366.db2.gz QEVQDWKMGMXZIF-KRWDZBQOSA-N 0 1 457.575 3.191 20 0 JGADMN COC[C@@H](C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC2CC2)CC1 ZINC001301002726 1065829673 /nfs/dbraw/zinc/82/96/73/1065829673.db2.gz IGRBFAVOABIUAY-PZJWPPBQSA-N 0 1 476.666 3.207 20 0 JGADMN COC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCc2cccs2)CC1)OC ZINC001301034304 1065876002 /nfs/dbraw/zinc/87/60/02/1065876002.db2.gz NJXBIAOHSXKDFV-CEMLEFRQSA-N 0 1 491.702 3.284 20 0 JGADMN COC[C@H](F)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001301038009 1065880196 /nfs/dbraw/zinc/88/01/96/1065880196.db2.gz CRSVOFDKEMZRPD-IRFCIJBXSA-N 0 1 479.572 3.090 20 0 JGADMN COC[C@H](F)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN2CCCC[C@H]2C1 ZINC001301045101 1065891170 /nfs/dbraw/zinc/89/11/70/1065891170.db2.gz QJRDQXRILXRZQC-MSOLQXFVSA-N 0 1 452.372 3.367 20 0 JGADMN COC[C@@H](F)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001301070158 1065922153 /nfs/dbraw/zinc/92/21/53/1065922153.db2.gz SUAZCPVUSGAVAD-VQTJNVASSA-N 0 1 480.629 3.052 20 0 JGADMN COC[C@H](F)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCC2)CC1 ZINC001301078495 1065929191 /nfs/dbraw/zinc/92/91/91/1065929191.db2.gz BBKMTXRKMJIKSU-MJGOQNOKSA-N 0 1 466.602 3.009 20 0 JGADMN COCC1(C)CCN(c2nnc(CCOc3ccccc3)n2CCN2CCSCC2)CC1 ZINC001301100306 1065947404 /nfs/dbraw/zinc/94/74/04/1065947404.db2.gz LILFSADWBBBGDC-UHFFFAOYSA-N 0 1 459.660 3.201 20 0 JGADMN Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)cc2)c1C ZINC001301133438 1065973922 /nfs/dbraw/zinc/97/39/22/1065973922.db2.gz VFLZEKCWKKLUIM-NRFANRHFSA-N 0 1 457.596 3.087 20 0 JGADMN Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)c2)c1 ZINC001301133792 1065974388 /nfs/dbraw/zinc/97/43/88/1065974388.db2.gz XKUKVOAHELYXAY-OAQYLSRUSA-N 0 1 457.596 3.087 20 0 JGADMN COCc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001301179227 1066010412 /nfs/dbraw/zinc/01/04/12/1066010412.db2.gz TUEJIAQYYNAIIY-VWLOTQADSA-N 0 1 498.716 3.293 20 0 JGADMN COCC1=CCN(c2nnc(CC(C)C)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)CC1 ZINC001301195599 1066022573 /nfs/dbraw/zinc/02/25/73/1066022573.db2.gz WULWLPPDQBQIBE-JOCHJYFZSA-N 0 1 452.647 3.470 20 0 JGADMN O=C(NCc1nnc(C2CCN(C(=O)c3ccncc3Cl)CC2)[nH]1)OCc1ccccc1 ZINC001301210553 1066034574 /nfs/dbraw/zinc/03/45/74/1066034574.db2.gz SNLIVXLJWGTRKB-UHFFFAOYSA-N 0 1 454.918 3.299 20 0 JGADMN O=C(NCc1nc(C2CCN(C(=O)c3ccncc3Cl)CC2)n[nH]1)OCc1ccccc1 ZINC001301210553 1066034586 /nfs/dbraw/zinc/03/45/86/1066034586.db2.gz SNLIVXLJWGTRKB-UHFFFAOYSA-N 0 1 454.918 3.299 20 0 JGADMN CC(C)n1ncc(C(O)(C(F)(F)F)C(F)(F)F)c1NC(=O)Cc1ccc(C(N)=O)cc1 ZINC001301214454 1066037235 /nfs/dbraw/zinc/03/72/35/1066037235.db2.gz ZUMREYXROWJVDV-UHFFFAOYSA-N 0 1 452.355 3.056 20 0 JGADMN CNC(=O)c1cccc(C(=O)Nc2c(C(O)(C(F)(F)F)C(F)(F)F)cnn2C(C)C)c1 ZINC001301214269 1066037427 /nfs/dbraw/zinc/03/74/27/1066037427.db2.gz WUOHOUHUQXFCCM-UHFFFAOYSA-N 0 1 452.355 3.388 20 0 JGADMN COC[C@H]1CCCCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)CN2CCOCC2)C1 ZINC001301247598 1066064552 /nfs/dbraw/zinc/06/45/52/1066064552.db2.gz JACMKFKNGIPCHC-GMAHTHKFSA-N 0 1 455.647 3.399 20 0 JGADMN COC[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCCN2CCOCC2)C1 ZINC001301276337 1066087247 /nfs/dbraw/zinc/08/72/47/1066087247.db2.gz QQEKUJNABWHXCM-NRFANRHFSA-N 0 1 462.038 3.498 20 0 JGADMN COC[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301294269 1066099191 /nfs/dbraw/zinc/09/91/91/1066099191.db2.gz LNQZVAITPKSTHQ-ZCNNSNEGSA-N 0 1 457.619 3.314 20 0 JGADMN O=C(Nc1nc2ccc(I)cc2[nH]1)[C@@H]1Cc2cc(F)ccc2NC1=O ZINC001301315426 1066114517 /nfs/dbraw/zinc/11/45/17/1066114517.db2.gz IHGFRKWHEJBAII-LLVKDONJSA-N 0 1 450.211 3.056 20 0 JGADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)[C@H](C)c2ccccc2)c1 ZINC001301354337 1066143080 /nfs/dbraw/zinc/14/30/80/1066143080.db2.gz MVFUREBTWWMXMI-VGOFRKELSA-N 0 1 454.548 3.390 20 0 JGADMN CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cnc4cc(F)c(F)cc4c3[O-])C2)ccn1 ZINC001301364744 1066159904 /nfs/dbraw/zinc/15/99/04/1066159904.db2.gz XACWMJZFPQRXEG-QGZVFWFLSA-N 0 1 456.493 3.335 20 0 JGADMN CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cnc4cc(F)c(F)cc4c3[O-])C2)ccn1 ZINC001301364744 1066159905 /nfs/dbraw/zinc/15/99/05/1066159905.db2.gz XACWMJZFPQRXEG-QGZVFWFLSA-N 0 1 456.493 3.335 20 0 JGADMN COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC001301370603 1066165085 /nfs/dbraw/zinc/16/50/85/1066165085.db2.gz APQWFFBSQNCLDS-NVJIOZQYSA-N 0 1 487.645 3.082 20 0 JGADMN COCCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001301415973 1066206540 /nfs/dbraw/zinc/20/65/40/1066206540.db2.gz CVROJUMJHIECTA-QFIPXVFZSA-N 0 1 457.619 3.317 20 0 JGADMN COCC[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C ZINC001301438568 1066241449 /nfs/dbraw/zinc/24/14/49/1066241449.db2.gz BLQDTTXAXRWYRM-DFBJGRDBSA-N 0 1 453.587 3.345 20 0 JGADMN CC(C)(C)OC(=O)N1CCN(c2ccnc(NC(=O)Cc3cccc4nsnc43)c2)CC1 ZINC001301977208 1066282359 /nfs/dbraw/zinc/28/23/59/1066282359.db2.gz DOCMKKMKQVUYBZ-UHFFFAOYSA-N 0 1 454.556 3.325 20 0 JGADMN COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CC1(CN2CCOCC2)CCCCC1 ZINC001301982985 1066291311 /nfs/dbraw/zinc/29/13/11/1066291311.db2.gz HANNDSQXKNONCZ-BHIFYINESA-N 0 1 463.667 3.377 20 0 JGADMN C[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)N(C)C1CC1 ZINC001301986745 1066300207 /nfs/dbraw/zinc/30/02/07/1066300207.db2.gz FMVQXTTYVUPOQX-KURKYZTESA-N 0 1 470.643 3.234 20 0 JGADMN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)N(C)C1CC1 ZINC001301986744 1066300368 /nfs/dbraw/zinc/30/03/68/1066300368.db2.gz FMVQXTTYVUPOQX-KSZLIROESA-N 0 1 470.643 3.234 20 0 JGADMN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1C[C@@H](c1ccccc1)N1CCCC1 ZINC001301987202 1066301177 /nfs/dbraw/zinc/30/11/77/1066301177.db2.gz HKFIYAIWFWVYHG-QTEQDKRBSA-N 0 1 482.654 3.435 20 0 JGADMN COCCC1(Cn2c(N3CCN(C[C@@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)CCC1 ZINC001301493602 1066318056 /nfs/dbraw/zinc/31/80/56/1066318056.db2.gz OCXPNXJYBDMIRW-JOCHJYFZSA-N 0 1 476.710 3.014 20 0 JGADMN C[C@H]([C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCCCC1)S(C)(=O)=O ZINC001301995639 1066322109 /nfs/dbraw/zinc/32/21/09/1066322109.db2.gz HTBWCZHYQLXSTL-ZWKOTPCHSA-N 0 1 483.629 3.281 20 0 JGADMN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001302004560 1066341059 /nfs/dbraw/zinc/34/10/59/1066341059.db2.gz VFIVQXUPYYSONE-URVUXULASA-N 0 1 491.702 3.278 20 0 JGADMN CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCSCC2)C1 ZINC001302005412 1066344160 /nfs/dbraw/zinc/34/41/60/1066344160.db2.gz HZUOIEQTKNUJNX-GOSISDBHSA-N 0 1 492.093 3.173 20 0 JGADMN COCC[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301517144 1066345893 /nfs/dbraw/zinc/34/58/93/1066345893.db2.gz YLEBTJVOUJTEEB-HBMCJLEFSA-N 0 1 456.635 3.399 20 0 JGADMN COCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001301551620 1066379503 /nfs/dbraw/zinc/37/95/03/1066379503.db2.gz GXCKSSISHRQACH-UHFFFAOYSA-N 0 1 458.010 3.471 20 0 JGADMN COCCO[C@H](C)c1nnc(N2CCc3cc(F)cc(C)c3C2)n1C[C@@H]1CN(CC(C)C)CCO1 ZINC001302039292 1066411642 /nfs/dbraw/zinc/41/16/42/1066411642.db2.gz VHWYJPAMNPDIQP-OFNKIYASSA-N 0 1 489.636 3.369 20 0 JGADMN COCCCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC001301598663 1066441935 /nfs/dbraw/zinc/44/19/35/1066441935.db2.gz LHLUGLWGSKVVHC-GGAORHGYSA-N 0 1 456.635 3.203 20 0 JGADMN CC(C)(C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001302061645 1066459979 /nfs/dbraw/zinc/45/99/79/1066459979.db2.gz UPSQESBEJUEEJL-GOSISDBHSA-N 0 1 470.584 3.487 20 0 JGADMN CC(C)(C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001302061645 1066459981 /nfs/dbraw/zinc/45/99/81/1066459981.db2.gz UPSQESBEJUEEJL-GOSISDBHSA-N 0 1 470.584 3.487 20 0 JGADMN COCCO[C@@H](C)c1nnc(N2CCCN(Cc3ccc(F)cc3)CC2)n1Cc1c(C)nn(C)c1C ZINC001302072733 1066483557 /nfs/dbraw/zinc/48/35/57/1066483557.db2.gz NAYWGGGJHKOSOI-NRFANRHFSA-N 0 1 499.635 3.252 20 0 JGADMN COCCO[C@H](C)c1nnc(N2CCCN(Cc3ccc(F)cc3)CC2)n1C[C@H]1CCCO1 ZINC001302074193 1066486354 /nfs/dbraw/zinc/48/63/54/1066486354.db2.gz ZXVKHESTZJBQLU-DENIHFKCSA-N 0 1 461.582 3.033 20 0 JGADMN COCCO[C@@H](C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@H]1CC(F)(F)CO1 ZINC001302088769 1066515042 /nfs/dbraw/zinc/51/50/42/1066515042.db2.gz HDHNIJRMBDQOKF-SVFBPWRDSA-N 0 1 479.572 3.137 20 0 JGADMN COCCO[C@@H](C)c1nnc(N2CCN(Cc3ccccc3C)CC2)n1Cc1ncnn1C(C)(C)C ZINC001302090116 1066517156 /nfs/dbraw/zinc/51/71/56/1066517156.db2.gz SZBHHQWCYAMZHF-NRFANRHFSA-N 0 1 496.660 3.028 20 0 JGADMN COCCO[C@H](C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCCOC1 ZINC001302090445 1066517620 /nfs/dbraw/zinc/51/76/20/1066517620.db2.gz VHAKELVAQPLGGT-XPNTWCBSSA-N 0 1 457.619 3.139 20 0 JGADMN COCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001301652867 1066521470 /nfs/dbraw/zinc/52/14/70/1066521470.db2.gz NVHYTSNQBGVOBQ-IBGZPJMESA-N 0 1 464.010 3.096 20 0 JGADMN COCCO[C@H](C)c1nnc(N2CCN3CCCC[C@@H]3C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001302093555 1066521676 /nfs/dbraw/zinc/52/16/76/1066521676.db2.gz WLZFPGXEAXULNC-NJDAHSKKSA-N 0 1 494.681 3.226 20 0 JGADMN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)N[C@H](c2nn[nH]n2)c2ccccc2)C1 ZINC001301653178 1066521999 /nfs/dbraw/zinc/52/19/99/1066521999.db2.gz CGQIPBROVMUMNG-NJYVYQBISA-N 0 1 462.554 3.131 20 0 JGADMN CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)C1 ZINC001301653174 1066522097 /nfs/dbraw/zinc/52/20/97/1066522097.db2.gz CGQIPBROVMUMNG-NJDAHSKKSA-N 0 1 462.554 3.131 20 0 JGADMN Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N2CCN[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC001301667230 1066545191 /nfs/dbraw/zinc/54/51/91/1066545191.db2.gz CFJKQEQLJSCOMF-UYAOXDASSA-N 0 1 459.363 3.464 20 0 JGADMN COCCN(C)c1nnc(-c2cccc(Br)c2)n1CCCN1C[C@H](C)O[C@@H](C)C1 ZINC001301684445 1066568020 /nfs/dbraw/zinc/56/80/20/1066568020.db2.gz VUDZESXAYNKFRA-IRXDYDNUSA-N 0 1 466.424 3.290 20 0 JGADMN COCCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(N2CCOCC2)CCCCC1 ZINC001301685068 1066568707 /nfs/dbraw/zinc/56/87/07/1066568707.db2.gz UCUXVBJPHXFHHM-UHFFFAOYSA-N 0 1 473.618 3.080 20 0 JGADMN CC(=O)N1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001301704909 1066594306 /nfs/dbraw/zinc/59/43/06/1066594306.db2.gz XGWILSGHVWJXQE-QFIPXVFZSA-N 0 1 486.617 3.419 20 0 JGADMN COCCN(C)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001301707259 1066597848 /nfs/dbraw/zinc/59/78/48/1066597848.db2.gz XJVAMOIDTCKQRF-BGYRXZFFSA-N 0 1 454.619 3.252 20 0 JGADMN COCCN(C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001301713289 1066611591 /nfs/dbraw/zinc/61/15/91/1066611591.db2.gz KGWCFGBNYAARAB-KNQAVFIVSA-N 0 1 475.659 3.086 20 0 JGADMN COCCN(C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001301721055 1066625724 /nfs/dbraw/zinc/62/57/24/1066625724.db2.gz HTAVTDLDZIAVBA-KDURUIRLSA-N 0 1 460.648 3.056 20 0 JGADMN COCCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C(C)C)N2CCOCC2)C1 ZINC001302164986 1066626710 /nfs/dbraw/zinc/62/67/10/1066626710.db2.gz DKIRQMINNSCIHC-FGZHOGPDSA-N 0 1 478.037 3.197 20 0 JGADMN CN(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC001302170719 1066640338 /nfs/dbraw/zinc/64/03/38/1066640338.db2.gz DFJGXGKFFVACDU-IBGZPJMESA-N 0 1 456.395 3.467 20 0 JGADMN CC(C)(C)Cc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCN1CCN(Cc2ccccc2)CC1 ZINC001302173137 1066644015 /nfs/dbraw/zinc/64/40/15/1066644015.db2.gz QIBHELWQWOSRML-NRFANRHFSA-N 0 1 494.606 3.452 20 0 JGADMN CC(C)(C)Cc1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1CCC(=O)NC(C)(C)C ZINC001302176139 1066650569 /nfs/dbraw/zinc/65/05/69/1066650569.db2.gz LBSUJEHEJVAICJ-UHFFFAOYSA-N 0 1 490.615 3.263 20 0 JGADMN COCCN(c1nnc(C(=O)NC(C)C)n1Cc1cc(C)nc(N2CCCC2)c1)[C@H]1CC[C@@H](C)C1 ZINC001301740266 1066661243 /nfs/dbraw/zinc/66/12/43/1066661243.db2.gz ADKZTBWDEMEQTR-KNQAVFIVSA-N 0 1 483.661 3.410 20 0 JGADMN CC(C)(C)CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001302191163 1066673352 /nfs/dbraw/zinc/67/33/52/1066673352.db2.gz SQCYQMVZQXMDPC-UUWRZZSWSA-N 0 1 489.690 3.031 20 0 JGADMN CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001301750591 1066681197 /nfs/dbraw/zinc/68/11/97/1066681197.db2.gz VZSKSHRJSGXLOQ-QHCPKHFHSA-N 0 1 466.655 3.486 20 0 JGADMN CC(=O)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCCN2CCOCC2)CC1 ZINC001301757093 1066689638 /nfs/dbraw/zinc/68/96/38/1066689638.db2.gz OUWIJKREGAPCKQ-UHFFFAOYSA-N 0 1 493.077 3.005 20 0 JGADMN CC(C)(C)N1CCCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 ZINC001302199600 1066691576 /nfs/dbraw/zinc/69/15/76/1066691576.db2.gz GAEAGAYFUWRIFH-JOCHJYFZSA-N 0 1 489.686 3.098 20 0 JGADMN CC(C)(C)N1CCCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 ZINC001302199606 1066691619 /nfs/dbraw/zinc/69/16/19/1066691619.db2.gz GAEAGAYFUWRIFH-QFIPXVFZSA-N 0 1 489.686 3.098 20 0 JGADMN CC(C)(C)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccccc2F)CC1 ZINC001302203285 1066700083 /nfs/dbraw/zinc/70/00/83/1066700083.db2.gz MWPXYGQPOCXDEJ-UHFFFAOYSA-N 0 1 451.550 3.228 20 0 JGADMN CC(C)(C)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOc2ccc(F)cc2)CC1 ZINC001302204189 1066701451 /nfs/dbraw/zinc/70/14/51/1066701451.db2.gz YPVXMFKUHNLODS-UHFFFAOYSA-N 0 1 481.576 3.454 20 0 JGADMN CC(C)(C)NC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCSCC2)CC1 ZINC001302210221 1066709218 /nfs/dbraw/zinc/70/92/18/1066709218.db2.gz AHTFGVUEAVPWHE-UHFFFAOYSA-N 0 1 492.093 3.277 20 0 JGADMN COCCN(CC(C)C)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001301772604 1066716502 /nfs/dbraw/zinc/71/65/02/1066716502.db2.gz OLMIRXTUTBEKHY-NJDAHSKKSA-N 0 1 451.656 3.169 20 0 JGADMN CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CC=CCC3)n2CCCCN2CCOCC2)C1 ZINC001302221562 1066728113 /nfs/dbraw/zinc/72/81/13/1066728113.db2.gz FCGHMWVZMNVNHA-NRFANRHFSA-N 0 1 474.650 3.271 20 0 JGADMN CC(=O)Nc1cccc(Cn2c(Cc3csc(C)n3)nnc2N2CCN(C(C)C)CC2)c1 ZINC001301799192 1066751555 /nfs/dbraw/zinc/75/15/55/1066751555.db2.gz YXQRNCHLHSFARM-UHFFFAOYSA-N 0 1 453.616 3.171 20 0 JGADMN COc1cccc(C[C@@H]2CN(C(=O)c3cc(F)ccc3I)CCN2)c1 ZINC001301812714 1066767561 /nfs/dbraw/zinc/76/75/61/1066767561.db2.gz SRGANDQPSOKJFD-OAHLLOKOSA-N 0 1 454.283 3.096 20 0 JGADMN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C)o2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001302248507 1066781560 /nfs/dbraw/zinc/78/15/60/1066781560.db2.gz PINOFASIXCJOPN-IIZPIQPGSA-N 0 1 475.634 3.428 20 0 JGADMN CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001301826395 1066790254 /nfs/dbraw/zinc/79/02/54/1066790254.db2.gz DGVQVSRAYJTJRB-DNVFCKCGSA-N 0 1 486.636 3.001 20 0 JGADMN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cnc(C)s2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001302257677 1066802709 /nfs/dbraw/zinc/80/27/09/1066802709.db2.gz DSRCYOKUSWRCSX-REHHDOPLSA-N 0 1 492.690 3.291 20 0 JGADMN CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC34CCC[NH+](CCC3)C4)cc2)cc1 ZINC001301838805 1066810034 /nfs/dbraw/zinc/81/00/34/1066810034.db2.gz AMSMWOZJWIOWFV-UHFFFAOYSA-N 0 1 455.580 3.296 20 0 JGADMN CC(=O)NC1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001301844922 1066818508 /nfs/dbraw/zinc/81/85/08/1066818508.db2.gz MQIZTLYYMIXTRX-SFTDATJTSA-N 0 1 482.673 3.170 20 0 JGADMN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](OC)C(C)(C)C2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001302273959 1066835300 /nfs/dbraw/zinc/83/53/00/1066835300.db2.gz PORBWKICFDPULC-UVUJQTEASA-N 0 1 475.609 3.305 20 0 JGADMN CCc1csc(-n2cc(C(=O)Nc3n[nH]c(C)c3C(=O)Nc3ccccc3OC)cn2)n1 ZINC001302291131 1066870482 /nfs/dbraw/zinc/87/04/82/1066870482.db2.gz BQPOQRPONZITAA-UHFFFAOYSA-N 0 1 451.512 3.436 20 0 JGADMN COCCN1CCN(c2nnc(C(C)C)n2Cc2cccc(NC(=O)C3CCC3)c2)C[C@@H]1C ZINC001301874038 1066874263 /nfs/dbraw/zinc/87/42/63/1066874263.db2.gz FBVYFIMNOXHQTG-IBGZPJMESA-N 0 1 454.619 3.345 20 0 JGADMN COc1ccccc1NC(=O)c1c(C)[nH]nc1NC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC001302294118 1066874498 /nfs/dbraw/zinc/87/44/98/1066874498.db2.gz QODCUTUDTPRLFT-AWEZNQCLSA-N 0 1 455.515 3.175 20 0 JGADMN COCCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2CCOCC2)C[C@H]1C ZINC001301876837 1066878724 /nfs/dbraw/zinc/87/87/24/1066878724.db2.gz IJNLXINEYGPMRV-MOPGFXCFSA-N 0 1 461.582 3.141 20 0 JGADMN COCCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nccn2C(F)F)C[C@@H]1C ZINC001301876884 1066878927 /nfs/dbraw/zinc/87/89/27/1066878927.db2.gz IWEORVNPDQMIOI-DLBZAZTESA-N 0 1 493.534 3.354 20 0 JGADMN COCCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)c2ccccc2)C[C@@H]1C ZINC001301878535 1066882203 /nfs/dbraw/zinc/88/22/03/1066882203.db2.gz XXMMVVJUOSAEIQ-MCEYFSPLSA-N 0 1 471.646 3.279 20 0 JGADMN COCCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC(C)C)C[C@@H]1C ZINC001301881664 1066888337 /nfs/dbraw/zinc/88/83/37/1066888337.db2.gz GZRQBUWOKDPMBD-INIZCTEOSA-N 0 1 469.428 3.008 20 0 JGADMN COCCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2nccn2C(F)F)C[C@H]1C ZINC001301881392 1066888362 /nfs/dbraw/zinc/88/83/62/1066888362.db2.gz FNCQISKJLOPHKT-OAHLLOKOSA-N 0 1 497.497 3.343 20 0 JGADMN COCCN1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC(=O)NC(C)C)C[C@H]1C ZINC001301882075 1066889601 /nfs/dbraw/zinc/88/96/01/1066889601.db2.gz LBXNUGLMPZGOCK-MRXNPFEDSA-N 0 1 491.061 3.495 20 0 JGADMN COCCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2OCCC2(C)C)C[C@H]1C ZINC001301883000 1066890788 /nfs/dbraw/zinc/89/07/88/1066890788.db2.gz UDRSTYCNDWRORQ-APWZRJJASA-N 0 1 495.466 3.018 20 0 JGADMN COCCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC2(C)C)C[C@H]1C ZINC001301882733 1066890980 /nfs/dbraw/zinc/89/09/80/1066890980.db2.gz SQIMBTYTROPQMS-HZPDHXFCSA-N 0 1 465.440 3.249 20 0 JGADMN COCCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2OCCC2(C)C)C[C@@H]1C ZINC001301883001 1066891032 /nfs/dbraw/zinc/89/10/32/1066891032.db2.gz UDRSTYCNDWRORQ-LPHOPBHVSA-N 0 1 495.466 3.018 20 0 JGADMN COCCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2OCCC2(C)C)C[C@H]1C ZINC001301883003 1066891121 /nfs/dbraw/zinc/89/11/21/1066891121.db2.gz UDRSTYCNDWRORQ-VQIMIIECSA-N 0 1 495.466 3.018 20 0 JGADMN COCCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCCC2(C)C)C[C@H]1C ZINC001301883418 1066891609 /nfs/dbraw/zinc/89/16/09/1066891609.db2.gz WVEKBZYEGLYPHY-BCHFMIIMSA-N 0 1 487.645 3.060 20 0 JGADMN COCCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCCC2(C)C)C[C@H]1C ZINC001301883419 1066891761 /nfs/dbraw/zinc/89/17/61/1066891761.db2.gz WVEKBZYEGLYPHY-NIYFSFCBSA-N 0 1 487.645 3.060 20 0 JGADMN COCCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)OC)C[C@@H]1C ZINC001301884867 1066893551 /nfs/dbraw/zinc/89/35/51/1066893551.db2.gz FDCRUAHWVVABGO-INIZCTEOSA-N 0 1 466.424 3.290 20 0 JGADMN COCCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(CC(C)C)CC2)C[C@H]1C ZINC001301885281 1066893941 /nfs/dbraw/zinc/89/39/41/1066893941.db2.gz IANVRQUKKYHZLQ-HXUWFJFHSA-N 0 1 489.686 3.332 20 0 JGADMN COCCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(CC(C)C)CC2)C[C@@H]1C ZINC001301885280 1066893967 /nfs/dbraw/zinc/89/39/67/1066893967.db2.gz IANVRQUKKYHZLQ-FQEVSTJZSA-N 0 1 489.686 3.332 20 0 JGADMN CC(C)(C)OCCn1c([C@H]2CCCCO2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC001302308430 1066900267 /nfs/dbraw/zinc/90/02/67/1066900267.db2.gz DEIJJVUSDOQLOX-GOSISDBHSA-N 0 1 477.572 3.426 20 0 JGADMN 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CN1CCN(c2cccc(N3CCC(c4nc5ccc(-c6cccnc6)cn5n4)CC3)n2)CC1 ZINC001164957386 722049797 /nfs/dbraw/zinc/04/97/97/722049797.db2.gz JCFWVAYIFISTEY-UHFFFAOYSA-N 0 1 454.582 3.322 20 0 JGADMN Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164967024 722075373 /nfs/dbraw/zinc/07/53/73/722075373.db2.gz KBXVSVMFBKJQAV-BGYRXZFFSA-N 0 1 479.606 3.038 20 0 JGADMN CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CC(C(=O)NC4CCC4)C[C@H]3C2)c1CN1CC[C@H](CO)C1 ZINC001164972144 722085334 /nfs/dbraw/zinc/08/53/34/722085334.db2.gz LEZVBKFEJLIQSF-JBACZVJFSA-N 0 1 497.684 3.012 20 0 JGADMN COC(=O)C1CCN(c2nccnc2N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)CC1 ZINC001164994119 722204492 /nfs/dbraw/zinc/20/44/92/722204492.db2.gz GCZYBJUJLAVNKX-VWLOTQADSA-N 0 1 453.562 3.250 20 0 JGADMN COC(=O)C1CCN(c2nccnc2N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)CC1 ZINC001164994117 722204542 /nfs/dbraw/zinc/20/45/42/722204542.db2.gz GCZYBJUJLAVNKX-RUZDIDTESA-N 0 1 453.562 3.250 20 0 JGADMN