smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CN(Cc2nc(-c3ccccc3)oc2C)C(=O)NC(C)C)cc1 ZINC000015774334 210169818 /nfs/dbraw/zinc/16/98/18/210169818.db2.gz QADDUBBZOUMINA-UHFFFAOYSA-N 0 0 393.487 4.779 10 0 GJAERN COc1ccc(O)c(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c1 ZINC000004659501 209506334 /nfs/dbraw/zinc/50/63/34/209506334.db2.gz GKEFJOFITVGIMA-NTEUORMPSA-N 0 0 384.435 4.579 10 0 GJAERN CCOc1ccc([C@H]2C[C@H](c3cccc(Br)c3)n3ncnc3N2)cc1 ZINC000002471942 209366062 /nfs/dbraw/zinc/36/60/62/209366062.db2.gz NAJRNCBWIZWGEZ-QZTJIDSGSA-N 0 0 399.292 4.586 10 0 GJAERN Cc1cc(C(=O)Nc2ccc(Br)cc2)nn1Cc1ccc(C)cc1 ZINC000001324174 209319777 /nfs/dbraw/zinc/31/97/77/209319777.db2.gz ISWBJEGHXZRLFP-UHFFFAOYSA-N 0 0 384.277 4.563 10 0 GJAERN COc1ccc(C(=O)Nc2sc(Br)nc2-c2ccccc2)cc1 ZINC000032500056 209192053 /nfs/dbraw/zinc/19/20/53/209192053.db2.gz CHXAZYJUZKUISC-UHFFFAOYSA-N 0 0 389.274 4.834 10 0 GJAERN CC(C)(C)OC(=O)n1cc(I)c2cc(Cl)ccc21 ZINC000261507418 212031051 /nfs/dbraw/zinc/03/10/51/212031051.db2.gz IFXSVMIDWRADFG-UHFFFAOYSA-N 0 0 377.609 4.683 10 0 GJAERN CCOC(=O)c1sc2ncnc(Nc3ccc(Br)cc3)c2c1C ZINC000000957761 203867638 /nfs/dbraw/zinc/86/76/38/203867638.db2.gz HMJVJGVTWXNGGR-UHFFFAOYSA-N 0 0 392.278 4.683 10 0 GJAERN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C=Cc1cccc(Cl)c1 ZINC000001961978 203923198 /nfs/dbraw/zinc/92/31/98/203923198.db2.gz DBJOVKUUPXSSNG-CMDGGOBGSA-N 0 0 391.876 4.741 10 0 GJAERN O=C(NC1CCCCCC1)[C@@H]1c2ccccc2C(=O)N1CCC1=CCCCC1 ZINC000004894355 204087320 /nfs/dbraw/zinc/08/73/20/204087320.db2.gz JGCMBXQMQHUUCF-QFIPXVFZSA-N 0 0 380.532 4.913 10 0 GJAERN CCN(CC)C(=O)c1cc(NC(=O)c2ccc3ccccc3c2)ccc1N(C)C ZINC000004630614 204059562 /nfs/dbraw/zinc/05/95/62/204059562.db2.gz GXSPLPMQWBKFBI-UHFFFAOYSA-N 0 0 389.499 4.640 10 0 GJAERN CN(C)c1ccc([C@H]2C[C@@H](N3CCCC3=O)Oc3ccc4ccccc4c32)cc1 ZINC000005328730 204125723 /nfs/dbraw/zinc/12/57/23/204125723.db2.gz ZTFGNJVMLAXDNH-QPPBQGQZSA-N 0 0 386.495 4.769 10 0 GJAERN CCn1cccc1Cn1nc(NC(=O)c2cccc(Cl)c2C)sc1=S ZINC000334161490 209178925 /nfs/dbraw/zinc/17/89/25/209178925.db2.gz BHKSTJHOEUCHRK-UHFFFAOYSA-N 0 0 392.937 4.758 10 0 GJAERN CC(=O)Nc1ccc(N(Cc2nc3ccccc3[nH]2)C(=O)C2CCCCC2)cc1 ZINC000005481031 204134726 /nfs/dbraw/zinc/13/47/26/204134726.db2.gz FQCBUDOPUJHKGM-UHFFFAOYSA-N 0 0 390.487 4.635 10 0 GJAERN CCOC(=O)c1cnc2cc(-c3ccc(OCC)cc3)nn2c1-c1ccccc1 ZINC000006857898 204216624 /nfs/dbraw/zinc/21/66/24/204216624.db2.gz FWDSQBOLNDITKX-UHFFFAOYSA-N 0 0 387.439 4.639 10 0 GJAERN COc1ccc(F)c(-c2nc(CN(C)[C@H](C)c3nc(C)cs3)c(C)o2)c1 ZINC000012031576 204366918 /nfs/dbraw/zinc/36/69/18/204366918.db2.gz OUKXMYPHPPUMBI-GFCCVEGCSA-N 0 0 375.469 4.756 10 0 GJAERN Cc1c(C(=O)OCC(C)C)sc2ncnc(Nc3ccc(N(C)C)cc3)c12 ZINC000012084718 204369965 /nfs/dbraw/zinc/36/99/65/204369965.db2.gz BWGURSILZCCPMG-UHFFFAOYSA-N 0 0 384.505 4.622 10 0 GJAERN Cc1ccc(C(=O)N2CCC(n3c4ccccc4nc3[C@@H]3CCCO3)CC2)s1 ZINC000014995725 204554015 /nfs/dbraw/zinc/55/40/15/204554015.db2.gz ZHNXOZQCBQUULT-IBGZPJMESA-N 0 0 395.528 4.735 10 0 GJAERN CC1(C)CO[C@]2(CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](CC[C@@H]5O)[C@H]4CC[C@H]3C2)N1O ZINC000253598137 211993570 /nfs/dbraw/zinc/99/35/70/211993570.db2.gz CEGKCAAZUMATHD-VNIMTMKESA-N 0 0 377.569 4.586 10 0 GJAERN O=C(/C=C\c1cccc(Cl)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000033307110 204958310 /nfs/dbraw/zinc/95/83/10/204958310.db2.gz HCYBZCNHUBJKLP-FPLPWBNLSA-N 0 0 394.824 4.721 10 0 GJAERN CC(C)CNC(=O)c1coc(CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)n1 ZINC000036083158 205003430 /nfs/dbraw/zinc/00/34/30/205003430.db2.gz YCYQOIMOMCJVLK-UHFFFAOYSA-N 0 0 396.318 4.532 10 0 GJAERN CCCN(C(=O)c1ccccc1)[C@@H](C(=O)NC1CCCCC1)C1CCCCC1 ZINC000036573215 205018272 /nfs/dbraw/zinc/01/82/72/205018272.db2.gz HUPPCPXEPRZWSG-JOCHJYFZSA-N 0 0 384.564 4.937 10 0 GJAERN CCNC(=O)CCc1c(C)nn(-c2ccccc2C)c1Oc1ccc(C)cc1 ZINC000037547312 205028415 /nfs/dbraw/zinc/02/84/15/205028415.db2.gz WXFPXZQPWHFOHQ-UHFFFAOYSA-N 0 0 377.488 4.659 10 0 GJAERN CC[C@H](C)NC(=O)[C@H]1CC[C@H](c2ccc(F)c(C)c2)N(C(=O)C2CCCC2)C1 ZINC000037614014 205030263 /nfs/dbraw/zinc/03/02/63/205030263.db2.gz GDXKIKXQNSYHNN-NBHGPNQESA-N 0 0 388.527 4.519 10 0 GJAERN COc1ccc(Nc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2N)cc1 ZINC000040782615 205072408 /nfs/dbraw/zinc/07/24/08/205072408.db2.gz VFNWZPXSLDGNKU-UHFFFAOYSA-N 0 0 375.354 4.573 10 0 GJAERN Nc1c(Nc2cccc(Br)c2)ncnc1Nc1ccc(F)c(F)c1 ZINC000040797333 205073339 /nfs/dbraw/zinc/07/33/39/205073339.db2.gz OTCLIJDPSABKDW-UHFFFAOYSA-N 0 0 392.207 4.587 10 0 GJAERN COC(=O)c1cccc(Nc2nc3ccccc3c(NC3CCCCC3)n2)c1 ZINC000041152659 205078167 /nfs/dbraw/zinc/07/81/67/205078167.db2.gz VRULEIQEFUWLHT-UHFFFAOYSA-N 0 0 376.460 4.905 10 0 GJAERN Cc1ccc(NC(=O)CCn2cnc(-c3ccccc3)c2[C@H]2CCOC2)c(C)c1 ZINC000065500098 205235811 /nfs/dbraw/zinc/23/58/11/205235811.db2.gz QWTIZCFKZMBOCV-FQEVSTJZSA-N 0 0 389.499 4.700 10 0 GJAERN Cc1ccc(NC(=O)CCn2cnc(-c3ccccc3)c2[C@@H]2CCOC2)c(C)c1 ZINC000065500093 205236338 /nfs/dbraw/zinc/23/63/38/205236338.db2.gz QWTIZCFKZMBOCV-HXUWFJFHSA-N 0 0 389.499 4.700 10 0 GJAERN Cc1ccsc1-c1nc(CN(C)Cc2nc(-c3ccccc3)no2)c(C)o1 ZINC000067713040 205256832 /nfs/dbraw/zinc/25/68/32/205256832.db2.gz DOKGSHUVAILBQV-UHFFFAOYSA-N 0 0 380.473 4.702 10 0 GJAERN Cc1nn(Cc2cccc(Cl)c2)cc1C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000097227616 205588167 /nfs/dbraw/zinc/58/81/67/205588167.db2.gz LBGIKZDNJIECTE-UHFFFAOYSA-N 0 0 394.784 4.559 10 0 GJAERN O=C(c1ccc(I)cc1)[C@H](c1ccccc1)c1ccccn1 ZINC000169333179 211636655 /nfs/dbraw/zinc/63/66/55/211636655.db2.gz DTPQFAMOPLMPQM-GOSISDBHSA-N 0 0 399.231 4.701 10 0 GJAERN Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4cncnc4)cc23)c1F ZINC000165310388 211625104 /nfs/dbraw/zinc/62/51/04/211625104.db2.gz OUGPQBUILCCBPB-UHFFFAOYSA-N 0 0 375.338 4.620 10 0 GJAERN Cc1cc(C)cc(NC(=O)N2CC[C@@H](c3nc4ccncc4n3C(C)C)C2)c1 ZINC000096125276 211303782 /nfs/dbraw/zinc/30/37/82/211303782.db2.gz JISVMAOACKKZSL-QGZVFWFLSA-N 0 0 377.492 4.650 10 0 GJAERN Cc1cc2[nH]c(-c3ccc(Br)cc3)nc2c(Br)c1N ZINC000078400730 211147011 /nfs/dbraw/zinc/14/70/11/211147011.db2.gz RFZKIDZQOJEDLQ-UHFFFAOYSA-N 0 0 381.071 4.646 10 0 GJAERN COc1ccc2nc(NC(=O)/C=C/c3ccc(OC(C)C)c(OC)c3)sc2c1 ZINC000040882038 210795860 /nfs/dbraw/zinc/79/58/60/210795860.db2.gz JJJCFANIFPWGOK-UXBLZVDNSA-N 0 0 398.484 4.753 10 0 GJAERN Nc1c(-c2ccc(Cl)cc2)cnc2nc(SC/C=C\c3ccccc3)nn21 ZINC000033916745 210653112 /nfs/dbraw/zinc/65/31/12/210653112.db2.gz GEIVCNNEVZTGTC-DAXSKMNVSA-N 0 0 393.903 4.832 10 0 GJAERN CCCn1c2nnc(SCc3ccc(Cl)cc3)n2c2ccc(C)cc2c1=O ZINC000033256486 210632295 /nfs/dbraw/zinc/63/22/95/210632295.db2.gz PTIDUZPRAOPILW-UHFFFAOYSA-N 0 0 398.919 4.708 10 0 GJAERN Cc1cc(NC(=O)Cc2c3ccccc3[nH]c2Sc2cccc(F)c2)no1 ZINC000033116300 210625226 /nfs/dbraw/zinc/62/52/26/210625226.db2.gz SLFXOVJGKBHFEH-UHFFFAOYSA-N 0 0 381.432 4.936 10 0 GJAERN C[C@H](Nc1ccc(Sc2nc[nH]n2)cc1)c1ccc(Br)s1 ZINC000038003005 210407147 /nfs/dbraw/zinc/40/71/47/210407147.db2.gz RRUAAQIIDCCKRY-VIFPVBQESA-N 0 0 381.324 4.953 10 0 GJAERN Cc1ccc(CCC(=O)Nc2ccc3c(c2)CN(Cc2nccs2)CC3)cc1 ZINC000019835551 210302285 /nfs/dbraw/zinc/30/22/85/210302285.db2.gz IXRCWRCRIAJYOI-UHFFFAOYSA-N 0 0 391.540 4.581 10 0 GJAERN COc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1 ZINC000008287059 221035335 /nfs/dbraw/zinc/03/53/35/221035335.db2.gz GOVIJOXNWZYSLG-UHFFFAOYSA-N 0 0 391.084 4.534 10 0 GJAERN CCCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)OCc2ccccc2)[C@@H](C)C1 ZINC000073657186 521432473 /nfs/dbraw/zinc/43/24/73/521432473.db2.gz NTCLZCXIGYCTOY-HKUYNNGSSA-N 0 0 390.524 4.823 10 0 GJAERN Cc1cccc(Cl)c1NC(=O)/C=C/c1c2c(ccc1Br)OCO2 ZINC000048545710 570251168 /nfs/dbraw/zinc/25/11/68/570251168.db2.gz YQCLNVCEPZDQTO-VMPITWQZSA-N 0 0 394.652 4.792 10 0 GJAERN Cc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=CC(Cl)=CN21 ZINC000002050280 570272722 /nfs/dbraw/zinc/27/27/22/570272722.db2.gz MEXVCVXQRYIIFV-UHFFFAOYSA-N 0 0 393.718 4.927 10 0 GJAERN O=Cc1ccc2c(c1)OCCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000725260576 570309983 /nfs/dbraw/zinc/30/99/83/570309983.db2.gz SVVQCARKLITOGH-UHFFFAOYSA-N 0 0 399.446 4.643 10 0 GJAERN O=C(NCc1ccc(Br)cc1)c1cncc(-c2ccc(F)cc2)c1 ZINC000035514610 570389265 /nfs/dbraw/zinc/38/92/65/570389265.db2.gz YTSORJCQZLXBFN-UHFFFAOYSA-N 0 0 385.236 4.580 10 0 GJAERN C[C@@H](c1ccc(F)cc1)N(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 ZINC000036246598 570397924 /nfs/dbraw/zinc/39/79/24/570397924.db2.gz GTRFWLCUJFJMSH-HNNXBMFYSA-N 0 0 399.443 4.511 10 0 GJAERN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](OCCOc2ccccc2)C1 ZINC000036315681 570613288 /nfs/dbraw/zinc/61/32/88/570613288.db2.gz WPZRRPZFVOYWKE-KRWDZBQOSA-N 0 0 394.298 4.694 10 0 GJAERN Cc1ccc(NC(=O)CSc2nccc(N3CCCCCC3)n2)c(Cl)c1 ZINC000065151245 570714134 /nfs/dbraw/zinc/71/41/34/570714134.db2.gz HJTPDNRUKWYEEK-UHFFFAOYSA-N 0 0 390.940 4.550 10 0 GJAERN CC1(C)CO[C@]2(CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](O)CC[C@@H]5[C@H]4CC[C@H]3C2)N1O ZINC000253598135 570735071 /nfs/dbraw/zinc/73/50/71/570735071.db2.gz CEGKCAAZUMATHD-JRBQEGLLSA-N 0 0 377.569 4.586 10 0 GJAERN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1CCC(=O)NC(C)C ZINC000037547219 571030072 /nfs/dbraw/zinc/03/00/72/571030072.db2.gz SHKUBLKLOFOGDD-UHFFFAOYSA-N 0 0 399.441 4.708 10 0 GJAERN O=C(Nc1ccccc1)c1cc(Cl)cc(Cl)c1I ZINC000016027042 210183920 /nfs/dbraw/zinc/18/39/20/210183920.db2.gz VHYXOQKMLMEFMK-UHFFFAOYSA-N 0 0 392.023 4.850 10 0 GJAERN COC(CSc1cc(C(F)(F)F)nc2ccc(Br)cc21)OC ZINC000015042780 210145073 /nfs/dbraw/zinc/14/50/73/210145073.db2.gz XIMWOTLKOGQPOX-UHFFFAOYSA-N 0 0 396.228 4.727 10 0 GJAERN COC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C)c1-c1ccccc1 ZINC000001973837 209343321 /nfs/dbraw/zinc/34/33/21/209343321.db2.gz BHUBDLZFSBNIAW-UHFFFAOYSA-N 0 0 381.453 4.771 10 0 GJAERN O=c1[nH]cnc2c1nc(-c1ccc(Cl)cc1Cl)n2-c1ccc(Cl)cc1 ZINC000090487652 209236517 /nfs/dbraw/zinc/23/65/17/209236517.db2.gz OMWNHSMRUOTAJC-UHFFFAOYSA-N 0 0 391.645 4.736 10 0 GJAERN O=C(COc1ccc(Cl)cc1)[C@@H]1CSc2ccc(Br)cc21 ZINC000005120887 209232270 /nfs/dbraw/zinc/23/22/70/209232270.db2.gz DXTLQJCSXHZWHL-CQSZACIVSA-N 0 0 383.694 4.940 10 0 GJAERN Cc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)N3CCCCC3)c2c1 ZINC000001367626 209227372 /nfs/dbraw/zinc/22/73/72/209227372.db2.gz CNOPBQNFVSPSEL-UHFFFAOYSA-N 0 0 395.503 4.849 10 0 GJAERN Cc1cc(CCCCCOc2c(Cl)cc(C3=NCCO3)cc2Cl)on1 ZINC000001530455 209226885 /nfs/dbraw/zinc/22/68/85/209226885.db2.gz JJDHAOLOHQTGMG-UHFFFAOYSA-N 0 0 383.275 4.858 10 0 in-vivo GJAERN Cc1cccc2cc(CN(C(=O)c3cnccn3)C3CCCCC3)c(Cl)nc12 ZINC000001367585 203904330 /nfs/dbraw/zinc/90/43/30/203904330.db2.gz YBIKBCQYUYQEOX-UHFFFAOYSA-N 0 0 394.906 4.962 10 0 GJAERN CCOc1ccc([C@H]2C[C@H](c3ccc(C(C)C)cc3)n3nc(N)nc3N2)cc1 ZINC000002472406 203946051 /nfs/dbraw/zinc/94/60/51/203946051.db2.gz KDGZHLXYAWIMHA-WOJBJXKFSA-N 0 0 377.492 4.529 10 0 GJAERN COCCCN(C(=S)Nc1cc(Cl)ccc1C)[C@H](C)c1ccncc1 ZINC000003036550 203982157 /nfs/dbraw/zinc/98/21/57/203982157.db2.gz HXNOAWDKQYTRMV-OAHLLOKOSA-N 0 0 377.941 4.840 10 0 GJAERN C[C@H]1N=C(c2cccc(C3=N[C@H](C)[C@H](c4ccccc4)O3)n2)O[C@@H]1c1ccccc1 ZINC000004979039 204099390 /nfs/dbraw/zinc/09/93/90/204099390.db2.gz WAQJMWVRZVOTCH-UOGRCSNTSA-N 0 0 397.478 4.895 10 0 GJAERN COC(=O)c1cc(Br)ccc1NC(=O)Nc1cccc(Cl)c1 ZINC000005660522 204145102 /nfs/dbraw/zinc/14/51/02/204145102.db2.gz OJATVKUUDJKOCK-UHFFFAOYSA-N 0 0 383.629 4.533 10 0 GJAERN CC[C@@H](C(=O)Nc1ccccc1F)n1c(C(=O)OC)cc2oc3ccccc3c21 ZINC000006750314 204199932 /nfs/dbraw/zinc/19/99/32/204199932.db2.gz PZBDXECXHMYINA-INIZCTEOSA-N 0 0 394.402 4.903 10 0 GJAERN Cc1ccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1F ZINC000010236843 204332752 /nfs/dbraw/zinc/33/27/52/204332752.db2.gz QXMONTPHYQHKBI-UHFFFAOYSA-N 0 0 383.423 4.831 10 0 GJAERN CC(C)N(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000011095884 204342972 /nfs/dbraw/zinc/34/29/72/204342972.db2.gz QITCBGMGDZOZNT-UHFFFAOYSA-N 0 0 398.934 4.629 10 0 GJAERN CCn1nnc(COc2ccc(Cl)cc2)c1SCC(=O)c1ccccc1 ZINC000334163032 209177418 /nfs/dbraw/zinc/17/74/18/209177418.db2.gz UURBQKYLCDUPFW-UHFFFAOYSA-N 0 0 387.892 4.505 10 0 GJAERN Cc1ccc(CNC(=O)c2ccc(N3CCSc4ncccc43)s2)cc1 ZINC000015769714 204575815 /nfs/dbraw/zinc/57/58/15/204575815.db2.gz QWJGXGRCWPKEJK-UHFFFAOYSA-N 0 0 381.526 4.625 10 0 GJAERN CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccccc2)Cc2ccccc2F)n1 ZINC000036073068 205003460 /nfs/dbraw/zinc/00/34/60/205003460.db2.gz OJIDOBNZVNFNSP-QGZVFWFLSA-N 0 0 395.478 4.544 10 0 GJAERN COc1cccc(S(=O)(=O)N(c2ccccc2)[C@H](C)c2ccc(C)cc2)c1 ZINC000036248613 205009488 /nfs/dbraw/zinc/00/94/88/205009488.db2.gz XLQYOWLRGGUVBY-GOSISDBHSA-N 0 0 381.497 4.960 10 0 GJAERN O=C(Nc1cc(F)ccc1F)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000035429941 204989352 /nfs/dbraw/zinc/98/93/52/204989352.db2.gz VEVUXLACDFROGM-UHFFFAOYSA-N 0 0 376.366 4.904 10 0 GJAERN Cc1cc(Oc2ccc3c(c2)OCO3)nc(SCc2cc(F)cc(F)c2)n1 ZINC000037510904 205027517 /nfs/dbraw/zinc/02/75/17/205027517.db2.gz XXXGCDONSDEKFU-UHFFFAOYSA-N 0 0 388.395 4.877 10 0 GJAERN Nc1c(NCc2ccc(F)cc2)ncnc1Nc1ccc(Cl)cc1Cl ZINC000040783327 205072046 /nfs/dbraw/zinc/07/20/46/205072046.db2.gz HMZUHQHPKXOQTL-UHFFFAOYSA-N 0 0 378.238 4.860 10 0 GJAERN Nc1c(Nc2nccs2)ncnc1Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000040780909 205073211 /nfs/dbraw/zinc/07/32/11/205073211.db2.gz KCPIYYCYIKTFGF-UHFFFAOYSA-N 0 0 386.790 4.675 10 0 GJAERN O=C(N1CCC[C@H](c2ccnc(Nc3ccccc3)n2)C1)C1(c2ccccc2)CC1 ZINC000065147888 205212559 /nfs/dbraw/zinc/21/25/59/205212559.db2.gz KYZKGYNKDCNYET-IBGZPJMESA-N 0 0 398.510 4.658 10 0 GJAERN CCc1c(C)sc(NC(=O)/C=C\c2c(Cl)cccc2Cl)c1C(N)=O ZINC000096504537 205568334 /nfs/dbraw/zinc/56/83/34/205568334.db2.gz FAXNWOXNEVUELZ-FPLPWBNLSA-N 0 0 383.300 4.677 10 0 GJAERN Cc1cc(F)ccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000098178402 205602033 /nfs/dbraw/zinc/60/20/33/205602033.db2.gz AHBVODBCQCDZKU-QGZVFWFLSA-N 0 0 394.487 4.663 10 0 GJAERN COc1ccc(-c2csc3ncnc(N4CCO[C@@H]5CCCC[C@H]54)c23)cc1 ZINC000230167982 206112532 /nfs/dbraw/zinc/11/25/32/206112532.db2.gz BNCBDHOZSCUXRX-QZTJIDSGSA-N 0 0 381.501 4.515 10 0 GJAERN C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C[C@@H](O)C2=O ZINC000065734668 206225977 /nfs/dbraw/zinc/22/59/77/206225977.db2.gz SUPOXPOBSXUHRG-ABMICEGHSA-N 0 0 376.496 4.662 10 0 in-vitro GJAERN Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3C)n2-c2ncccn2)cc1C ZINC000096062673 211299258 /nfs/dbraw/zinc/29/92/58/211299258.db2.gz GXCCQELUSZYVCO-UHFFFAOYSA-N 0 0 395.466 4.781 10 0 GJAERN CC(C)(C)OC(=O)N1CCC[C@H](CCCOc2cccc(Br)n2)C1 ZINC000095085012 211218350 /nfs/dbraw/zinc/21/83/50/211218350.db2.gz SZFNQLXRSYJQOK-CQSZACIVSA-N 0 0 399.329 4.650 10 0 GJAERN COc1ccc(Nc2nc(-c3cccnc3)nc3sc(C)cc32)c(OC)c1 ZINC000072260886 211083854 /nfs/dbraw/zinc/08/38/54/211083854.db2.gz ZIPXEOXSKAQWPE-UHFFFAOYSA-N 0 0 378.457 4.823 10 0 GJAERN C[C@H](Oc1ccc(I)cc1)C(=O)c1cccc(Cl)c1 ZINC000070133354 211040500 /nfs/dbraw/zinc/04/05/00/211040500.db2.gz AICZNMIVKUTRQJ-JTQLQIEISA-N 0 0 386.616 4.595 10 0 GJAERN C[C@H](NCc1c[nH]nc1-c1cc2ccccc2o1)c1nc(-c2ccccc2)no1 ZINC000020781924 210361436 /nfs/dbraw/zinc/36/14/36/210361436.db2.gz VUHYEQPWXWHVKU-AWEZNQCLSA-N 0 0 385.427 4.724 10 0 GJAERN Cc1cc(NC(=O)c2ccccc2)ccc1N1C(=O)c2ccc(Cl)cc2C1=O ZINC000000732494 220456108 /nfs/dbraw/zinc/45/61/08/220456108.db2.gz CDCRZJKOUJYAFH-UHFFFAOYSA-N 0 0 390.826 4.701 10 0 GJAERN O=C(NC[C@H]1Cc2cc(-c3cccnc3)cc(F)c2O1)c1ccc2ccccc2c1 ZINC000012099754 221151299 /nfs/dbraw/zinc/15/12/99/221151299.db2.gz RVWBIYWORDDQQY-JOCHJYFZSA-N 0 0 398.437 4.774 10 0 GJAERN Cc1ncc(-c2ccc(C)c(S(=O)(=O)N(Cc3ccccc3)C(C)C)c2)o1 ZINC000015777613 221345048 /nfs/dbraw/zinc/34/50/48/221345048.db2.gz JNEOLYVFUAKIBS-UHFFFAOYSA-N 0 0 384.501 4.558 10 0 GJAERN O=C(NCCC1=CCCCC1)c1csc(-c2ccnc(N3CCCCC3)c2)n1 ZINC000064675976 136157454 /nfs/dbraw/zinc/15/74/54/136157454.db2.gz BMMNBBSMHQKOJZ-UHFFFAOYSA-N 0 0 396.560 4.816 10 0 GJAERN CCCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H](C)C1 ZINC000073657183 521431555 /nfs/dbraw/zinc/43/15/55/521431555.db2.gz NTCLZCXIGYCTOY-PKOBYXMFSA-N 0 0 390.524 4.823 10 0 GJAERN COc1ccc(Nc2nc(Cl)c3c(n2)CCN(Cc2ccccc2)C3)cc1F ZINC000057343733 524718697 /nfs/dbraw/zinc/71/86/97/524718697.db2.gz OLQDPZKUTAMABO-UHFFFAOYSA-N 0 0 398.869 4.580 10 0 GJAERN Fc1ccc(CN[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000020988496 570273198 /nfs/dbraw/zinc/27/31/98/570273198.db2.gz ZYKRJNIATLYSKW-FQEVSTJZSA-N 0 0 377.394 4.894 10 0 GJAERN O=Cc1cccc2c1CN(C(=O)OCC1c3ccccc3-c3ccccc31)CCO2 ZINC000725260604 570310058 /nfs/dbraw/zinc/31/00/58/570310058.db2.gz UGRIUPUGPZPSQP-UHFFFAOYSA-N 0 0 399.446 4.643 10 0 GJAERN S=C(NCCc1ccccc1)N(Cc1ccc(Cl)cc1)Cc1cccnc1 ZINC000005899657 570461066 /nfs/dbraw/zinc/46/10/66/570461066.db2.gz IEKPHOHZQRJCEI-UHFFFAOYSA-N 0 0 395.959 4.854 10 0 GJAERN COc1ccccc1NC(=S)N(Cc1cccnc1)Cc1ccccc1F ZINC000006298587 570476256 /nfs/dbraw/zinc/47/62/56/570476256.db2.gz YNCZFYIZNTXOSB-UHFFFAOYSA-N 0 0 381.476 4.629 10 0 GJAERN S=C(NC[C@H]1CCCO1)N(Cc1ccco1)Cc1ccc(Cl)cc1Cl ZINC000006526980 570482678 /nfs/dbraw/zinc/48/26/78/570482678.db2.gz XKZQXFYOKDVBGY-OAHLLOKOSA-N 0 0 399.343 4.642 10 0 GJAERN O[C@@H](C[C@H]1c2ccccc2-c2cncn21)C1CCC(OCc2ccccc2)CC1 ZINC000207679402 570565292 /nfs/dbraw/zinc/56/52/92/570565292.db2.gz BGZYLMZZDLEDEY-DAEVLTMZSA-N 0 0 388.511 4.980 10 0 GJAERN CC(C)c1[nH]nc(I)c1-c1ccc(Br)cc1 ZINC000675076783 570910603 /nfs/dbraw/zinc/91/06/03/570910603.db2.gz QVJOYGZKUFFIJS-UHFFFAOYSA-N 0 0 391.050 4.567 10 0 GJAERN CC(=O)c1c(OC(=O)c2ccc(C(C)(C)C)cc2)ccc2c(C)cc(=O)oc21 ZINC000005724680 209611612 /nfs/dbraw/zinc/61/16/12/209611612.db2.gz BQRDWQUSOFPBNN-UHFFFAOYSA-N 0 0 378.424 4.821 10 0 GJAERN COC(=O)c1c(NC(=O)/C=C/c2cccc(Cl)c2)sc2c1CC[C@H](C)C2 ZINC000001909255 209342353 /nfs/dbraw/zinc/34/23/53/209342353.db2.gz NHQXAGKARWMHNJ-CRALRDPISA-N 0 0 389.904 4.965 10 0 GJAERN Cc1cccc2cc(/C=C3/N=C(c4ccccc4)OC3=O)c(N3CCCCC3)nc12 ZINC000001825184 209340090 /nfs/dbraw/zinc/34/00/90/209340090.db2.gz IFDSKEJBEWWOKW-LTGZKZEYSA-N 0 0 397.478 4.878 10 0 GJAERN O=C(CNc1cccc(OCc2ccccc2)c1)Nc1ccc2cnccc2c1 ZINC000090636091 209237817 /nfs/dbraw/zinc/23/78/17/209237817.db2.gz WNFRSYHKBMDMLO-UHFFFAOYSA-N 0 0 383.451 4.864 10 0 investigational GJAERN Cc1cccc(C(C)C)c1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000014739389 203793951 /nfs/dbraw/zinc/79/39/51/203793951.db2.gz YYUUBOSUKNDZGY-UHFFFAOYSA-N 0 0 382.479 4.748 10 0 GJAERN CCOc1ccc(OCC)c(-n2cc(-c3ccc4c(c3)OCO4)[nH]c2=S)c1 ZINC000002957831 203977146 /nfs/dbraw/zinc/97/71/46/203977146.db2.gz PVLUYNZNKDMXNK-UHFFFAOYSA-N 0 0 384.457 4.728 10 0 GJAERN COc1ccc(N2N=C(C(C)=O)N(c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000004543741 204051305 /nfs/dbraw/zinc/05/13/05/204051305.db2.gz GLRBMPAFWYGYJS-XMMPIXPASA-N 0 0 385.467 4.932 10 0 GJAERN CCCC1=Nc2cc(C(=O)N3CCOCC3)ccc2Sc2ccc(C)cc21 ZINC000004930365 204092797 /nfs/dbraw/zinc/09/27/97/204092797.db2.gz MGAZUQXJWIHFKD-UHFFFAOYSA-N 0 0 380.513 4.853 10 0 GJAERN O=C(/C=C\c1ccc(F)cc1)Nc1nc2ccc(Br)cc2s1 ZINC000006132659 204167235 /nfs/dbraw/zinc/16/72/35/204167235.db2.gz ZQUUOMBDZLLJTN-BAQGIRSFSA-N 0 0 377.238 4.850 10 0 GJAERN Cc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1 ZINC000008286815 204269011 /nfs/dbraw/zinc/26/90/11/204269011.db2.gz RFSNQNDJWNQUMA-UHFFFAOYSA-N 0 0 375.085 4.834 10 0 GJAERN Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccc(OC(C)C)cc1 ZINC000008569159 204279102 /nfs/dbraw/zinc/27/91/02/204279102.db2.gz SKULVBJXTMBUMT-UHFFFAOYSA-N 0 0 392.293 4.871 10 0 GJAERN Cc1ncc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(O)c2)s1 ZINC000019720998 204678183 /nfs/dbraw/zinc/67/81/83/204678183.db2.gz IAGBAMRTPZJTCE-JOCHJYFZSA-N 0 0 375.497 4.786 10 0 GJAERN C[C@H](Nc1ccccc1S(=O)(=O)C(F)F)c1ccc(Br)s1 ZINC000038002965 204775962 /nfs/dbraw/zinc/77/59/62/204775962.db2.gz UIBIOOPVQKRUFM-QMMMGPOBSA-N 0 0 396.278 4.680 10 0 GJAERN Cc1cccc(C[NH+]2CCC(CNc3cc(C(=O)[O-])c4ccccc4n3)CC2)c1 ZINC000021715322 204762374 /nfs/dbraw/zinc/76/23/74/204762374.db2.gz LZBCUWBGRDMVND-UHFFFAOYSA-N 0 0 389.499 4.566 10 0 GJAERN COc1cc(CN2CCCn3cccc3[C@H]2c2cccc(F)c2F)cc(OC)c1 ZINC000037522502 205027176 /nfs/dbraw/zinc/02/71/76/205027176.db2.gz DHRWBBOPIFOITP-HSZRJFAPSA-N 0 0 398.453 4.779 10 0 GJAERN COc1cc(OC)c(Nc2ncnc(Nc3ccc(C)cc3)c2N)cc1Cl ZINC000040782081 205072822 /nfs/dbraw/zinc/07/28/22/205072822.db2.gz XYYRDSWAKOIYSC-UHFFFAOYSA-N 0 0 385.855 4.525 10 0 GJAERN Nc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1Nc1ccc(F)c(F)c1 ZINC000040799901 205073185 /nfs/dbraw/zinc/07/31/85/205073185.db2.gz BYTVGUVCCDLUMD-UHFFFAOYSA-N 0 0 381.308 4.843 10 0 GJAERN Cc1c(C(=O)Nc2nc3c(s2)CCC3)sc2nc(-c3ccccc3)cn12 ZINC000040828354 205073362 /nfs/dbraw/zinc/07/33/62/205073362.db2.gz XHELZTHUXRIEHS-UHFFFAOYSA-N 0 0 380.498 4.569 10 0 GJAERN Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)cc1C ZINC000040861439 205073539 /nfs/dbraw/zinc/07/35/39/205073539.db2.gz CNLJKLODZVXKSB-UHFFFAOYSA-N 0 0 379.847 4.856 10 0 GJAERN COc1cccc(F)c1C(=O)c1cc(Cl)ccc1NC(=O)c1ccccc1 ZINC000072191262 205319582 /nfs/dbraw/zinc/31/95/82/205319582.db2.gz BMACAERXSPTBSK-UHFFFAOYSA-N 0 0 383.806 4.971 10 0 GJAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1COc1ncc(C(F)(F)F)cc1Cl ZINC000095086586 205438403 /nfs/dbraw/zinc/43/84/03/205438403.db2.gz VMEXBRCWVDEJJL-GFCCVEGCSA-N 0 0 394.821 4.922 10 0 GJAERN Cc1cn(S(=O)(=O)c2ccccc2)c2ncc(-c3ccccc3)c(Cl)c12 ZINC000095936963 205503742 /nfs/dbraw/zinc/50/37/42/205503742.db2.gz PLFWQRHRIHBMQU-UHFFFAOYSA-N 0 0 382.872 4.902 10 0 GJAERN Cc1ccc(OCC(=O)Nc2ccccc2Br)c(Br)c1 ZINC000005927197 205817911 /nfs/dbraw/zinc/81/79/11/205817911.db2.gz VSBWRSUNMLCJTA-UHFFFAOYSA-N 0 0 399.082 4.538 10 0 GJAERN O=C(Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1)c1ccc(Cl)nc1 ZINC000096247545 211324769 /nfs/dbraw/zinc/32/47/69/211324769.db2.gz CAKAMBJSIRSZES-UHFFFAOYSA-N 0 0 392.821 4.979 10 0 GJAERN CC(C)N(Cc1ccccc1Cl)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088160 211220597 /nfs/dbraw/zinc/22/05/97/211220597.db2.gz KNSGAMDZKRATHX-KRWDZBQOSA-N 0 0 394.943 4.724 10 0 GJAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCCOc2cccc(Br)n2)C1 ZINC000095085013 211218232 /nfs/dbraw/zinc/21/82/32/211218232.db2.gz SZFNQLXRSYJQOK-AWEZNQCLSA-N 0 0 399.329 4.650 10 0 GJAERN FC(F)Oc1c(Br)cc(Br)cc1Br ZINC000034783515 210665909 /nfs/dbraw/zinc/66/59/09/210665909.db2.gz VEDRFHPQHCBMHA-UHFFFAOYSA-N 0 0 380.808 4.576 10 0 GJAERN C[C@@H](Nc1ccccc1S(=O)(=O)C(F)F)c1ccc(Br)s1 ZINC000038002966 210407245 /nfs/dbraw/zinc/40/72/45/210407245.db2.gz UIBIOOPVQKRUFM-MRVPVSSYSA-N 0 0 396.278 4.680 10 0 GJAERN COc1ccc(CCC(=O)Nc2cc(F)c3nc(N4CCCC4)ccc3c2)cc1 ZINC000021711015 210389708 /nfs/dbraw/zinc/38/97/08/210389708.db2.gz YVNYPMLUMQRGMJ-UHFFFAOYSA-N 0 0 393.462 4.554 10 0 GJAERN CCCCN1c2cccnc2S[C@H](CC(=O)Nc2ccccc2C(C)C)C1=O ZINC000065172283 136159858 /nfs/dbraw/zinc/15/98/58/136159858.db2.gz SOMNUWVEJVMEIU-LJQANCHMSA-N 0 0 397.544 4.841 10 0 GJAERN C[C@@H]1CN(c2nc3ccccc3c(NCc3ccccc3Cl)n2)C[C@H](C)O1 ZINC000072260570 136167723 /nfs/dbraw/zinc/16/77/23/136167723.db2.gz TVYRVHQYFOKWDL-GASCZTMLSA-N 0 0 382.895 4.509 10 0 GJAERN CC(C)CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000073652694 519706755 /nfs/dbraw/zinc/70/67/55/519706755.db2.gz IKOUKRHMKCKVJM-LJQANCHMSA-N 0 0 390.524 4.681 10 0 GJAERN Fc1ccc(Nc2nc(Cl)c3c(n2)CCN(Cc2ccccc2)C3)cc1F ZINC000057343707 526355595 /nfs/dbraw/zinc/35/55/95/526355595.db2.gz USGSCTPQOPKSTK-UHFFFAOYSA-N 0 0 386.833 4.710 10 0 GJAERN CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@H]2[C@@]2(OC(=O)C3=C2CCC=C3)[C@H]1CCC ZINC000033830830 560088763 /nfs/dbraw/zinc/08/87/63/560088763.db2.gz TYSOMZQRYGBSKN-KSVGXWDLSA-N 0 0 380.484 4.922 10 0 GJAERN COC(=O)CCCC(=O)Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1 ZINC000023312649 570237865 /nfs/dbraw/zinc/23/78/65/570237865.db2.gz VEZOOMDQOSGYNZ-UHFFFAOYSA-N 0 0 392.430 4.837 10 0 GJAERN Cc1cc(Cl)ccc1NC(=S)NNC(=S)Nc1ccc(Cl)cc1C ZINC000020352579 570252669 /nfs/dbraw/zinc/25/26/69/570252669.db2.gz MJBGIYQZZDQHRI-UHFFFAOYSA-N 0 0 399.372 4.798 10 0 GJAERN CC(C)(C)n1nc(-c2ccccc2)c(NC(=O)NCCCc2ccccc2)c1N ZINC000034784967 570331834 /nfs/dbraw/zinc/33/18/34/570331834.db2.gz KUTCLIHTGSNRMC-UHFFFAOYSA-N 0 0 391.519 4.642 10 0 GJAERN CCCc1[nH]nc(-c2cc(OC)ccc2OC)c1NC(=O)OCc1ccccc1 ZINC000034794145 570337149 /nfs/dbraw/zinc/33/71/49/570337149.db2.gz UBVTULBEJNUCGS-UHFFFAOYSA-N 0 0 395.459 4.795 10 0 GJAERN COc1cccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2ccc(F)cc2F)c1 ZINC000034796207 570337886 /nfs/dbraw/zinc/33/78/86/570337886.db2.gz CRCVBYYRKLOJCQ-UHFFFAOYSA-N 0 0 385.414 4.814 10 0 GJAERN CCCNC(=O)N(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)CC1CC1 ZINC000006690516 570533273 /nfs/dbraw/zinc/53/32/73/570533273.db2.gz WFUUQQAFJAKRMA-UHFFFAOYSA-N 0 0 395.334 4.570 10 0 GJAERN COc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccccc1C(F)(F)F ZINC000045967254 571008119 /nfs/dbraw/zinc/00/81/19/571008119.db2.gz AISFKZMHAWRJAQ-UHFFFAOYSA-N 0 0 375.350 4.526 10 0 GJAERN O=C(Nc1noc2c1COc1ccccc1-2)N1CCC(Cc2ccccc2)CC1 ZINC000006892884 209703170 /nfs/dbraw/zinc/70/31/70/209703170.db2.gz YVUNYSPRFOACNO-UHFFFAOYSA-N 0 0 389.455 4.721 10 0 GJAERN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1OCC ZINC000001918823 209342542 /nfs/dbraw/zinc/34/25/42/209342542.db2.gz FPUUBXDPGKOTNJ-FMIVXFBMSA-N 0 0 390.277 4.898 10 0 GJAERN CC(C)OC(=O)[C@H](C)Sc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000000938347 209280830 /nfs/dbraw/zinc/28/08/30/209280830.db2.gz QXEYAMVQAVJTTC-NSHDSACASA-N 0 0 376.478 4.930 10 0 GJAERN CC(=O)Nc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)cc1 ZINC000005780597 212067190 /nfs/dbraw/zinc/06/71/90/212067190.db2.gz YNUNMRKSEHOGRW-UHFFFAOYSA-N 0 0 391.905 4.639 10 0 GJAERN CCCOc1ccccc1/C=C/C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000001909910 203922394 /nfs/dbraw/zinc/92/23/94/203922394.db2.gz URLHIPLOWKHGPT-OUKQBFOZSA-N 0 0 399.512 4.854 10 0 GJAERN O=C1c2ccccc2N(Cc2ccccc2)C(=O)[C@@]1(Cl)Cc1ccccc1 ZINC000002144977 203929022 /nfs/dbraw/zinc/92/90/22/203929022.db2.gz BPLQLJJOVFZZMU-HSZRJFAPSA-N 0 0 375.855 4.636 10 0 GJAERN O=C(Nc1cccc(Cl)c1)OCc1nccn1Cc1ccc(Cl)cc1 ZINC000004344933 204040594 /nfs/dbraw/zinc/04/05/94/204040594.db2.gz RLXVMPDDJGBAQN-UHFFFAOYSA-N 0 0 376.243 4.987 10 0 GJAERN CCOC(=O)c1ccccc1NC(=O)CSc1cc(C)c2cccc(C)c2n1 ZINC000004801560 204077409 /nfs/dbraw/zinc/07/74/09/204077409.db2.gz ZUDPLRDBFDRSKU-UHFFFAOYSA-N 0 0 394.496 4.759 10 0 GJAERN Cc1cccc(NC(=O)Nc2ccc(C)c(NC(=O)Nc3cccc(C)n3)c2)n1 ZINC000006405486 204177659 /nfs/dbraw/zinc/17/76/59/204177659.db2.gz IASXFWUDLMYKNS-UHFFFAOYSA-N 0 0 390.447 4.690 10 0 GJAERN COc1cccc([C@H]2c3cccn3CCN2C(=O)Nc2cccc(C)c2C)c1 ZINC000006504458 204181229 /nfs/dbraw/zinc/18/12/29/204181229.db2.gz JHQRWZMPEYKKEF-QFIPXVFZSA-N 0 0 375.472 4.751 10 0 GJAERN COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)c(OC)c1 ZINC000008833483 204291220 /nfs/dbraw/zinc/29/12/20/204291220.db2.gz HPYIEGWUUGXLJI-UHFFFAOYSA-N 0 0 387.439 4.808 10 0 GJAERN CCCCCOC(=O)c1ccc(NC(=O)/C=C\c2ccc(OC)c(OC)c2)cc1 ZINC000033561607 204966209 /nfs/dbraw/zinc/96/62/09/204966209.db2.gz CGSKQEAFBZYXNV-ZSOIEALJSA-N 0 0 397.471 4.703 10 0 GJAERN Cc1ccc(Nc2ncnc(Nc3ccc(Br)cc3F)c2N)cc1 ZINC000040782072 205072227 /nfs/dbraw/zinc/07/22/27/205072227.db2.gz OSBIHNXPFOOOAI-UHFFFAOYSA-N 0 0 388.244 4.756 10 0 GJAERN O=C(Nc1cncs1)c1cc(NC(=O)c2cccc(Cl)c2)ccc1Cl ZINC000040872347 205074503 /nfs/dbraw/zinc/07/45/03/205074503.db2.gz HFMYTWDSEUZTCA-UHFFFAOYSA-N 0 0 392.267 4.955 10 0 GJAERN O=C(COc1ccc(Br)cc1F)c1ccccc1Br ZINC000048403862 205122776 /nfs/dbraw/zinc/12/27/76/205122776.db2.gz ISISXTSFZVHGRS-UHFFFAOYSA-N 0 0 388.030 4.612 10 0 GJAERN O=c1c2ccc(Br)cc2ncn1Cc1ccc(Cl)c(Cl)c1 ZINC000090550129 205272354 /nfs/dbraw/zinc/27/23/54/205272354.db2.gz KUSMSMJCPJQDBD-UHFFFAOYSA-N 0 0 384.060 4.514 10 0 GJAERN Cc1ccc(-c2noc([C@H](NC(=O)c3cccs3)C(C)C)n2)cc1Cl ZINC000096293611 205556984 /nfs/dbraw/zinc/55/69/84/205556984.db2.gz LFZXCJHRDZQQJZ-OAHLLOKOSA-N 0 0 375.881 4.887 10 0 GJAERN Cc1cc(I)cc2c1N(C(=O)OC(C)(C)C)[C@H](C)CC2 ZINC000299889448 206194065 /nfs/dbraw/zinc/19/40/65/206194065.db2.gz JOIYEQCXLZEUKR-LLVKDONJSA-N 0 0 387.261 4.676 10 0 GJAERN COc1ccc(NC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)cc1Cl ZINC000001945558 206212833 /nfs/dbraw/zinc/21/28/33/206212833.db2.gz LLRDFEFCINAJHI-UXBLZVDNSA-N 0 0 375.852 4.796 10 0 GJAERN O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@@H]1CCCN1Cc1cccnc1 ZINC000095498246 211250279 /nfs/dbraw/zinc/25/02/79/211250279.db2.gz SFERGNHXDNXQTK-DEOSSOPVSA-N 0 0 396.494 4.833 10 0 GJAERN OC[C@@H]1CCCN(c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)C1 ZINC000095078550 211219023 /nfs/dbraw/zinc/21/90/23/211219023.db2.gz FOTBONHBRLCEKV-OAHLLOKOSA-N 0 0 390.314 4.600 10 0 GJAERN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N(Cc1cccc(Cl)c1)C1CC1 ZINC000095086160 211218806 /nfs/dbraw/zinc/21/88/06/211218806.db2.gz MDANWBZEGCKUJM-SFHVURJKSA-N 0 0 392.927 4.621 10 0 GJAERN OC[C@H]1CCCCN1c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000095078487 211218918 /nfs/dbraw/zinc/21/89/18/211218918.db2.gz VUPQPBLSMZPUOH-OAHLLOKOSA-N 0 0 390.314 4.743 10 0 GJAERN CC(C)(C)OC(=O)N1CCC(CCCOc2ccc(Br)cn2)CC1 ZINC000095083699 211218254 /nfs/dbraw/zinc/21/82/54/211218254.db2.gz CFJODJAVDUMWRJ-UHFFFAOYSA-N 0 0 399.329 4.650 10 0 GJAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000095086153 211218406 /nfs/dbraw/zinc/21/84/06/211218406.db2.gz QSMWYSAQOYQKJJ-GOSISDBHSA-N 0 0 392.927 4.621 10 0 GJAERN CCOc1ccc(OCC)c(NC(=O)c2cnc(-c3ccc(C)cc3)nc2C)c1 ZINC000085651546 211177711 /nfs/dbraw/zinc/17/77/11/211177711.db2.gz YRWTZGGQJFAZBP-UHFFFAOYSA-N 0 0 391.471 4.810 10 0 GJAERN Cc1cc2c(nc(-c3cccnc3)nc2Nc2ccc3c(c2)OCCO3)s1 ZINC000072260890 211083005 /nfs/dbraw/zinc/08/30/05/211083005.db2.gz PDZGOISMVQWEHG-UHFFFAOYSA-N 0 0 376.441 4.577 10 0 GJAERN CN(Cc1ccc(C(F)(F)F)cc1)Cc1nc(N)c2ccc(Cl)cc2n1 ZINC000059433876 210925061 /nfs/dbraw/zinc/92/50/61/210925061.db2.gz CBVHBVZEUFLJQV-UHFFFAOYSA-N 0 0 380.801 4.516 10 0 GJAERN CCc1cc2c(cc1OC)oc(CC)c(-c1cc3c(cc1C)OCCO3)c2=O ZINC000057291902 210896584 /nfs/dbraw/zinc/89/65/84/210896584.db2.gz DVEMJJGZKZLNRB-UHFFFAOYSA-N 0 0 380.440 4.673 10 0 GJAERN CCc1ccc(Oc2ncnc(Nc3ccc(Br)cc3)c2N)cc1 ZINC000040782328 210795079 /nfs/dbraw/zinc/79/50/79/210795079.db2.gz UYRLAHDJXHIXLV-UHFFFAOYSA-N 0 0 385.265 4.920 10 0 GJAERN O=C(CCC1CCCC1)N[C@@H]1CCN(c2nc3ccccc3n2C2CCCC2)C1 ZINC000034907195 210670907 /nfs/dbraw/zinc/67/09/07/210670907.db2.gz GBBKDHXYTDMWDP-LJQANCHMSA-N 0 0 394.563 4.817 10 0 GJAERN CC(C)Cn1c2nnc(SCc3ccc(Cl)cc3)n2c2ccccc2c1=O ZINC000033256459 210631815 /nfs/dbraw/zinc/63/18/15/210631815.db2.gz VELDAZYLCRVNDC-UHFFFAOYSA-N 0 0 398.919 4.646 10 0 GJAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc(Br)ccc1Cl ZINC000037980039 210402624 /nfs/dbraw/zinc/40/26/24/210402624.db2.gz XYFVZQMGKONYEA-WPRPVWTQSA-N 0 0 384.623 4.953 10 0 GJAERN COC[C@H](C)Oc1ccc(CN(C(=O)c2ccccc2OC)C2CCCC2)cc1 ZINC000020775207 210361179 /nfs/dbraw/zinc/36/11/79/210361179.db2.gz ODNHOMAQVHZPHQ-SFHVURJKSA-N 0 0 397.515 4.694 10 0 GJAERN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cccc3c2OCO3)n1 ZINC000020536463 210345687 /nfs/dbraw/zinc/34/56/87/210345687.db2.gz VHCRMKIROYCTGO-XMMPIXPASA-N 0 0 397.478 4.748 10 0 GJAERN CC(C)N(Cc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000020369296 210328552 /nfs/dbraw/zinc/32/85/52/210328552.db2.gz DQMQNWFAQWHUMV-UHFFFAOYSA-N 0 0 386.495 4.919 10 0 GJAERN COc1ccc(NC(=S)N(Cc2cccs2)C[C@@H]2CCCO2)c(Cl)c1 ZINC000020228918 210323748 /nfs/dbraw/zinc/32/37/48/210323748.db2.gz WQZINVZXHJVBAU-AWEZNQCLSA-N 0 0 396.965 4.788 10 0 GJAERN Cc1nc2sc(-c3ccccc3)cc2c(=O)n1[C@H](C)C(=O)OC1CCCCC1 ZINC000012127150 221156606 /nfs/dbraw/zinc/15/66/06/221156606.db2.gz VCUZFXGHQHBWJG-CQSZACIVSA-N 0 0 396.512 4.870 10 0 GJAERN Nc1c(Nc2ccccc2Br)ncnc1N1CCCc2ccccc21 ZINC000040780086 132406204 /nfs/dbraw/zinc/40/62/04/132406204.db2.gz DSOUZZFOPGWQRJ-UHFFFAOYSA-N 0 0 396.292 4.649 10 0 GJAERN COc1ccc(-c2cc(=O)[nH]c(Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1 ZINC000057341768 523089250 /nfs/dbraw/zinc/08/92/50/523089250.db2.gz PGFFPLLJCXMIDZ-UHFFFAOYSA-N 0 0 395.768 4.861 10 0 GJAERN Cc1cc(Nc2nc(Cl)c3c(n2)CCN(Cc2ccccc2)C3)ccc1F ZINC000057343723 525307063 /nfs/dbraw/zinc/30/70/63/525307063.db2.gz YFQHXFJYUFMCSF-UHFFFAOYSA-N 0 0 382.870 4.879 10 0 GJAERN O[C@@H]1C(Cl)=CC=C([C@@H](c2ccc(Cl)cc2)C(Cl)(Cl)Cl)[C@@H]1O ZINC000004097217 560194489 /nfs/dbraw/zinc/19/44/89/560194489.db2.gz GSABQSGIWIDCHM-FRRDWIJNSA-N 0 0 388.505 4.578 10 0 in-vitro GJAERN COCc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2F)ccc1OC ZINC000020352832 570252645 /nfs/dbraw/zinc/25/26/45/570252645.db2.gz RSJYNQSXPOPLOF-QFIPXVFZSA-N 0 0 392.430 4.752 10 0 GJAERN CCCc1[nH]nc(-c2ccc3c(c2)OCO3)c1NC(=O)Nc1ccccc1C ZINC000034796616 570338111 /nfs/dbraw/zinc/33/81/11/570338111.db2.gz XMBKWWLZIRXHPY-UHFFFAOYSA-N 0 0 378.432 4.710 10 0 GJAERN CC1(C)CO[C@]2(CC[C@]3(C)[C@@H]4CC[C@@]5(C)[C@H](CC[C@@H]5O)[C@H]4CC[C@H]3C2)N1O ZINC000253598136 570735226 /nfs/dbraw/zinc/73/52/26/570735226.db2.gz CEGKCAAZUMATHD-SXANASKCSA-N 0 0 377.569 4.586 10 0 GJAERN Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C(=O)c2cccc(Cl)c2)o1 ZINC000004454426 570784680 /nfs/dbraw/zinc/78/46/80/570784680.db2.gz FEBABISUXBJSQM-UHFFFAOYSA-N 0 0 383.831 4.813 10 0 GJAERN CC(C)(C)CC(=O)Nc1cncc(-c2cc3cnn([C@@H]4CCCCO4)c3cn2)c1 ZINC000498050912 570909108 /nfs/dbraw/zinc/90/91/08/570909108.db2.gz ZIEJHVRBWYSVRG-NRFANRHFSA-N 0 0 393.491 4.567 10 0 GJAERN Cc1nn(C(C)C)cc1NCc1ccc(Br)c(Br)c1 ZINC000725242429 570999688 /nfs/dbraw/zinc/99/96/88/570999688.db2.gz DIWFMDRQNIBNFJ-UHFFFAOYSA-N 0 0 387.119 4.910 10 0 GJAERN NS(=O)(=O)c1ccc(-c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1 ZINC000013477379 210062393 /nfs/dbraw/zinc/06/23/93/210062393.db2.gz TVBPGLLMHWPJSD-UHFFFAOYSA-N 0 0 382.872 4.803 10 0 GJAERN O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000012757679 210004073 /nfs/dbraw/zinc/00/40/73/210004073.db2.gz DQWOYLXISLTHQD-LJQANCHMSA-N 0 0 379.891 4.621 10 0 GJAERN C[C@@H](NC(=O)c1cc(Br)c(Br)s1)c1ccccc1 ZINC000008181613 209766450 /nfs/dbraw/zinc/76/64/50/209766450.db2.gz XLIOSRFPQGCECD-MRVPVSSYSA-N 0 0 389.112 4.764 10 0 GJAERN COC(=O)c1c(NC(=O)/C=C/c2cccc(Cl)c2)sc2c1CC[C@@H](C)C2 ZINC000001909259 209342623 /nfs/dbraw/zinc/34/26/23/209342623.db2.gz NHQXAGKARWMHNJ-YPUOHESYSA-N 0 0 389.904 4.965 10 0 GJAERN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1cc(C)ccc1OC ZINC000001924830 209342273 /nfs/dbraw/zinc/34/22/73/209342273.db2.gz JZFMLFMPFZUFRS-UXBLZVDNSA-N 0 0 390.277 4.817 10 0 GJAERN COc1ccc2nc(-n3c(=O)c4ccccc4nc3-c3ccccc3)sc2c1 ZINC000103290543 209244729 /nfs/dbraw/zinc/24/47/29/209244729.db2.gz QDYHBBIZYQCKET-UHFFFAOYSA-N 0 0 385.448 4.671 10 0 GJAERN Cc1nnc(SCc2ccccc2)nc1/C=C\NOCc1ccc(Cl)cc1 ZINC000003104845 209229722 /nfs/dbraw/zinc/22/97/22/209229722.db2.gz NMIORYXAZBTMCR-QXMHVHEDSA-N 0 0 398.919 4.818 10 0 GJAERN O=Cc1cccc2c1CC(=O)N2Cc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000261507474 209224178 /nfs/dbraw/zinc/22/41/78/209224178.db2.gz IYIOUTDEKRZGPY-UHFFFAOYSA-N 0 0 387.279 4.626 10 0 GJAERN CC(C)(C)OC(=O)C(C)(C)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000299889601 212041444 /nfs/dbraw/zinc/04/14/44/212041444.db2.gz LPGNFTYRBLGEBZ-UHFFFAOYSA-N 0 0 395.499 4.893 10 0 GJAERN Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1Cc1ccc2c(c1)OCO2 ZINC000003208149 203988978 /nfs/dbraw/zinc/98/89/78/203988978.db2.gz WOLZFGWIQVCIDK-UHFFFAOYSA-N 0 0 386.860 4.677 10 0 aggregator GJAERN COc1ccc(C(=O)Nc2nc3c(cc(Cl)cc3Cl)s2)cc1OC ZINC000004331022 204039947 /nfs/dbraw/zinc/03/99/47/204039947.db2.gz PXKWERGJFGKPSM-UHFFFAOYSA-N 0 0 383.256 4.873 10 0 GJAERN CCOc1ccc(NC(=O)c2sc3ncnc(N4CCCCC4)c3c2C)cc1 ZINC000004716511 204068212 /nfs/dbraw/zinc/06/82/12/204068212.db2.gz WSAUTUJLRKXRPJ-UHFFFAOYSA-N 0 0 396.516 4.641 10 0 GJAERN COc1ccc(NC(=O)c2ccc3c(c2)nc2c(c3Cl)CCC2)c(OC)c1 ZINC000006738584 204197564 /nfs/dbraw/zinc/19/75/64/204197564.db2.gz XXTCKNCYPZNROU-UHFFFAOYSA-N 0 0 382.847 4.646 10 0 GJAERN COc1ccc(CC(=O)N[C@@H](c2nc3ccccc3n2C(C)C)C(C)C)cc1 ZINC000334161856 209178363 /nfs/dbraw/zinc/17/83/63/209178363.db2.gz JVUOMXIWIBDQFV-JOCHJYFZSA-N 0 0 379.504 4.682 10 0 GJAERN CCOc1c(CNCc2ccccc2Cl)cc(Br)cc1OC ZINC000010474090 204335637 /nfs/dbraw/zinc/33/56/37/204335637.db2.gz ZBXZINPNTLUXLE-UHFFFAOYSA-N 0 0 384.701 4.800 10 0 GJAERN CCn1ccnc1CNCc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000012303168 204392836 /nfs/dbraw/zinc/39/28/36/204392836.db2.gz VRMSZIGXIQEEBX-UHFFFAOYSA-N 0 0 385.515 4.662 10 0 GJAERN COc1ccc([C@H]2c3cccn3CCCN2Cc2cccc(Cl)c2)cc1O ZINC000036348736 205013302 /nfs/dbraw/zinc/01/33/02/205013302.db2.gz GPVSZVDCGAIXAO-QFIPXVFZSA-N 0 0 382.891 4.851 10 0 GJAERN O=C(Cc1ccccn1)Nc1cccc2oc(Nc3cccc(Cl)c3)nc21 ZINC000038934101 205039778 /nfs/dbraw/zinc/03/97/78/205039778.db2.gz LGSSNQNLKCKXER-UHFFFAOYSA-N 0 0 378.819 4.801 10 0 GJAERN CC[C@H](C)NC(=O)[C@@H]1CC[C@H](c2ccc(F)c(C)c2)N(C(=O)C2CCCC2)C1 ZINC000037614012 205029376 /nfs/dbraw/zinc/02/93/76/205029376.db2.gz GDXKIKXQNSYHNN-LDQXTDLNSA-N 0 0 388.527 4.519 10 0 GJAERN Nc1c(Nc2ccc(Br)cc2)ncnc1Nc1cc(F)ccc1F ZINC000040782310 205072428 /nfs/dbraw/zinc/07/24/28/205072428.db2.gz LYLXJXFJSZSUDC-UHFFFAOYSA-N 0 0 392.207 4.587 10 0 GJAERN CCc1ccc(Oc2ncnc(Oc3ccc(Br)cc3)c2N)cc1 ZINC000040801818 205072641 /nfs/dbraw/zinc/07/26/41/205072641.db2.gz JMKVMDJABCEOHI-UHFFFAOYSA-N 0 0 386.249 4.968 10 0 GJAERN Nc1c(Nc2cccc(Br)c2)ncnc1Nc1ccc(F)cc1F ZINC000040797330 205072694 /nfs/dbraw/zinc/07/26/94/205072694.db2.gz ALBRBGRBUZDADS-UHFFFAOYSA-N 0 0 392.207 4.587 10 0 GJAERN COc1ccc(Oc2ncnc(Nc3ccc(Cl)cc3Cl)c2N)cc1 ZINC000040783354 205072746 /nfs/dbraw/zinc/07/27/46/205072746.db2.gz KCNAPSPZGZXTBM-UHFFFAOYSA-N 0 0 377.231 4.910 10 0 GJAERN CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ccc3[nH]nc(C=O)c3c2)cc1 ZINC000059691223 205180131 /nfs/dbraw/zinc/18/01/31/205180131.db2.gz ANACLSSMAUTBFN-UHFFFAOYSA-N 0 0 379.460 4.802 10 0 GJAERN COc1cccc(-c2nc3ccn(Cc4ccc(Br)cc4)cc-3n2)c1 ZINC000100068186 211382110 /nfs/dbraw/zinc/38/21/10/211382110.db2.gz PEBZAZAARWNKJL-UHFFFAOYSA-N 0 0 394.272 4.869 10 0 GJAERN O=C(c1ccc(O[C@H]2CCOC2)cc1)c1cc(Br)ccc1Cl ZINC000095933546 211284144 /nfs/dbraw/zinc/28/41/44/211284144.db2.gz DGMVPGOZCCHBQI-AWEZNQCLSA-N 0 0 381.653 4.501 10 0 GJAERN Cc1c2c(c(C)c(C)c1O)O[C@](C)(Cn1nccc1-c1cccc3c1NCC3)C2 ZINC000089210185 211179932 /nfs/dbraw/zinc/17/99/32/211179932.db2.gz XYUVZPDHHKNHED-DEOSSOPVSA-N 0 0 389.499 4.543 10 0 GJAERN CCCCOC(=O)c1ccc(-c2nc3c(ccc(N)c3Br)[nH]2)cc1 ZINC000078400772 211148042 /nfs/dbraw/zinc/14/80/42/211148042.db2.gz TYHNVWIMVWSMTM-UHFFFAOYSA-N 0 0 388.265 4.532 10 0 GJAERN Cc1ccc(Oc2ncnc(Nc3ncc(C(F)(F)F)cc3Cl)c2N)cc1 ZINC000040796369 210794525 /nfs/dbraw/zinc/79/45/25/210794525.db2.gz ZLUXKQSXAOSJAW-UHFFFAOYSA-N 0 0 395.772 4.970 10 0 GJAERN CC(=O)Nc1ccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccn2)cc1 ZINC000020909473 210367970 /nfs/dbraw/zinc/36/79/70/210367970.db2.gz SCURZIMNLJCSTB-VWLOTQADSA-N 0 0 396.494 4.669 10 0 GJAERN Cc1cc(Oc2ncnc(N3CCc4ccccc4C3)c2N)cc(C)c1Cl ZINC000040780667 132406614 /nfs/dbraw/zinc/40/66/14/132406614.db2.gz FPJAAQURFNMDHB-UHFFFAOYSA-N 0 0 380.879 4.684 10 0 GJAERN Cc1ccc2ccc3cc(C(=O)NCCCN4CCCc5ccccc54)[nH]c3c2n1 ZINC000085577791 136175319 /nfs/dbraw/zinc/17/53/19/136175319.db2.gz BCEBKCPDPCGTCA-UHFFFAOYSA-N 0 0 398.510 4.597 10 0 GJAERN COc1cc(-c2nc3ccccc3c(N3CCC(C)CC3)n2)cc(OC)c1OC ZINC000000752830 521905824 /nfs/dbraw/zinc/90/58/24/521905824.db2.gz BVJIQDCGZUOLKD-UHFFFAOYSA-N 0 0 393.487 4.559 10 0 GJAERN Fc1ccc(Nc2nc(Cl)c3c(n2)CCN(Cc2ccccc2)C3)c(F)c1 ZINC000057343696 526354983 /nfs/dbraw/zinc/35/49/83/526354983.db2.gz ICSUXKGCLPALAF-UHFFFAOYSA-N 0 0 386.833 4.710 10 0 GJAERN CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@H]2[C@]2(OC(=O)C3=C2CCC=C3)[C@H]1CCC ZINC000203003552 560044301 /nfs/dbraw/zinc/04/43/01/560044301.db2.gz TYSOMZQRYGBSKN-IFOGATBTSA-N 0 0 380.484 4.922 10 0 GJAERN O=C(NCC1CC1)c1csc(-c2ccccc2OCc2ccc(F)cc2)n1 ZINC000034723149 570317751 /nfs/dbraw/zinc/31/77/51/570317751.db2.gz ORQTVRLRAPBELM-UHFFFAOYSA-N 0 0 382.460 4.668 10 0 GJAERN Cc1nc(-n2cccc2)sc1C(=O)Nc1c(F)cc(F)cc1Br ZINC000006806392 570392271 /nfs/dbraw/zinc/39/22/71/570392271.db2.gz BFGDPVIRXJOBPW-UHFFFAOYSA-N 0 0 398.232 4.535 10 0 GJAERN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2nccs2)c1 ZINC000015073124 570723729 /nfs/dbraw/zinc/72/37/29/570723729.db2.gz MGZXSHCZNURROJ-QFIPXVFZSA-N 0 0 375.497 4.781 10 0 GJAERN CC[C@H](C)NC(=O)c1ncc(C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc21 ZINC000004563411 570890145 /nfs/dbraw/zinc/89/01/45/570890145.db2.gz OUEQLNVNHCDETH-AWEZNQCLSA-N 0 0 395.890 4.977 10 0 GJAERN CC(C)(C)CC(=O)N1CCCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000103293420 570902657 /nfs/dbraw/zinc/90/26/57/570902657.db2.gz ZKLDDNITEWFESU-UHFFFAOYSA-N 0 0 391.515 4.841 10 0 GJAERN Cc1ccc(CN2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)o1 ZINC000014974122 210139626 /nfs/dbraw/zinc/13/96/26/210139626.db2.gz JDMNQQXDSOCVTK-UHFFFAOYSA-N 0 0 392.480 4.965 10 0 GJAERN CCNC(=O)C1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CCCCC1 ZINC000013350388 210059923 /nfs/dbraw/zinc/05/99/23/210059923.db2.gz MFBVWSKPPCQYDL-UHFFFAOYSA-N 0 0 384.907 4.930 10 0 GJAERN CC[C@@H]1CCCCN1C(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1 ZINC000011699555 209881624 /nfs/dbraw/zinc/88/16/24/209881624.db2.gz BIUMLBUGXTXQEP-GOSISDBHSA-N 0 0 378.472 4.832 10 0 GJAERN COc1cc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc(Br)c1OC ZINC000001983655 209343845 /nfs/dbraw/zinc/34/38/45/209343845.db2.gz KUVZQQYJEUTNNO-AATRIKPKSA-N 0 0 390.277 4.735 10 0 GJAERN CCOc1ccc(/C=C/C(=O)Nc2ccccc2Br)cc1OCC ZINC000001918686 209342662 /nfs/dbraw/zinc/34/26/62/209342662.db2.gz CGZNREWTLWFMKJ-ZRDIBKRKSA-N 0 0 390.277 4.898 10 0 GJAERN COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)sc2c1CCC2 ZINC000001937186 209342665 /nfs/dbraw/zinc/34/26/65/209342665.db2.gz YGLYCXSPTLOZPM-SOFGYWHQSA-N 0 0 396.295 4.982 10 0 GJAERN Clc1ccc([C@H]([C@@H](c2ccccc2)c2ccncc2)N2CCOCC2)cc1 ZINC000015784053 209234864 /nfs/dbraw/zinc/23/48/64/209234864.db2.gz FXFVKGWWGFQVOI-XZOQPEGZSA-N 0 0 378.903 4.940 10 0 GJAERN O=C(Nc1nc2cc3c(cc2s1)OCO3)C(c1ccccc1)c1ccccc1 ZINC000004348549 204040618 /nfs/dbraw/zinc/04/06/18/204040618.db2.gz ZVMNFQFHJSRHRO-UHFFFAOYSA-N 0 0 388.448 4.796 10 0 GJAERN CCCCCCC(=O)N(CC(=O)N(Cc1ccco1)Cc1ccccc1)C1CC1 ZINC000004527196 204051253 /nfs/dbraw/zinc/05/12/53/204051253.db2.gz JEMKMFVGASAXGW-UHFFFAOYSA-N 0 0 396.531 4.770 10 0 GJAERN CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)s1 ZINC000008600722 204281124 /nfs/dbraw/zinc/28/11/24/204281124.db2.gz BFUWSZCITJFQCR-UHFFFAOYSA-N 0 0 385.514 4.507 10 0 GJAERN CC(C)CCn1c(CCNC(=O)C23CC4CC(CC(C4)C2)C3)nc2ccccc21 ZINC000008787175 204291238 /nfs/dbraw/zinc/29/12/38/204291238.db2.gz OUFDSKXYVCPALM-UHFFFAOYSA-N 0 0 393.575 4.958 10 0 GJAERN CCCCc1nc2cc(C(=O)N3CCCC[C@@H]3CCn3ccnc3C)ccc2o1 ZINC000011819943 204355152 /nfs/dbraw/zinc/35/51/52/204355152.db2.gz SIRIQJHHXCSCJB-LJQANCHMSA-N 0 0 394.519 4.760 10 0 GJAERN COc1ccc(Cl)cc1Nc1ncnc2sc(C(=O)OC(C)C)c(C)c21 ZINC000012131668 204373777 /nfs/dbraw/zinc/37/37/77/204373777.db2.gz MBNMAGAKEBPHGC-UHFFFAOYSA-N 0 0 391.880 4.971 10 0 GJAERN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)CC(C)(C)C)C3)s1 ZINC000012279989 204389644 /nfs/dbraw/zinc/38/96/44/204389644.db2.gz HKBUSQOXVDLMEG-OAHLLOKOSA-N 0 0 389.492 4.613 10 0 GJAERN O=C(c1ccc2ccccc2n1)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 ZINC000012597851 204430815 /nfs/dbraw/zinc/43/08/15/204430815.db2.gz AFRQMEMDLKSGKV-UHFFFAOYSA-N 0 0 389.842 4.742 10 0 GJAERN CCCCN1C(=O)NC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1=O ZINC000013679299 204502675 /nfs/dbraw/zinc/50/26/75/204502675.db2.gz RINFQEOJJBAXHG-UHFFFAOYSA-N 0 0 377.271 4.589 10 0 GJAERN O=C(c1ccc2oc(Cc3ccccc3)nc2c1)N1CCC[C@H]1c1ccccn1 ZINC000015063526 204555699 /nfs/dbraw/zinc/55/56/99/204555699.db2.gz NQOXXZLOFJORHG-NRFANRHFSA-N 0 0 383.451 4.791 10 0 GJAERN CCCCN(C)C(=O)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033261061 204952732 /nfs/dbraw/zinc/95/27/32/204952732.db2.gz VVHOILWFSUEYBQ-UHFFFAOYSA-N 0 0 378.451 4.898 10 0 GJAERN O=C(COc1cccc(Br)c1)c1ccc(Br)s1 ZINC000048102639 205113387 /nfs/dbraw/zinc/11/33/87/205113387.db2.gz GJWXUVDZHVPVPZ-UHFFFAOYSA-N 0 0 376.069 4.535 10 0 GJAERN CCCc1cc(Nc2ccc(Br)cc2)n2nc(-c3ccco3)nc2n1 ZINC000064592799 205191572 /nfs/dbraw/zinc/19/15/72/205191572.db2.gz KVNAHXCGRLNBHZ-UHFFFAOYSA-N 0 0 398.264 4.843 10 0 GJAERN C[C@@H](Oc1cccc(Br)c1)C(=O)c1ccc(Br)cc1 ZINC000070132779 205278867 /nfs/dbraw/zinc/27/88/67/205278867.db2.gz VAHPEEONVDRXES-SNVBAGLBSA-N 0 0 384.067 4.862 10 0 GJAERN CC[C@@H]1c2c(nc(C)nc2SCC(=O)Nc2ccc(F)cc2)S[C@H]1C ZINC000215966729 205930492 /nfs/dbraw/zinc/93/04/92/205930492.db2.gz WQKPUMYQXZFQTN-HZMBPMFUSA-N 0 0 377.510 4.643 10 0 GJAERN CCOC(=O)c1c(NC(=O)/C=C\c2ccc(F)cc2)sc2c1CC[C@@H](C)C2 ZINC000096569983 211345885 /nfs/dbraw/zinc/34/58/85/211345885.db2.gz AUPVADIDDHYDDH-LWMSPQMPSA-N 0 0 387.476 4.841 10 0 GJAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOCc1ccnc(Br)c1 ZINC000095086394 211219171 /nfs/dbraw/zinc/21/91/71/211219171.db2.gz NEYXJOAFWSYQGW-OAHLLOKOSA-N 0 0 399.329 4.540 10 0 GJAERN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N(Cc1ccccc1Cl)C1CC1 ZINC000095086166 211218294 /nfs/dbraw/zinc/21/82/94/211218294.db2.gz RXHGVRUUAXQODT-SFHVURJKSA-N 0 0 392.927 4.621 10 0 GJAERN OC[C@@H]1CCCN(c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)C1 ZINC000095078564 211218389 /nfs/dbraw/zinc/21/83/89/211218389.db2.gz UYVKPTWPGIHMCK-CQSZACIVSA-N 0 0 390.314 4.600 10 0 GJAERN CC(C)(C)OC(=O)N1CCC(Sc2nc3ccccc3nc2Cl)CC1 ZINC000085332678 211176604 /nfs/dbraw/zinc/17/66/04/211176604.db2.gz SVIYWRUSPURDRI-UHFFFAOYSA-N 0 0 379.913 4.775 10 0 GJAERN FC(F)(F)c1cccc(COc2ccc(I)cc2)c1 ZINC000070133790 211041359 /nfs/dbraw/zinc/04/13/59/211041359.db2.gz GCOCJZMZVDVKKO-UHFFFAOYSA-N 0 0 378.131 4.889 10 0 GJAERN C[C@H](Oc1ccc(I)cc1)C(=O)c1ccc(Cl)cc1 ZINC000070133357 211041017 /nfs/dbraw/zinc/04/10/17/211041017.db2.gz OIGDTIFZJAOXJB-JTQLQIEISA-N 0 0 386.616 4.595 10 0 GJAERN Cc1ccc(NC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)cc1Cl ZINC000065330723 210989031 /nfs/dbraw/zinc/98/90/31/210989031.db2.gz ZBFSXFLLAGYSCH-ZDUSSCGKSA-N 0 0 386.908 4.508 10 0 GJAERN Cc1ccc(Oc2ncnc(Nc3ccccc3Br)c2N)cc1C ZINC000040781488 210794752 /nfs/dbraw/zinc/79/47/52/210794752.db2.gz VZKYTECRVUEZCY-UHFFFAOYSA-N 0 0 385.265 4.974 10 0 GJAERN CC(=O)NCCCCCc1nc2ccccc2n1CCOc1c(C)cccc1C ZINC000035146637 210677673 /nfs/dbraw/zinc/67/76/73/210677673.db2.gz YQVWJVUSFHSUGP-UHFFFAOYSA-N 0 0 393.531 4.581 10 0 GJAERN Brc1cccc(Br)c1OCc1nc2ccccc2[nH]1 ZINC000027990484 210519834 /nfs/dbraw/zinc/51/98/34/210519834.db2.gz HEBAKGABDLREJQ-UHFFFAOYSA-N 0 0 382.055 4.667 10 0 GJAERN CC(=O)c1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)cc2)c1 ZINC000020516776 210343136 /nfs/dbraw/zinc/34/31/36/210343136.db2.gz FTWYCVVVCJOXTJ-UHFFFAOYSA-N 0 0 398.466 4.801 10 0 GJAERN O=C(Nc1ccccc1Cl)N1CCN(Cc2ccccc2)c2ncccc21 ZINC000064929329 136158222 /nfs/dbraw/zinc/15/82/22/136158222.db2.gz SONJJLINAAEEAV-UHFFFAOYSA-N 0 0 378.863 4.794 10 0 GJAERN COc1ccc(-c2cc(=O)[nH]c(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1 ZINC000057341788 523090455 /nfs/dbraw/zinc/09/04/55/523090455.db2.gz QFZDQBWNKJNOSP-UHFFFAOYSA-N 0 0 395.768 4.861 10 0 GJAERN CCc1noc(C)c1C(=O)N1Cc2cc(C)ccc2O[C@@H](c2ccsc2)C1 ZINC000011909511 570446286 /nfs/dbraw/zinc/44/62/86/570446286.db2.gz DOSFRJCZHPEFQX-LJQANCHMSA-N 0 0 382.485 4.691 10 0 GJAERN S=C(Nc1ccccc1)N(Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000005936734 570461938 /nfs/dbraw/zinc/46/19/38/570461938.db2.gz AYDOYUGMSVHQJK-UHFFFAOYSA-N 0 0 376.481 4.815 10 0 GJAERN COc1ccc(NC(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)cc1Cl ZINC000007309908 570502443 /nfs/dbraw/zinc/50/24/43/570502443.db2.gz QKJGLGDPNRJTQF-QPJJXVBHSA-N 0 0 382.243 4.671 10 0 GJAERN Cc1ccccc1-c1noc(CSCc2cc(Cl)cc3c2OCOC3)n1 ZINC000043629263 570667575 /nfs/dbraw/zinc/66/75/75/570667575.db2.gz CDJZDJNOWORQFU-UHFFFAOYSA-N 0 0 388.876 4.998 10 0 GJAERN CCc1ccc2nc(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)sc2c1 ZINC000003031723 570679793 /nfs/dbraw/zinc/67/97/93/570679793.db2.gz VIKRFOOKNQQTFX-UHFFFAOYSA-N 0 0 397.519 4.531 10 0 GJAERN Cc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)N[C@@H](C)c3ccccc3)C2)c1 ZINC000065136511 570707938 /nfs/dbraw/zinc/70/79/38/570707938.db2.gz SVLRRMDAYWKELV-PMACEKPBSA-N 0 0 393.531 4.897 10 0 GJAERN O=C(Nc1ccccc1)N1CC[C@H](n2c(C3CCCC3)nc3cccnc32)C1 ZINC000065271531 570777337 /nfs/dbraw/zinc/77/73/37/570777337.db2.gz GVYSTFSGNHQPSN-SFHVURJKSA-N 0 0 375.476 4.568 10 0 GJAERN COc1cccc(Cn2c(C(=O)NCc3ccco3)cc3sc(C)cc32)c1 ZINC000037541545 571028179 /nfs/dbraw/zinc/02/81/79/571028179.db2.gz DQRXPXCNDWNLRP-UHFFFAOYSA-N 0 0 380.469 4.591 10 0 GJAERN CN(C(=O)C[C@H](c1cccs1)N1Cc2ccccc2C1=O)c1ccc(F)cc1 ZINC000015721219 210164545 /nfs/dbraw/zinc/16/45/45/210164545.db2.gz QMVPSVPMIYKXHJ-LJQANCHMSA-N 0 0 394.471 4.637 10 0 GJAERN CSc1ccc2cc(CN(Cc3ccco3)C(=O)C(C)C)c(N(C)C)nc2c1 ZINC000014995219 210141803 /nfs/dbraw/zinc/14/18/03/210141803.db2.gz NHUFCTXNAGKRGW-UHFFFAOYSA-N 0 0 397.544 4.801 10 0 GJAERN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCCOc1cc(C)ccc1C ZINC000001925990 209342620 /nfs/dbraw/zinc/34/26/20/209342620.db2.gz GIJTUXWMCHHMFT-UHFFFAOYSA-N 0 0 389.517 4.956 10 0 GJAERN O=C(CC(=O)c1ccc(Br)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000001037938 209291854 /nfs/dbraw/zinc/29/18/54/209291854.db2.gz RJHARYDNPKEAKM-UHFFFAOYSA-N 0 0 387.060 4.967 10 0 GJAERN COc1cccc(CON2C(=O)CS[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000038149951 209246723 /nfs/dbraw/zinc/24/67/23/209246723.db2.gz GIKOSDLOFXCIDU-KRWDZBQOSA-N 0 0 384.284 4.708 10 0 GJAERN O=c1c(Br)c(-c2ccccc2)oc2ccc(Br)cc21 ZINC000026143513 209241582 /nfs/dbraw/zinc/24/15/82/209241582.db2.gz CACQSERPCWDKIH-UHFFFAOYSA-N 0 0 380.035 4.985 10 0 GJAERN CCOc1ccc(NC(=O)/C=C/c2cc(Br)ccc2OCC)cc1 ZINC000001918827 203922363 /nfs/dbraw/zinc/92/23/63/203922363.db2.gz CHOFEAZLZBYALL-LFYBBSHMSA-N 0 0 390.277 4.898 10 0 GJAERN Cc1csc2nc(CSc3nc4cc(C)ccc4[nH]3)c(Br)n12 ZINC000004150390 204028544 /nfs/dbraw/zinc/02/85/44/204028544.db2.gz HXJCNMUWSPUIFE-UHFFFAOYSA-N 0 0 393.335 4.944 10 0 GJAERN CCN(CC)c1ccc2cc(-c3nnc(-c4ccccc4)s3)c(=O)oc2c1 ZINC000005139518 204114004 /nfs/dbraw/zinc/11/40/04/204114004.db2.gz JBYNUUNOLLCWRY-UHFFFAOYSA-N 0 0 377.469 4.825 10 0 biogenic,in-vitro GJAERN Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3cc(Cl)cc(Cl)c3)ccc12 ZINC000006078187 204163798 /nfs/dbraw/zinc/16/37/98/204163798.db2.gz FSMOQBSECSPGEL-LLVKDONJSA-N 0 0 392.238 4.814 10 0 GJAERN COc1ccc(Cl)cc1NC(=O)c1cc2c(s1)c1ccccc1oc2=O ZINC000009968702 204327538 /nfs/dbraw/zinc/32/75/38/204327538.db2.gz IYVOLDBSLDJOHS-UHFFFAOYSA-N 0 0 385.828 4.922 10 0 GJAERN O=C(NCCc1c[nH]c2ccccc12)c1ccc2oc(Cc3ccccc3)nc2c1 ZINC000012027973 204367122 /nfs/dbraw/zinc/36/71/22/204367122.db2.gz GPKCTTVIWSQCES-UHFFFAOYSA-N 0 0 395.462 4.872 10 0 GJAERN Cc1cc(NC(=O)c2nc3ccccc3c(Nc3ccc(Cl)cc3)n2)no1 ZINC000021645867 204761224 /nfs/dbraw/zinc/76/12/24/204761224.db2.gz QBVTUXQAQHMTGM-UHFFFAOYSA-N 0 0 379.807 4.576 10 0 GJAERN COCCN(Cc1cc(-c2cc(C)ccc2C)on1)C(=O)Nc1ccccc1 ZINC000036005661 205001182 /nfs/dbraw/zinc/00/11/82/205001182.db2.gz GGUGBCSJWADJMC-UHFFFAOYSA-N 0 0 379.460 4.639 10 0 GJAERN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2Nc2ccccc2)cc1 ZINC000036293375 205011046 /nfs/dbraw/zinc/01/10/46/205011046.db2.gz DWVNHXMGNNXZBT-UHFFFAOYSA-N 0 0 380.425 4.819 10 0 GJAERN O=C(c1ccc(F)cc1)N1CCC[C@H](OCc2ccc(OC(F)(F)F)cc2)C1 ZINC000036315383 205011418 /nfs/dbraw/zinc/01/14/18/205011418.db2.gz KQQMVTOYVHPQLE-SFHVURJKSA-N 0 0 397.368 4.546 10 0 GJAERN CN1Cc2sc(Br)cc2[C@H](c2ccc(Br)cc2)C1 ZINC000038157558 205035278 /nfs/dbraw/zinc/03/52/78/205035278.db2.gz MPTJEIVSVWZMNX-LBPRGKRZSA-N 0 0 387.140 4.850 10 0 GJAERN COc1ccc(/C=C\c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1O ZINC000038184397 205035724 /nfs/dbraw/zinc/03/57/24/205035724.db2.gz NEAVUHJEMWILNJ-OWBHPGMISA-N 0 0 385.423 4.525 10 0 GJAERN Nc1c(Nc2cccc(Cl)c2)ncnc1Nc1cccc(Br)c1 ZINC000040781819 205072980 /nfs/dbraw/zinc/07/29/80/205072980.db2.gz DVDCFDIJNUZBRM-UHFFFAOYSA-N 0 0 390.672 4.962 10 0 GJAERN CCOc1ccccc1CN(Cc1ccc2cc(NC(C)=O)ccc2n1)C1CC1 ZINC000055309656 205147492 /nfs/dbraw/zinc/14/74/92/205147492.db2.gz RCKKWBQULWAELQ-UHFFFAOYSA-N 0 0 389.499 4.757 10 0 GJAERN CN(c1ncc(C(F)(F)F)cc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074153 205435817 /nfs/dbraw/zinc/43/58/17/205435817.db2.gz IRNMBQHSPUZYEH-LBPRGKRZSA-N 0 0 393.837 4.590 10 0 GJAERN COc1cc(NC(=O)/C=C/c2ccccc2Br)c(OC)cc1Cl ZINC000008313615 206224153 /nfs/dbraw/zinc/22/41/53/206224153.db2.gz BVCQOGMOBUSSQJ-BQYQJAHWSA-N 0 0 396.668 4.772 10 0 GJAERN CCCc1nc(-c2c(C)cc(C)nc2NC(=O)c2ccc(F)cc2Cl)no1 ZINC000096400059 211341223 /nfs/dbraw/zinc/34/12/23/211341223.db2.gz SYNCQAIUUAWUMO-UHFFFAOYSA-N 0 0 388.830 4.746 10 0 GJAERN CC[C@@H](C)N(CCc1nc(-c2cccc(Cl)c2)no1)C(=O)CC(C)(C)C ZINC000096293178 211330826 /nfs/dbraw/zinc/33/08/26/211330826.db2.gz CMAPITGHJJMNFI-CQSZACIVSA-N 0 0 377.916 4.996 10 0 GJAERN CC(C)(C)OC(=O)n1ccc2cc(NC(=O)COCc3ccccc3)ccc21 ZINC000089208998 211180570 /nfs/dbraw/zinc/18/05/70/211180570.db2.gz POFMQPRKLJYTPN-UHFFFAOYSA-N 0 0 380.444 4.580 10 0 GJAERN CC(C)(C)OC(=O)N1CCC[C@@H]1CSc1nc2ccccc2nc1Cl ZINC000085333497 211175911 /nfs/dbraw/zinc/17/59/11/211175911.db2.gz ZHFUFNIWWUMUID-GFCCVEGCSA-N 0 0 379.913 4.775 10 0 GJAERN Nc1c(Nc2ccc(F)cc2F)ncnc1Sc1cccc2cccnc21 ZINC000040800314 210794518 /nfs/dbraw/zinc/79/45/18/210794518.db2.gz UDTWDVILSKGMIM-UHFFFAOYSA-N 0 0 381.411 4.780 10 0 GJAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1Nc1ccccc1Br ZINC000040781394 210794349 /nfs/dbraw/zinc/79/43/49/210794349.db2.gz ZFWMKNFGUYOHBV-UHFFFAOYSA-N 0 0 390.672 4.962 10 0 GJAERN O=C(CCn1c(Cc2ccc(F)cc2)nc2ccccc21)Nc1ccccc1F ZINC000037397544 210740070 /nfs/dbraw/zinc/74/00/70/210740070.db2.gz BWLLQMQVVWGGMG-UHFFFAOYSA-N 0 0 391.421 4.934 10 0 GJAERN O=C(Cc1ccccc1)Nc1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000034733889 210663443 /nfs/dbraw/zinc/66/34/43/210663443.db2.gz KQZJUDCEPSPYHV-UHFFFAOYSA-N 0 0 399.494 4.700 10 0 GJAERN Fc1ccccc1CSc1nc2cccnc2n1Cc1cn2ccccc2n1 ZINC000021528353 210384305 /nfs/dbraw/zinc/38/43/05/210384305.db2.gz CDANYGDCMORYGG-UHFFFAOYSA-N 0 0 389.459 4.559 10 0 GJAERN COc1ccc(C2=Nc3cc(F)ccc3N=C(c3ccccc3)N2)cc1OC ZINC000021169614 210380098 /nfs/dbraw/zinc/38/00/98/210380098.db2.gz FTGPIGSSLVKSJW-UHFFFAOYSA-N 0 0 375.403 4.794 10 0 GJAERN Cc1ccc(Nc2nc(Cl)c3c(n2)CCN(Cc2ccccc2)C3)cc1F ZINC000057343695 525324877 /nfs/dbraw/zinc/32/48/77/525324877.db2.gz KXGFOGVRHJYFDE-UHFFFAOYSA-N 0 0 382.870 4.879 10 0 GJAERN CC1(C)CCC/C(=C\c2ccc(Br)cc2)[C@@]1(O)Cn1ccnc1 ZINC000020568390 570268558 /nfs/dbraw/zinc/26/85/58/570268558.db2.gz RQUNKOFOOZBILH-BAILOTOSSA-N 0 0 375.310 4.670 10 0 GJAERN O=C(CCC1CCCC1)N[C@H]1CCN(c2nc3ccccc3n2C2CCCC2)C1 ZINC000034907194 570339469 /nfs/dbraw/zinc/33/94/69/570339469.db2.gz GBBKDHXYTDMWDP-IBGZPJMESA-N 0 0 394.563 4.817 10 0 GJAERN CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@]4(C)CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118912663 570366416 /nfs/dbraw/zinc/36/64/16/570366416.db2.gz ITYPNQSEEGEJEL-DWAKBZQMSA-N 0 0 390.564 4.673 10 0 GJAERN Cc1oc(-c2cc(F)cc(F)c2)nc1CN1CCN(c2cc(C)ccc2C)CC1 ZINC000055074394 570464456 /nfs/dbraw/zinc/46/44/56/570464456.db2.gz BWGFBUNIGLHVHO-UHFFFAOYSA-N 0 0 397.469 4.867 10 0 GJAERN CCn1nc(C(=O)NCCc2cccs2)cc1-c1cccc(C(F)(F)F)c1 ZINC000034901476 570547262 /nfs/dbraw/zinc/54/72/62/570547262.db2.gz SDZGUCUPABSNHR-UHFFFAOYSA-N 0 0 393.434 4.623 10 0 GJAERN Cc1ccc(CNC(=O)CC2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000032974471 570562171 /nfs/dbraw/zinc/56/21/71/570562171.db2.gz ULCOWZJJQRVXQU-UHFFFAOYSA-N 0 0 393.531 4.562 10 0 GJAERN O[C@@H](C[C@@H]1c2ccccc2-c2cncn21)C1CCC(OCc2ccccc2)CC1 ZINC000207679307 570564984 /nfs/dbraw/zinc/56/49/84/570564984.db2.gz BGZYLMZZDLEDEY-SYZGEQSJSA-N 0 0 388.511 4.980 10 0 GJAERN COc1ccc(CNC(=O)c2nc(-c3ccc(C)cc3)n3c2CCCCC3)cc1 ZINC000015677695 210161732 /nfs/dbraw/zinc/16/17/32/210161732.db2.gz ANCKJVNUDIXVRQ-UHFFFAOYSA-N 0 0 389.499 4.524 10 0 GJAERN COc1cc(-c2csc3ccccc32)cc2c1OCCN(C(=O)C1CC1)C2 ZINC000014981361 210138125 /nfs/dbraw/zinc/13/81/25/210138125.db2.gz PCVNQCHBFCBMHE-UHFFFAOYSA-N 0 0 379.481 4.708 10 0 GJAERN CCCCOc1cccc(C(=O)Nc2nc3c(s2)c(OC)ccc3OC)c1 ZINC000004331193 209480963 /nfs/dbraw/zinc/48/09/63/209480963.db2.gz LGVQOGWRNOHDNZ-UHFFFAOYSA-N 0 0 386.473 4.745 10 0 GJAERN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Sc1c[nH]c2ccccc12 ZINC000002539035 209369515 /nfs/dbraw/zinc/36/95/15/209369515.db2.gz RPVOJQNEZKMSTH-SFHVURJKSA-N 0 0 396.512 4.923 10 0 GJAERN O=C(Nc1ccccc1Cl)c1cccc(C(=O)Nc2ccccc2Cl)n1 ZINC000000857456 209272780 /nfs/dbraw/zinc/27/27/80/209272780.db2.gz WRIANJVKTYZYNJ-UHFFFAOYSA-N 0 0 386.238 4.893 10 0 GJAERN O=C(CNc1cccc(C(=O)c2ccccc2)c1)Nc1ccc2cnccc2c1 ZINC000035088452 209246754 /nfs/dbraw/zinc/24/67/54/209246754.db2.gz WXQQDFFWEVOFDM-UHFFFAOYSA-N 0 0 381.435 4.516 10 0 GJAERN CCCOc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2OC)cc1OC ZINC000001918703 212062712 /nfs/dbraw/zinc/06/27/12/212062712.db2.gz IRUPOXPFUIXWJT-UXBLZVDNSA-N 0 0 375.852 4.798 10 0 GJAERN CCOc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2OC)cc1OCC ZINC000001918715 212062605 /nfs/dbraw/zinc/06/26/05/212062605.db2.gz RACNEIGHCJYSEC-YRNVUSSQSA-N 0 0 375.852 4.798 10 0 GJAERN Cc1ncc(NC(=O)c2ccc(C)cc2)n1-c1nc(-c2cccs2)cs1 ZINC000032642162 209179875 /nfs/dbraw/zinc/17/98/75/209179875.db2.gz JLEKBCBJCDNVIQ-UHFFFAOYSA-N 0 0 380.498 4.926 10 0 GJAERN CCOc1ccc(NC(=O)CSc2nc(C)c(C)n2-c2ccccc2)cc1 ZINC000003625182 204015586 /nfs/dbraw/zinc/01/55/86/204015586.db2.gz OYBLOHXFHTZAHB-UHFFFAOYSA-N 0 0 381.501 4.619 10 0 GJAERN CCCCN1C(=O)C(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)NC1=S ZINC000013679306 204502170 /nfs/dbraw/zinc/50/21/70/204502170.db2.gz AMJBQOFRORCHMP-UHFFFAOYSA-N 0 0 393.339 4.754 10 0 GJAERN COc1cccc(COc2ccc(-c3noc(-c4ccco4)n3)cc2OC)c1 ZINC000037553498 205028819 /nfs/dbraw/zinc/02/88/19/205028819.db2.gz LTUNBOVCSLVBFM-UHFFFAOYSA-N 0 0 378.384 4.593 10 0 GJAERN Cc1ccc(Nc2ncnc(Nc3ccc(Cl)c(C(F)(F)F)c3)c2N)nc1 ZINC000040797462 205072126 /nfs/dbraw/zinc/07/21/26/205072126.db2.gz ZYSBOYBPXDIRIM-UHFFFAOYSA-N 0 0 394.788 4.922 10 0 GJAERN Cc1ncc(NC(=O)c2cc(NC(=O)c3cc(C)cc(C)c3)ccc2C)s1 ZINC000040873247 205074384 /nfs/dbraw/zinc/07/43/84/205074384.db2.gz ZQMHHBVZWPGULV-UHFFFAOYSA-N 0 0 379.485 4.881 10 0 GJAERN Cc1ccc(C)c(-n2cc(CNCc3nc(C)cc(C)n3)c(-c3ccccc3)n2)c1 ZINC000055271501 205146078 /nfs/dbraw/zinc/14/60/78/205146078.db2.gz OCNQUNPXNMOLFO-UHFFFAOYSA-N 0 0 397.526 4.853 10 0 GJAERN Cc1cccc(-c2cc(C3CCN(C(=O)Nc4cccc(F)c4)CC3)[nH]n2)c1 ZINC000096386786 205564954 /nfs/dbraw/zinc/56/49/54/205564954.db2.gz SFYIFISHLIMBAP-UHFFFAOYSA-N 0 0 378.451 4.936 10 0 GJAERN Brc1ccc(Cn2ccc3nc(CCc4ccccc4)nc-3c2)cc1 ZINC000100068223 211381868 /nfs/dbraw/zinc/38/18/68/211381868.db2.gz OFMMDIGFBDMBJZ-UHFFFAOYSA-N 0 0 392.300 4.979 10 0 GJAERN Cc1ccccc1-c1nc2c(Br)cc(Br)cc2c(=O)o1 ZINC000059447511 211282388 /nfs/dbraw/zinc/28/23/88/211282388.db2.gz PMBWMJPVEVFDBI-UHFFFAOYSA-N 0 0 395.050 4.688 10 0 GJAERN CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095088137 211220234 /nfs/dbraw/zinc/22/02/34/211220234.db2.gz DZVDWETVWPMDAO-SFHVURJKSA-N 0 0 394.943 4.867 10 0 GJAERN OC[C@@H]1CCCN(c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)C1 ZINC000095078546 211218934 /nfs/dbraw/zinc/21/89/34/211218934.db2.gz STZOSMSFRSWNHY-CQSZACIVSA-N 0 0 390.314 4.600 10 0 GJAERN CC(C)(C)OC(=O)N1CCC(CCOc2nc3ccccc3nc2Cl)CC1 ZINC000095083771 211218943 /nfs/dbraw/zinc/21/89/43/211218943.db2.gz UGMDCBKJGCBBPX-UHFFFAOYSA-N 0 0 391.899 4.699 10 0 GJAERN OC[C@H]1CCCN(c2nc3ccccc3n2Cc2cc(Cl)ccc2Cl)C1 ZINC000095078553 211219100 /nfs/dbraw/zinc/21/91/00/211219100.db2.gz CZYSQXPSLJGPBX-AWEZNQCLSA-N 0 0 390.314 4.600 10 0 GJAERN CC(C)(C)OC(=O)Nc1cccc2c1c(Br)nn2[C@@H]1CCCCO1 ZINC000091302661 211191099 /nfs/dbraw/zinc/19/10/99/211191099.db2.gz NAGUFBMQLYIJMD-ZDUSSCGKSA-N 0 0 396.285 4.845 10 0 GJAERN Cc1ccc(Nc2ncnc(Nc3ncc(C(F)(F)F)cc3Cl)c2N)cc1 ZINC000040782121 210795461 /nfs/dbraw/zinc/79/54/61/210795461.db2.gz MSWDRJZPKDFSCX-UHFFFAOYSA-N 0 0 394.788 4.922 10 0 GJAERN Cc1cc(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c43)cc2)ccc1F ZINC000035324442 210680106 /nfs/dbraw/zinc/68/01/06/210680106.db2.gz HQPNLIKXAPLWBQ-UHFFFAOYSA-N 0 0 375.407 4.904 10 0 GJAERN O=C(Nc1cc(F)cc(F)c1)c1ccc(-c2cc(N3CCCCC3)ncn2)cc1 ZINC000021661518 210389980 /nfs/dbraw/zinc/38/99/80/210389980.db2.gz WZMPLIXFXAHYRH-UHFFFAOYSA-N 0 0 394.425 4.664 10 0 GJAERN COc1cc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccnc2)ccc1F ZINC000020539551 210346936 /nfs/dbraw/zinc/34/69/36/210346936.db2.gz NCVAYDFFMUMVPJ-DEOSSOPVSA-N 0 0 387.458 4.858 10 0 GJAERN Cc1ncc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(O)c2)s1 ZINC000019720997 210288530 /nfs/dbraw/zinc/28/85/30/210288530.db2.gz IAGBAMRTPZJTCE-QFIPXVFZSA-N 0 0 375.497 4.786 10 0 GJAERN COc1ccc(-c2ccc(C(=O)N[C@@H](C)c3ccccc3)s2)c(OC)c1OC ZINC000023332279 570319454 /nfs/dbraw/zinc/31/94/54/570319454.db2.gz DDWWYTAKUXBHAD-AWEZNQCLSA-N 0 0 397.496 4.932 10 0 GJAERN COc1ccc(-c2csc(/C=C/c3ccnn3C3CCOCC3)n2)cc1OC ZINC000685939112 570397659 /nfs/dbraw/zinc/39/76/59/570397659.db2.gz SQXMTICFQWEVDJ-GQCTYLIASA-N 0 0 397.500 4.546 10 0 GJAERN CCc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1 ZINC000028768129 570464130 /nfs/dbraw/zinc/46/41/30/570464130.db2.gz PBMPIGNEBFRWDQ-UHFFFAOYSA-N 0 0 395.381 4.934 10 0 GJAERN COc1ccc(-c2cc(CN(Cc3ccc(F)cc3)C(=O)C(C)C)no2)cc1 ZINC000036012090 570509387 /nfs/dbraw/zinc/50/93/87/570509387.db2.gz VXUACBAPSPRAGE-UHFFFAOYSA-N 0 0 382.435 4.674 10 0 GJAERN O[C@H](C[C@H]1c2ccccc2-c2cncn21)C1CCC(OCc2ccccc2)CC1 ZINC000207679357 570565150 /nfs/dbraw/zinc/56/51/50/570565150.db2.gz BGZYLMZZDLEDEY-ONHKWDPESA-N 0 0 388.511 4.980 10 0 GJAERN O=C(NCCc1nc2cccnc2n1C1CCCC1)Nc1ccccc1Cl ZINC000033025511 570659741 /nfs/dbraw/zinc/65/97/41/570659741.db2.gz ONHJDBSIOPAICV-UHFFFAOYSA-N 0 0 383.883 4.564 10 0 GJAERN Brc1c2nc3ccccc3nc2oc1-c1ccc2c(c1)OCCCO2 ZINC000409438558 570776191 /nfs/dbraw/zinc/77/61/91/570776191.db2.gz DAQAPBIMSTXBPN-UHFFFAOYSA-N 0 0 397.228 4.967 10 0 GJAERN C[C@H](Oc1cc(-c2cnc3ccccn32)sc1C(N)=O)c1ccccc1Cl ZINC000043016111 581098282 /nfs/dbraw/zinc/09/82/82/581098282.db2.gz TXLCIUHAUUABEX-LBPRGKRZSA-N 0 0 397.887 4.955 10 0 GJAERN CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)CC1=CCCCC1)O2 ZINC000014879809 210128746 /nfs/dbraw/zinc/12/87/46/210128746.db2.gz GDIYWDXEGKOCLE-OAQYLSRUSA-N 0 0 389.495 4.866 10 0 GJAERN C[C@H](NC(=O)c1cc(Br)c(Br)s1)c1cccs1 ZINC000014602703 210121489 /nfs/dbraw/zinc/12/14/89/210121489.db2.gz FUIJTKWSAVDUEO-LURJTMIESA-N 0 0 395.141 4.826 10 0 GJAERN O=C(c1ccc(-c2ccco2)cc1)N1CCC[C@@](CO)(CCc2ccccc2)C1 ZINC000012571934 209977223 /nfs/dbraw/zinc/97/72/23/209977223.db2.gz OODMLKCWXGDOKB-RUZDIDTESA-N 0 0 389.495 4.794 10 0 GJAERN O=C(Nc1nc2c(s1)c(Cl)ccc2Cl)c1cc(=O)c2ccccc2o1 ZINC000004331120 209480857 /nfs/dbraw/zinc/48/08/57/209480857.db2.gz NKSHCPWQVCJCSG-UHFFFAOYSA-N 0 0 391.235 4.962 10 0 GJAERN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)cnc1Cl ZINC000002564911 209369620 /nfs/dbraw/zinc/36/96/20/209369620.db2.gz YDCUZGHEYGBMIR-UHFFFAOYSA-N 0 0 395.098 4.822 10 0 GJAERN CCOc1ccc([C@@H]2C[C@@H](c3cccc(Br)c3)n3ncnc3N2)cc1 ZINC000002471940 209366497 /nfs/dbraw/zinc/36/64/97/209366497.db2.gz NAJRNCBWIZWGEZ-ROUUACIJSA-N 0 0 399.292 4.586 10 0 GJAERN NS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc(F)c(Cl)c2)cc1 ZINC000000601695 203840359 /nfs/dbraw/zinc/84/03/59/203840359.db2.gz QZOXMKNWQZCVDE-UHFFFAOYSA-N 0 0 397.805 4.739 10 0 GJAERN C[C@@H]1CC[C@@H]2[C@]3(C)COC(C)(C)O[C@@H]3CC[C@]2(C)[C@]12CC[C@@]1(CCOC1)O2 ZINC000003108778 203986690 /nfs/dbraw/zinc/98/66/90/203986690.db2.gz QETHKRDIJLVIMV-BDBYGRRGSA-N 0 0 378.553 4.699 10 0 GJAERN COc1ccc(C(=O)Nc2nc3c(s2)c(Cl)ccc3Cl)c(OC)c1 ZINC000004330934 204039918 /nfs/dbraw/zinc/03/99/18/204039918.db2.gz JFLVCPXOZNOHIN-UHFFFAOYSA-N 0 0 383.256 4.873 10 0 GJAERN O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc(-c2ccccc2)cc1 ZINC000004348311 204040054 /nfs/dbraw/zinc/04/00/54/204040054.db2.gz KYDURPGPVJETMX-UHFFFAOYSA-N 0 0 388.448 4.987 10 0 GJAERN CCOC(=O)c1ccccc1NC(=O)COc1ccc(-c2ccc(C)cc2)cc1 ZINC000005598652 204141618 /nfs/dbraw/zinc/14/16/18/204141618.db2.gz UPEGBKZRTROZFJ-UHFFFAOYSA-N 0 0 389.451 4.856 10 0 GJAERN O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc(Cl)c(Cl)c1 ZINC000006220012 204171038 /nfs/dbraw/zinc/17/10/38/204171038.db2.gz QMLWQXZMHSVAFD-UHFFFAOYSA-N 0 0 375.207 4.808 10 0 GJAERN O=C(Nc1cccc([C@@H]2SCC(=O)N2c2cccc(F)c2)c1)C1CCCC1 ZINC000006740189 204198863 /nfs/dbraw/zinc/19/88/63/204198863.db2.gz NLRMZGJIHVPGJD-NRFANRHFSA-N 0 0 384.476 4.733 10 0 GJAERN COc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)C3CCCC3)c2)cc1 ZINC000006740542 204198913 /nfs/dbraw/zinc/19/89/13/204198913.db2.gz CYXZGJGQHKHUMS-QFIPXVFZSA-N 0 0 396.512 4.603 10 0 GJAERN Cc1ccccc1NC(=O)c1cc(Br)c(Br)s1 ZINC000008206936 204265772 /nfs/dbraw/zinc/26/57/72/204265772.db2.gz RMHXIOPFUANEHJ-UHFFFAOYSA-N 0 0 375.085 4.834 10 0 GJAERN COc1ccc(-c2ccc(C(=O)N[C@H](C)c3ccccc3)s2)c(OC)c1OC ZINC000023332281 204803000 /nfs/dbraw/zinc/80/30/00/204803000.db2.gz DDWWYTAKUXBHAD-CQSZACIVSA-N 0 0 397.496 4.932 10 0 GJAERN O=C(CCc1ccccc1)N1CCC[C@H](OCc2cccc(C(F)(F)F)c2)C1 ZINC000036315214 205011298 /nfs/dbraw/zinc/01/12/98/205011298.db2.gz XNUXOGOSKJTZSK-FQEVSTJZSA-N 0 0 391.433 4.846 10 0 GJAERN COc1ccc([C@@H]2c3cccn3CCCN2Cc2cccc(Cl)c2)cc1O ZINC000036348734 205013346 /nfs/dbraw/zinc/01/33/46/205013346.db2.gz GPVSZVDCGAIXAO-JOCHJYFZSA-N 0 0 382.891 4.851 10 0 GJAERN Cc1cc(Oc2ncnc(Nc3ccc(Cl)cn3)c2N)cc(C)c1Cl ZINC000040779527 205070917 /nfs/dbraw/zinc/07/09/17/205070917.db2.gz IJMBEPHCHCNNPV-UHFFFAOYSA-N 0 0 376.247 4.913 10 0 GJAERN Nc1c(Nc2ccc(Br)cc2)ncnc1NC1CCCCCC1 ZINC000040782318 205072076 /nfs/dbraw/zinc/07/20/76/205072076.db2.gz AUPDVTLBYGBRIH-UHFFFAOYSA-N 0 0 376.302 4.700 10 0 GJAERN Cc1cccc(Nc2nnc(CC(=O)Nc3ccc(F)c(Cl)c3)s2)c1 ZINC000064757779 205193541 /nfs/dbraw/zinc/19/35/41/205193541.db2.gz QUZDKSOMXNREQJ-UHFFFAOYSA-N 0 0 376.844 4.564 10 0 GJAERN CCc1ccc(CCC(=O)Nc2c(C)nn(C)c2Oc2cccc(F)c2)cc1 ZINC000065579039 205237950 /nfs/dbraw/zinc/23/79/50/205237950.db2.gz ZPKBORWWIJGSII-UHFFFAOYSA-N 0 0 381.451 4.794 10 0 GJAERN COc1cccc(NC(=O)N2CCC(c3cc(-c4cccc(C)c4)n[nH]3)CC2)c1 ZINC000065225930 205219677 /nfs/dbraw/zinc/21/96/77/205219677.db2.gz UGSUKOCOCIJNIK-UHFFFAOYSA-N 0 0 390.487 4.805 10 0 GJAERN Cn1cnc(-c2ccc(F)cc2)c1NC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000225461941 206049420 /nfs/dbraw/zinc/04/94/20/206049420.db2.gz VHQFOHXQTDSTNU-UHFFFAOYSA-N 0 0 380.810 4.680 10 0 GJAERN C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1Br ZINC000007651570 206221364 /nfs/dbraw/zinc/22/13/64/206221364.db2.gz UAUSODWJSJNKDK-NSHDSACASA-N 0 0 386.211 4.888 10 0 GJAERN CCN1C(=O)/C(=C/C=C2/Sc3c4ccccc4sc3N2CC)OC1=S ZINC000103628645 211430102 /nfs/dbraw/zinc/43/01/02/211430102.db2.gz JXTHKTPCTHRRDX-SPEXVAAVSA-N 0 0 388.539 4.722 10 0 GJAERN CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccccc2Cl)NC(=O)N1C ZINC000096336115 211336657 /nfs/dbraw/zinc/33/66/57/211336657.db2.gz PDZOCGNGGXDKBA-QGZVFWFLSA-N 0 0 390.270 4.602 10 0 GJAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOc1nc2ccccc2nc1Cl ZINC000095086364 211218940 /nfs/dbraw/zinc/21/89/40/211218940.db2.gz YEISSGQROMVOFT-CQSZACIVSA-N 0 0 391.899 4.842 10 0 GJAERN CC(C)(C)OC(=O)Nc1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1N ZINC000089194887 211180007 /nfs/dbraw/zinc/18/00/07/211180007.db2.gz UMXZJQQGNZVJNU-UHFFFAOYSA-N 0 0 389.496 4.640 10 0 GJAERN Cc1c2c(c(C)c(C)c1O)O[C@](C)(Cn1ccc(-c3cccc4c3NCC4)n1)C2 ZINC000089210190 211179806 /nfs/dbraw/zinc/17/98/06/211179806.db2.gz VCHLOXNJHQTUKZ-DEOSSOPVSA-N 0 0 389.499 4.543 10 0 GJAERN CSc1ccc(NC(=O)N2CC=C(c3cn(C)c4ncccc34)CC2)cc1 ZINC000065211734 210975657 /nfs/dbraw/zinc/97/56/57/210975657.db2.gz JWRPCTAJCHZFOT-UHFFFAOYSA-N 0 0 378.501 4.616 10 0 GJAERN Cc1ccc(Cn2c3cc(C(=O)NCCC4=CCCCC4)ccc3oc2=O)cc1 ZINC000064894548 210953873 /nfs/dbraw/zinc/95/38/73/210953873.db2.gz YINRIQVGQWKVEZ-UHFFFAOYSA-N 0 0 390.483 4.572 10 0 GJAERN Cc1ccc(CNc2ncnc(N(Cc3ccccc3)c3ccccn3)c2N)cc1 ZINC000040783792 210795324 /nfs/dbraw/zinc/79/53/24/210795324.db2.gz UHXYSMTURMEQMD-UHFFFAOYSA-N 0 0 396.498 4.713 10 0 GJAERN Nc1c(Nc2ccc(Cl)cn2)ncnc1Nc1ccc(Cl)cc1Cl ZINC000040779386 210795073 /nfs/dbraw/zinc/79/50/73/210795073.db2.gz QGYCSBKALWDKDU-UHFFFAOYSA-N 0 0 381.654 4.901 10 0 GJAERN CCn1nc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cccc(OC)c1 ZINC000034901377 210670611 /nfs/dbraw/zinc/67/06/11/210670611.db2.gz BEEYRRJYUUMZNG-UHFFFAOYSA-N 0 0 389.377 4.850 10 0 GJAERN O[C@@H]1CCc2cccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2C1 ZINC000029127392 210542462 /nfs/dbraw/zinc/54/24/62/210542462.db2.gz FLGSROIZNLRZES-MRXNPFEDSA-N 0 0 385.389 4.756 10 0 GJAERN CCN(Cc1ccc(Br)s1)C(=O)c1cc(Cl)nc(Cl)c1 ZINC000037976498 210394800 /nfs/dbraw/zinc/39/48/00/210394800.db2.gz IXODMZRVPZAKLQ-UHFFFAOYSA-N 0 0 394.121 4.875 10 0 GJAERN Cc1c(Cl)cccc1Nc1c2[nH]cccc-2c(=O)n1Cc1ccc(F)cc1 ZINC000021104337 210376970 /nfs/dbraw/zinc/37/69/70/210376970.db2.gz GXZWWYIUVGUZFR-FQEVSTJZSA-N 0 0 381.838 4.949 10 0 GJAERN Fc1ccc(F)c([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cccnc2)c1 ZINC000019788697 210296632 /nfs/dbraw/zinc/29/66/32/210296632.db2.gz BEJKZVKCVUAPQG-HSZRJFAPSA-N 0 0 375.422 4.989 10 0 GJAERN CCCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Oc2ccccc2)C[C@H]1C ZINC000073655056 521431609 /nfs/dbraw/zinc/43/16/09/521431609.db2.gz FKAZEOHFKPHSKO-SJLPKXTDSA-N 0 0 376.497 4.543 10 0 GJAERN CCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccc(Cl)c1Cl ZINC000001849578 570460818 /nfs/dbraw/zinc/46/08/18/570460818.db2.gz REQRUBNOOIAHMG-UHFFFAOYSA-N 0 0 382.243 4.636 10 0 world GJAERN CC(C)NC(=O)c1coc(CN(Cc2ccccc2)Cc2cccc(Cl)c2)n1 ZINC000036072281 570528157 /nfs/dbraw/zinc/52/81/57/570528157.db2.gz YEWPYJVEDWVDLA-UHFFFAOYSA-N 0 0 397.906 4.669 10 0 GJAERN C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000003045819 570680452 /nfs/dbraw/zinc/68/04/52/570680452.db2.gz BZKQELJXLVAYFN-CZUORRHYSA-N 0 0 391.968 4.861 10 0 GJAERN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H]([NH3+])CO ZINC000095871139 571094992 /nfs/dbraw/zinc/09/49/92/571094992.db2.gz CKNOUMOYIGNOBN-NZRYSPDRSA-N 0 0 377.569 4.995 10 0 GJAERN Cc1ccc(C(=O)Nc2ccccc2)cc1Nc1ncccc1-c1ccncn1 ZINC000014957199 210133732 /nfs/dbraw/zinc/13/37/32/210133732.db2.gz QJPWLLXUZHFJGQ-UHFFFAOYSA-N 0 0 381.439 4.843 10 0 GJAERN CCn1nnc2cc(C(=O)Nc3ccccc3-c3nc4ccccc4s3)ccc21 ZINC000014604041 210121950 /nfs/dbraw/zinc/12/19/50/210121950.db2.gz UMKHGIJZCNFLFM-UHFFFAOYSA-N 0 0 399.479 4.980 10 0 GJAERN Cc1cc(C)nc(N(C)c2ccc(C(C)C)cc2I)n1 ZINC000013794667 210090522 /nfs/dbraw/zinc/09/05/22/210090522.db2.gz ZHKMPZIOTNOMOD-UHFFFAOYSA-N 0 0 381.261 4.589 10 0 GJAERN O=C(c1ccc(Cl)cc1)[C@H]1CCCN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000012757683 210002882 /nfs/dbraw/zinc/00/28/82/210002882.db2.gz DQWOYLXISLTHQD-IBGZPJMESA-N 0 0 379.891 4.621 10 0 GJAERN COC(=O)c1cc(Br)ccc1NC(=O)/C=C/c1ccccc1Cl ZINC000005660506 209608014 /nfs/dbraw/zinc/60/80/14/209608014.db2.gz MEWUHTUWFYJTTR-RMKNXTFCSA-N 0 0 394.652 4.541 10 0 GJAERN CC(C)CN(CC(C)C)c1nnc(NC(=O)c2csc3c2CCCC3)s1 ZINC000005132784 209572812 /nfs/dbraw/zinc/57/28/12/209572812.db2.gz NSOGHFQLXQMAQJ-UHFFFAOYSA-N 0 0 392.594 4.849 10 0 GJAERN COC(=O)c1c(NC(=O)c2ccccc2OC)sc(C)c1-c1ccccc1 ZINC000001973844 209344085 /nfs/dbraw/zinc/34/40/85/209344085.db2.gz XLFHPDNQVWCRMN-UHFFFAOYSA-N 0 0 381.453 4.771 10 0 GJAERN O=C(Nc1nnc(CCc2ccccc2)s1)c1ccc(Cl)c(Cl)c1 ZINC000001063490 209295647 /nfs/dbraw/zinc/29/56/47/209295647.db2.gz FXWTVEONJNNUAF-UHFFFAOYSA-N 0 0 378.284 4.882 10 0 GJAERN Cc1ccc(C(=O)N/C(=C/c2ccccc2Cl)C(=O)NC2CCCCC2)cc1 ZINC000000978099 209285302 /nfs/dbraw/zinc/28/53/02/209285302.db2.gz AOGWELPDRSGJSE-RCCKNPSSSA-N 0 0 396.918 4.868 10 0 GJAERN CC(C)OC(=O)[C@@H](C)Sc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000000938346 209280696 /nfs/dbraw/zinc/28/06/96/209280696.db2.gz QXEYAMVQAVJTTC-LLVKDONJSA-N 0 0 376.478 4.930 10 0 GJAERN CSCC[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1 ZINC000016681155 209236095 /nfs/dbraw/zinc/23/60/95/209236095.db2.gz QNKCJHDZQDAWKI-HXUWFJFHSA-N 0 0 392.528 4.587 10 0 GJAERN COc1ncc(-c2cccc(C=O)c2)c2c(OC(=O)c3ccccc3)cccc12 ZINC000090555790 203829846 /nfs/dbraw/zinc/82/98/46/203829846.db2.gz OANVWIQWMJGHHH-UHFFFAOYSA-N 0 0 383.403 4.942 10 0 GJAERN O=C(Nc1nc2c(cc(Cl)cc2Cl)s1)c1cc2ccccc2oc1=O ZINC000004331132 204038874 /nfs/dbraw/zinc/03/88/74/204038874.db2.gz FTIVYINIXARMIJ-UHFFFAOYSA-N 0 0 391.235 4.962 10 0 GJAERN Cc1cccc(NC(=O)c2cnn3c2nc(-c2ccco2)cc3C(F)(F)F)c1 ZINC000004602897 204057454 /nfs/dbraw/zinc/05/74/54/204057454.db2.gz MKTKNGCRLWWADR-UHFFFAOYSA-N 0 0 386.333 4.569 10 0 GJAERN O=C(OC1CCCCC1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000005260232 204122458 /nfs/dbraw/zinc/12/24/58/204122458.db2.gz XANCZTCMOQFLMC-UHFFFAOYSA-N 0 0 393.892 4.630 10 0 GJAERN CN(C)c1ccc([C@H]2C[C@H](N3CCCC3=O)Oc3ccc4ccccc4c32)cc1 ZINC000005328728 204125624 /nfs/dbraw/zinc/12/56/24/204125624.db2.gz ZTFGNJVMLAXDNH-ZJSXRUAMSA-N 0 0 386.495 4.769 10 0 GJAERN COc1cc(NC(=O)c2c(C)cc(C)cc2C)c(OC)cc1Br ZINC000006188605 204169467 /nfs/dbraw/zinc/16/94/67/204169467.db2.gz ORQBHIYRPYCORN-UHFFFAOYSA-N 0 0 378.266 4.644 10 0 GJAERN Cc1ccc(OCC(=O)c2ccc(Br)s2)c(Br)c1 ZINC000006346119 204174188 /nfs/dbraw/zinc/17/41/88/204174188.db2.gz VPYXPFPEZNPYCN-UHFFFAOYSA-N 0 0 390.096 4.843 10 0 GJAERN O=C(Cn1c(Cc2cccs2)nc2ccccc21)Nc1ccc(Cl)cc1 ZINC000008787039 204291272 /nfs/dbraw/zinc/29/12/72/204291272.db2.gz XJXRVEJGTPGJPP-UHFFFAOYSA-N 0 0 381.888 4.981 10 0 GJAERN c1c(CNc2nncc(-c3ccc(C4CCCCC4)cc3)n2)nc2n1CCS2 ZINC000011819438 204356299 /nfs/dbraw/zinc/35/62/99/204356299.db2.gz RXHNEEVDMMHJPM-UHFFFAOYSA-N 0 0 392.532 4.501 10 0 GJAERN O=C(c1n[nH]c2c1CCC2)N1CCc2c3ccccc3[nH]c2[C@H]1C1CCCCC1 ZINC000012303457 204393685 /nfs/dbraw/zinc/39/36/85/204393685.db2.gz ITRIPRBACGZJNN-HSZRJFAPSA-N 0 0 388.515 4.700 10 0 GJAERN COc1ccc(-c2nc3cc(C)ccc3o2)cc1NC(=O)NCc1ccco1 ZINC000015864453 204581413 /nfs/dbraw/zinc/58/14/13/204581413.db2.gz JTGBBHXARCLMNZ-UHFFFAOYSA-N 0 0 377.400 4.727 10 0 GJAERN C[C@@H]1Oc2ccc(NC(=O)c3cccc(F)c3)cc2CN(C2CCCCC2)C1=O ZINC000035883713 204998874 /nfs/dbraw/zinc/99/88/74/204998874.db2.gz WFDHKZUEYGBEHW-HNNXBMFYSA-N 0 0 396.462 4.520 10 0 GJAERN O=C(Nc1c(F)cccc1F)c1cc(Br)c(Br)s1 ZINC000045829257 205097950 /nfs/dbraw/zinc/09/79/50/205097950.db2.gz DFDQVVIGRZJXNO-UHFFFAOYSA-N 0 0 397.038 4.804 10 0 GJAERN Cc1nc(Nc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)sc1C ZINC000040783120 205072422 /nfs/dbraw/zinc/07/24/22/205072422.db2.gz XLUHPNMJBBCGHG-UHFFFAOYSA-N 0 0 375.885 4.938 10 0 GJAERN Cc1c(C(=O)NCc2cccnc2)oc2c1C1(CC(C)(C)C2)SCCS1 ZINC000040802907 205072761 /nfs/dbraw/zinc/07/27/61/205072761.db2.gz MFCIKPDCODWDQN-UHFFFAOYSA-N 0 0 388.558 4.518 10 0 GJAERN CN(C(=O)Cc1noc2ccccc21)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000058680132 205177255 /nfs/dbraw/zinc/17/72/55/205177255.db2.gz QURREXBCXISNBR-QFIPXVFZSA-N 0 0 396.874 4.521 10 0 GJAERN CC(C)(C)OC(=O)N1CCC([S@](=O)c2ccc(Cl)cc2Cl)CC1 ZINC000083263690 205389388 /nfs/dbraw/zinc/38/93/88/205389388.db2.gz HDYOGDFWKFVXDU-HSZRJFAPSA-N 0 0 378.321 4.501 10 0 GJAERN CC1(C)CO[C@]2(CC[C@]3(C)[C@@H]4CC[C@@]5(C)[C@H](O)CC[C@@H]5[C@H]4CC[C@H]3C2)N1O ZINC000253598138 206149363 /nfs/dbraw/zinc/14/93/63/206149363.db2.gz CEGKCAAZUMATHD-XNBYIVGUSA-N 0 0 377.569 4.586 10 0 GJAERN Cc1cc(I)cc2c1N(C(=O)OC(C)(C)C)[C@@H](C)CC2 ZINC000299889449 206193898 /nfs/dbraw/zinc/19/38/98/206193898.db2.gz JOIYEQCXLZEUKR-NSHDSACASA-N 0 0 387.261 4.676 10 0 GJAERN CCOC(=O)c1sc(Br)nc1Cc1ccc(Cl)cc1Cl ZINC000098177743 211379258 /nfs/dbraw/zinc/37/92/58/211379258.db2.gz FSBHXIPVBCDNTC-UHFFFAOYSA-N 0 0 395.105 4.980 10 0 GJAERN CCC(CC)NC(=O)c1cnc(-c2noc3cc(-c4ccncc4)ccc32)s1 ZINC000096154544 211311387 /nfs/dbraw/zinc/31/13/87/211311387.db2.gz MJRJEIGUTQVURW-UHFFFAOYSA-N 0 0 392.484 4.932 10 0 GJAERN CCc1cccc(NC(=O)N2CC[C@@H](c3nc4ccncc4n3C(C)C)C2)c1 ZINC000096125316 211303790 /nfs/dbraw/zinc/30/37/90/211303790.db2.gz AYGKJMLLOKETKK-QGZVFWFLSA-N 0 0 377.492 4.596 10 0 GJAERN Cc1cc(NC(=O)/C=C/c2ccccc2)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000073666852 211127524 /nfs/dbraw/zinc/12/75/24/211127524.db2.gz NQKGIDVAAXZQET-OUKQBFOZSA-N 0 0 386.480 4.956 10 0 GJAERN Cc1cc(C(F)(F)F)cc(-c2cc(NCc3ccncc3)nc3[nH]ccc32)n1 ZINC000072475759 211124620 /nfs/dbraw/zinc/12/46/20/211124620.db2.gz WVYXGLWDMYDYAK-UHFFFAOYSA-N 0 0 383.377 4.959 10 0 GJAERN C[C@H](Oc1cccc(I)c1)C(=O)c1ccc(Cl)cc1 ZINC000070133170 211040308 /nfs/dbraw/zinc/04/03/08/211040308.db2.gz BVTUMAQBASHLIE-JTQLQIEISA-N 0 0 386.616 4.595 10 0 GJAERN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)N(c1ccc(O)cc1)C2=O ZINC000066088136 211000852 /nfs/dbraw/zinc/00/08/52/211000852.db2.gz MLDHAELGPBRURI-QFIPXVFZSA-N 0 0 381.435 4.636 10 0 GJAERN Cc1cccc(Nc2nccc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 ZINC000065148028 210969228 /nfs/dbraw/zinc/96/92/28/210969228.db2.gz OSYMSZXSTWQGKC-GOSISDBHSA-N 0 0 390.462 4.688 10 0 GJAERN O=C(CSc1nccnc1Sc1ccccc1)NCCC1=CCCCC1 ZINC000033168946 210629093 /nfs/dbraw/zinc/62/90/93/210629093.db2.gz LLFRJUROGGWPKE-UHFFFAOYSA-N 0 0 385.558 4.727 10 0 GJAERN COc1ccc(NC(=S)N(Cc2cccnc2)Cc2cccnc2)cc1Cl ZINC000020258700 210324801 /nfs/dbraw/zinc/32/48/01/210324801.db2.gz JDSIRTJCJSWERX-UHFFFAOYSA-N 0 0 398.919 4.538 10 0 GJAERN CC(C)CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)Oc2ccccc2)C[C@H]1C ZINC000073655158 519706696 /nfs/dbraw/zinc/70/66/96/519706696.db2.gz OYYFEPUOUBUBTP-MJGOQNOKSA-N 0 0 390.524 4.789 10 0 GJAERN CC(C)c1ccc(-c2nnc3n2c2ccccc2c(=O)n3Cc2ccccc2)cc1 ZINC000006781143 570283797 /nfs/dbraw/zinc/28/37/97/570283797.db2.gz ANIDYKWVHAMWSY-UHFFFAOYSA-N 0 0 394.478 4.883 10 0 GJAERN COc1cc(C(=O)O[C@H]2CC(C)=CCC/C(C)=C/[C@H](O)[C@@H]2C(C)C)ccc1O ZINC000582764818 570420928 /nfs/dbraw/zinc/42/09/28/570420928.db2.gz OLJDCWYDXLXFJK-CXBJLCOZSA-N 0 0 388.504 4.636 10 0 GJAERN CC(C)c1nnc(-c2ccc(-c3ccccc3)nc2)n1-c1cccc2nonc21 ZINC000136229057 570472722 /nfs/dbraw/zinc/47/27/22/570472722.db2.gz FQGLDGKVKDPVLO-UHFFFAOYSA-N 0 0 382.427 4.656 10 0 in-vitro GJAERN CCN(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCCC1 ZINC000006689450 570532812 /nfs/dbraw/zinc/53/28/12/570532812.db2.gz BJXIHBOFZSNMPJ-UHFFFAOYSA-N 0 0 380.319 4.777 10 0 GJAERN CCOc1cc(CN2CCCn3cccc3[C@H]2c2ccc(F)c(F)c2)ccc1O ZINC000036348679 570631036 /nfs/dbraw/zinc/63/10/36/570631036.db2.gz HHBPJNPBCSQIGX-HSZRJFAPSA-N 0 0 398.453 4.866 10 0 GJAERN C[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000003045817 570680348 /nfs/dbraw/zinc/68/03/48/570680348.db2.gz BZKQELJXLVAYFN-XJKSGUPXSA-N 0 0 391.968 4.861 10 0 GJAERN COc1ccc2c(C[NH2+]C3CCCC3)c(C(=O)[O-])n(Cc3cccc(F)c3)c2c1 ZINC000006901209 570696988 /nfs/dbraw/zinc/69/69/88/570696988.db2.gz QFKHCSIQTQXTQJ-UHFFFAOYSA-N 0 0 396.462 4.568 10 0 GJAERN COc1ccc(-c2c[nH]c(-c3cccc(CNC(=O)C4CCCCC4)c3)n2)cc1 ZINC000023305014 570796237 /nfs/dbraw/zinc/79/62/37/570796237.db2.gz FWKFQISSZNEKIO-UHFFFAOYSA-N 0 0 389.499 4.949 10 0 GJAERN O=c1c2cc(F)ccc2nc(CNc2ccccc2F)n1-c1ccccc1Cl ZINC000013862781 210095298 /nfs/dbraw/zinc/09/52/98/210095298.db2.gz CRTCTLBOOPUUJU-UHFFFAOYSA-N 0 0 397.812 4.929 10 0 GJAERN C[C@H](CCCC(C)(C)O)NC(=O)c1ccc2oc(CCc3ccccc3)nc2c1 ZINC000012439217 209957858 /nfs/dbraw/zinc/95/78/58/209957858.db2.gz XNBRKEDLFOXJNP-QGZVFWFLSA-N 0 0 394.515 4.673 10 0 GJAERN Clc1ncn(Cc2nnc(SCc3ccc(Cl)cc3)o2)c1Cl ZINC000002156782 209348277 /nfs/dbraw/zinc/34/82/77/209348277.db2.gz PGHNTHQBDTXNAM-UHFFFAOYSA-N 0 0 375.668 4.567 10 0 GJAERN CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)c1ccncc1 ZINC000001979042 209343460 /nfs/dbraw/zinc/34/34/60/209343460.db2.gz UGIXENRELQYMQD-UHFFFAOYSA-N 0 0 380.469 4.802 10 0 GJAERN COC(=O)c1c(NC(=O)c2cccc(OC)c2)sc(C)c1-c1ccccc1 ZINC000001973998 209343307 /nfs/dbraw/zinc/34/33/07/209343307.db2.gz HBLAEBMNOOAPRK-UHFFFAOYSA-N 0 0 381.453 4.771 10 0 GJAERN CCCOc1ccccc1/C=C/C(=O)Nc1sc(C)c(C)c1C(=O)OCC ZINC000001927432 209342362 /nfs/dbraw/zinc/34/23/62/209342362.db2.gz HEZJKVWDSGENCX-VAWYXSNFSA-N 0 0 387.501 4.982 10 0 GJAERN FC(F)(F)c1ccc(-c2nc(-c3ccccc3)ncc2-c2ccncn2)cn1 ZINC000001502634 209330665 /nfs/dbraw/zinc/33/06/65/209330665.db2.gz ALLAZXRIGPECGQ-UHFFFAOYSA-N 0 0 379.345 4.681 10 0 GJAERN CCOc1ccc(Br)cc1C=CC(=O)Nc1cccc(C(C)=O)c1 ZINC000001924811 203924142 /nfs/dbraw/zinc/92/41/42/203924142.db2.gz MFSYSICJILCRIM-JXMROGBWSA-N 0 0 388.261 4.702 10 0 GJAERN CC(C)(O)/C(=C\C(F)(F)F)SCCS/C(=C/C(F)(F)F)C(C)(C)O ZINC000005379360 204129241 /nfs/dbraw/zinc/12/92/41/204129241.db2.gz FAUKBFTZDZYVFM-FIFLTTCUSA-N 0 0 398.434 4.887 10 0 GJAERN Cc1ccc(Cl)cc1NC(=O)CCC(=O)N1C[C@H](C)Sc2ccccc21 ZINC000006857568 204215866 /nfs/dbraw/zinc/21/58/66/204215866.db2.gz AZXIGSYDENCXIR-AWEZNQCLSA-N 0 0 388.920 4.895 10 0 GJAERN CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NC(=O)C1CCCCC1 ZINC000067889964 204258212 /nfs/dbraw/zinc/25/82/12/204258212.db2.gz OVZHRUHFVVIDSQ-GCJKJVERSA-N 0 0 396.531 4.907 10 0 GJAERN O=C(NC1CCCCCC1)c1cc(Br)c(Br)s1 ZINC000008085154 204261370 /nfs/dbraw/zinc/26/13/70/204261370.db2.gz PTMZIHLKYFGVFO-UHFFFAOYSA-N 0 0 381.133 4.726 10 0 GJAERN O=C(NCCc1ccccc1)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1 ZINC000034831060 204977430 /nfs/dbraw/zinc/97/74/30/204977430.db2.gz YFBRIQYKAWXELH-UHFFFAOYSA-N 0 0 375.859 4.627 10 0 GJAERN Cc1ccc2c(cccc2Nc2ncnc(Nc3cc(F)ccc3F)c2N)n1 ZINC000040800197 205072301 /nfs/dbraw/zinc/07/23/01/205072301.db2.gz KQVCNEKCMIHBMU-UHFFFAOYSA-N 0 0 378.386 4.681 10 0 GJAERN Nc1c(Nc2ccc(Br)cc2F)ncnc1Sc1ccccc1 ZINC000040783209 205072772 /nfs/dbraw/zinc/07/27/72/205072772.db2.gz YDUQOJGKQYCSPD-UHFFFAOYSA-N 0 0 391.269 4.855 10 0 GJAERN COc1ccc(C(=O)Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000040883311 205073933 /nfs/dbraw/zinc/07/39/33/205073933.db2.gz QSIJSACPMWTAIL-UHFFFAOYSA-N 0 0 381.815 4.820 10 0 GJAERN COC(=O)CN1CCC(n2cc(-c3ccc(F)cc3)c3cc(C)ccc32)CC1 ZINC000059051486 205178478 /nfs/dbraw/zinc/17/84/78/205178478.db2.gz OKNIETPCDGTPJB-UHFFFAOYSA-N 0 0 380.463 4.566 10 0 GJAERN CC(C)n1c(=O)[nH]c2cc(-c3noc(-c4ccccc4C(F)(F)F)n3)ccc21 ZINC000064891161 205199994 /nfs/dbraw/zinc/19/99/94/205199994.db2.gz HBUMULRRUQIPJN-UHFFFAOYSA-N 0 0 388.349 4.646 10 0 GJAERN O=C(Nc1ccc(NC(=O)c2ccccc2Cl)c(Cl)c1)c1ccccn1 ZINC000066076277 205239285 /nfs/dbraw/zinc/23/92/85/205239285.db2.gz MTELUFOIWGSEFF-UHFFFAOYSA-N 0 0 386.238 4.893 10 0 GJAERN COc1ccc(-c2csc3ncnc(N4CCO[C@H]5CCCC[C@H]54)c23)cc1 ZINC000230167988 206112280 /nfs/dbraw/zinc/11/22/80/206112280.db2.gz BNCBDHOZSCUXRX-MSOLQXFVSA-N 0 0 381.501 4.515 10 0 GJAERN C[C@H](NC(=O)c1cccc(Br)c1)c1ccccc1Br ZINC000070134430 211040903 /nfs/dbraw/zinc/04/09/03/211040903.db2.gz JEUGWVTZSQDTCC-JTQLQIEISA-N 0 0 383.083 4.703 10 0 GJAERN Brc1cccc(Nc2ncnc3cnc(N4CCCCC4)cc32)c1 ZINC000148543772 532969240 /nfs/dbraw/zinc/96/92/40/532969240.db2.gz DUCQQIHFCRFOCR-UHFFFAOYSA-N 0 0 384.281 4.521 10 0 GJAERN Cc1nc2sc(-c3ccccc3)cc2c(=O)n1[C@@H](C)C(=O)OC1CCCCC1 ZINC000012127147 221156763 /nfs/dbraw/zinc/15/67/63/221156763.db2.gz VCUZFXGHQHBWJG-AWEZNQCLSA-N 0 0 396.512 4.870 10 0 GJAERN C[Si](C)(c1ccccc1CO)c1cccc2cc(OCc3ccccc3)ccc21 ZINC000504666882 533592402 /nfs/dbraw/zinc/59/24/02/533592402.db2.gz IZPAWTYDNCIOKU-UHFFFAOYSA-N 0 0 398.578 4.734 10 0 GJAERN Fc1ccccc1N1CCN(c2nc3ccccc3c(Nc3ccccc3)n2)CC1 ZINC000072260391 136167779 /nfs/dbraw/zinc/16/77/79/136167779.db2.gz SPVRVRXWAZPODH-UHFFFAOYSA-N 0 0 399.473 4.839 10 0 GJAERN Cc1ccc(C2=CSC3=NNC(c4ccc(Br)cc4)=CN23)cc1 ZINC000005682732 570451575 /nfs/dbraw/zinc/45/15/75/570451575.db2.gz HKPAFEGHLTVLRI-UHFFFAOYSA-N 0 0 384.302 4.978 10 0 GJAERN O=C(CSc1ccc(Cl)cc1)Nc1nnc(CCc2ccccc2)s1 ZINC000005946909 570462593 /nfs/dbraw/zinc/46/25/93/570462593.db2.gz QUMOJFHOVISCSQ-UHFFFAOYSA-N 0 0 389.933 4.708 10 0 GJAERN O=C(c1ccccc1)c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1 ZINC000006222807 570472744 /nfs/dbraw/zinc/47/27/44/570472744.db2.gz VPKWNECNLRMZEV-UHFFFAOYSA-N 0 0 388.444 4.839 10 0 GJAERN S=C(NC[C@@H]1CCCO1)N(Cc1ccco1)Cc1ccc(Cl)cc1Cl ZINC000006526979 570482834 /nfs/dbraw/zinc/48/28/34/570482834.db2.gz XKZQXFYOKDVBGY-HNNXBMFYSA-N 0 0 399.343 4.642 10 0 GJAERN COc1ccc([C@@H]2c3cccn3CCCN2Cc2ccc(Cl)cc2)cc1O ZINC000036348731 570630850 /nfs/dbraw/zinc/63/08/50/570630850.db2.gz SWOKKWHCMGEKMF-JOCHJYFZSA-N 0 0 382.891 4.851 10 0 GJAERN Cc1ccc(CN(Cc2ccncc2)Cc2ccc(F)cc2)n1-c1cccnc1 ZINC000055042163 570680216 /nfs/dbraw/zinc/68/02/16/570680216.db2.gz AGGLXOHZVBGGGF-UHFFFAOYSA-N 0 0 386.474 4.917 10 0 GJAERN C[C@@H](CNC(=O)c1ccc(N2CCSc3ncccc32)s1)c1ccccc1 ZINC000015769754 210167524 /nfs/dbraw/zinc/16/75/24/210167524.db2.gz GWICAYNQFVIVPE-HNNXBMFYSA-N 0 0 395.553 4.920 10 0 GJAERN O=C(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)Nc1cc(F)ccc1F ZINC000013609267 210072237 /nfs/dbraw/zinc/07/22/37/210072237.db2.gz NXCJOUQOMPUISU-UHFFFAOYSA-N 0 0 395.413 4.666 10 0 GJAERN CCc1ccc(CN(C)Cc2nc(-c3ccc(OC)cc3OC)oc2C)cc1 ZINC000012752542 210000553 /nfs/dbraw/zinc/00/05/53/210000553.db2.gz MRNRYKRUDYSPRW-UHFFFAOYSA-N 0 0 380.488 4.862 10 0 GJAERN CCCOc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCO4)n2)cc1 ZINC000007799843 209747596 /nfs/dbraw/zinc/74/75/96/209747596.db2.gz FCPGKAUNRPDBLU-UHFFFAOYSA-N 0 0 382.441 4.580 10 0 GJAERN COc1ccc2c(c1)CCC1=C2Oc2ccccc2[C@@H]1n1nnc2ccccc21 ZINC000005361373 209589560 /nfs/dbraw/zinc/58/95/60/209589560.db2.gz RRUPNJQXAQPNOJ-QHCPKHFHSA-N 0 0 381.435 4.779 10 0 GJAERN CCOC(=O)c1c(-c2ccccc2)nc(-c2ccccc2)nc1N1CCCCC1 ZINC000090464076 209237349 /nfs/dbraw/zinc/23/73/49/209237349.db2.gz FMUZEKVVGYBFGI-UHFFFAOYSA-N 0 0 387.483 4.978 10 0 GJAERN CCCOc1ccc(C(=O)CCC(=O)OCc2ncc(-c3ccccc3)o2)cc1 ZINC000007977588 209190589 /nfs/dbraw/zinc/19/05/89/209190589.db2.gz AVLLSXLLLVMXOJ-UHFFFAOYSA-N 0 0 393.439 4.837 10 0 GJAERN Cc1cccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)c1 ZINC000003012954 203981370 /nfs/dbraw/zinc/98/13/70/203981370.db2.gz RGVCEYINZICWDW-ZBFHGGJFSA-N 0 0 390.365 4.697 10 0 GJAERN COc1cccc(OC)c1C(=O)Nc1nc2c(cc(Cl)cc2Cl)s1 ZINC000004331427 204039598 /nfs/dbraw/zinc/03/95/98/204039598.db2.gz HIKTZQIBXZRTDF-UHFFFAOYSA-N 0 0 383.256 4.873 10 0 GJAERN COc1ccc2c(c1)CCC1=C2Oc2ccccc2[C@H]1n1nnc2ccccc21 ZINC000005361376 204128471 /nfs/dbraw/zinc/12/84/71/204128471.db2.gz RRUPNJQXAQPNOJ-HSZRJFAPSA-N 0 0 381.435 4.779 10 0 GJAERN CCc1ccc(Nc2nnc(CSc3ccc(F)cc3)c(=O)n2C2CC2)cc1 ZINC000334161759 209178096 /nfs/dbraw/zinc/17/80/96/209178096.db2.gz FOXCUIDMPSENOI-UHFFFAOYSA-N 0 0 396.491 4.711 10 0 GJAERN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1ccccc1[C@H](C)CC ZINC000010684120 204338141 /nfs/dbraw/zinc/33/81/41/204338141.db2.gz IQAOGLTUBRFJTC-IAGOWNOFSA-N 0 0 382.504 4.746 10 0 GJAERN Cc1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000038201234 205036491 /nfs/dbraw/zinc/03/64/91/205036491.db2.gz TYZZDHCNONSAPG-HAHDFKILSA-N 0 0 398.462 4.667 10 0 GJAERN O=C(NCCc1cccc(OC(F)(F)F)c1)c1cccc(-c2ccns2)c1 ZINC000042750457 205080769 /nfs/dbraw/zinc/08/07/69/205080769.db2.gz FXFZMPDYTWAMTG-UHFFFAOYSA-N 0 0 392.402 4.681 10 0 GJAERN Nc1c(Nc2ccc(F)cc2F)ncnc1Nc1ccccc1Br ZINC000040781468 205072513 /nfs/dbraw/zinc/07/25/13/205072513.db2.gz DETRYDXGRGMMIN-UHFFFAOYSA-N 0 0 392.207 4.587 10 0 GJAERN CC(=O)c1ccc(Nc2ncnc(Nc3ccc(Br)cc3)c2N)cc1 ZINC000040782243 205073322 /nfs/dbraw/zinc/07/33/22/205073322.db2.gz KYAZLYDUWWDOSZ-UHFFFAOYSA-N 0 0 398.264 4.511 10 0 GJAERN Cc1sc2c(ncn(C3CCCCC3)c2=O)c1C(=O)Nc1ccc(F)cc1 ZINC000065297694 205227796 /nfs/dbraw/zinc/22/77/96/205227796.db2.gz GURQBKQYRUSCBW-UHFFFAOYSA-N 0 0 385.464 4.663 10 0 GJAERN Brc1cccc(-c2nn3c(c2-c2ccnc4ccccc42)CCC3)n1 ZINC000095919569 211283081 /nfs/dbraw/zinc/28/30/81/211283081.db2.gz KZMBKCUGOJXAGQ-UHFFFAOYSA-N 0 0 391.272 4.869 10 0 GJAERN OC[C@H]1CCCN(c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)C1 ZINC000095078545 211218874 /nfs/dbraw/zinc/21/88/74/211218874.db2.gz STZOSMSFRSWNHY-AWEZNQCLSA-N 0 0 390.314 4.600 10 0 GJAERN Nc1c(Nc2ncc(C(F)(F)F)cc2Cl)ncnc1OC1CCCCC1 ZINC000040802154 210795096 /nfs/dbraw/zinc/79/50/96/210795096.db2.gz IEFNKWHNCZHLDM-UHFFFAOYSA-N 0 0 387.793 4.581 10 0 GJAERN COc1cccc(-c2cc(CN(Cc3ccccc3)C(=O)CC(C)C)no2)c1 ZINC000036005550 210703490 /nfs/dbraw/zinc/70/34/90/210703490.db2.gz RUPKYPWNBWPGET-UHFFFAOYSA-N 0 0 378.472 4.925 10 0 GJAERN Cc1cccc(Cc2c(C)nc(SCc3ccc(C)c(C)c3)n(C)c2=O)c1 ZINC000035844573 210698001 /nfs/dbraw/zinc/69/80/01/210698001.db2.gz CYRNHNDTVYLZSA-UHFFFAOYSA-N 0 0 378.541 4.897 10 0 GJAERN O=C(NCc1ccco1)NC[C@H](c1c[nH]c2ccccc21)c1ccc(F)cc1 ZINC000033062308 210621091 /nfs/dbraw/zinc/62/10/91/210621091.db2.gz BQIORNHXINOLMR-IBGZPJMESA-N 0 0 377.419 4.531 10 0 GJAERN CCCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Oc2ccccc2)C[C@@H]1C ZINC000073655050 521431948 /nfs/dbraw/zinc/43/19/48/521431948.db2.gz FKAZEOHFKPHSKO-FUHWJXTLSA-N 0 0 376.497 4.543 10 0 GJAERN Cc1ccc(F)cc1Nc1nc(Cl)c2c(n1)CCN(Cc1ccccc1)C2 ZINC000057343701 524870348 /nfs/dbraw/zinc/87/03/48/524870348.db2.gz VJJYUGWRASYISU-UHFFFAOYSA-N 0 0 382.870 4.879 10 0 GJAERN O=Cc1cccc2c1OCCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000725260118 570307400 /nfs/dbraw/zinc/30/74/00/570307400.db2.gz MXQADMJFNSUKNE-UHFFFAOYSA-N 0 0 399.446 4.643 10 0 GJAERN CN(Cc1ccccc1)C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000023453134 570324679 /nfs/dbraw/zinc/32/46/79/570324679.db2.gz IAZWWFFBDGTHNK-UHFFFAOYSA-N 0 0 396.446 4.903 10 0 GJAERN CC[C@H](C(=O)NC1CCCCC1)n1c(C(=O)OC)cc2sc(Cl)cc21 ZINC000005084985 570413800 /nfs/dbraw/zinc/41/38/00/570413800.db2.gz ZWHCXEGSJAWMIG-GFCCVEGCSA-N 0 0 382.913 4.543 10 0 GJAERN CCNC(=O)c1cc(-c2cnn(-c3ccc(CC)cc3)c2C)nc2ccccc21 ZINC000033258091 570521731 /nfs/dbraw/zinc/52/17/31/570521731.db2.gz RDFHPOLFFWYIJD-UHFFFAOYSA-N 0 0 384.483 4.708 10 0 GJAERN O=C(Nc1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1)c1ccco1 ZINC000037543555 571028919 /nfs/dbraw/zinc/02/89/19/571028919.db2.gz BFOXPOBYFWHDME-UHFFFAOYSA-N 0 0 393.418 4.503 10 0 GJAERN CCOC(=O)c1ccccc1NC(=O)c1ccc2c(c1)nc1c(c2Cl)CCC1 ZINC000005034974 571045814 /nfs/dbraw/zinc/04/58/14/571045814.db2.gz SPNTTZDTGCCUHU-UHFFFAOYSA-N 0 0 394.858 4.806 10 0 GJAERN COc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccco3)cc2)C1 ZINC000012057883 230877012 /nfs/dbraw/zinc/87/70/12/230877012.db2.gz JWTSLAVGSGBTAD-IBGZPJMESA-N 0 0 389.451 4.690 10 0 GJAERN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 ZINC000013118787 210051914 /nfs/dbraw/zinc/05/19/14/210051914.db2.gz YMFMORADVQJPBI-RHSMWYFYSA-N 0 0 380.517 4.559 10 0 GJAERN COc1ccc(F)c(-c2nc(CN(C)[C@@H](C)c3nc(C)cs3)c(C)o2)c1 ZINC000012031572 209900319 /nfs/dbraw/zinc/90/03/19/209900319.db2.gz OUKXMYPHPPUMBI-LBPRGKRZSA-N 0 0 375.469 4.756 10 0 GJAERN O=C1C(=Cc2cccs2)NC(=S)N1c1ccc(Oc2ccccc2)cc1 ZINC000006282806 209640321 /nfs/dbraw/zinc/64/03/21/209640321.db2.gz KGDYLZPSSMNYJS-QGOAFFKASA-N 0 0 378.478 4.803 10 0 GJAERN CCOC(=O)c1cc(CC)sc1NC(=O)CCCOc1cccc(C)c1C ZINC000001956411 209343871 /nfs/dbraw/zinc/34/38/71/209343871.db2.gz FYKYYFCISBQLGC-UHFFFAOYSA-N 0 0 389.517 4.902 10 0 GJAERN CCCOc1ccccc1/C=C/C(=O)Nc1sc(CC)cc1C(=O)OCC ZINC000001927512 209342718 /nfs/dbraw/zinc/34/27/18/209342718.db2.gz QUZGUOATNOMELG-VAWYXSNFSA-N 0 0 387.501 4.928 10 0 GJAERN COC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CC[C@H](C)C2 ZINC000001904908 209342527 /nfs/dbraw/zinc/34/25/27/209342527.db2.gz WPBIIOSQYCPNDK-OANVXVOSSA-N 0 0 389.904 4.965 10 0 GJAERN Cc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)o1 ZINC000001364733 209322771 /nfs/dbraw/zinc/32/27/71/209322771.db2.gz QAMKOLLOMKXESS-KRWDZBQOSA-N 0 0 393.487 4.955 10 0 GJAERN O=C(Nc1nnc(CCc2ccccc2)s1)c1ccc(Cl)cc1Cl ZINC000000828630 209270751 /nfs/dbraw/zinc/27/07/51/209270751.db2.gz BVZCHEPRCHHCRQ-UHFFFAOYSA-N 0 0 378.284 4.882 10 0 in-vivo GJAERN O=C(COc1ccc(Cl)cc1)[C@H]1CSc2ccc(Br)cc21 ZINC000001564451 209227066 /nfs/dbraw/zinc/22/70/66/209227066.db2.gz DXTLQJCSXHZWHL-AWEZNQCLSA-N 0 0 383.694 4.940 10 0 GJAERN CCOC(=O)c1cc(-c2ccc(Br)cc2)n(Cc2ccccc2)n1 ZINC000067175680 209218243 /nfs/dbraw/zinc/21/82/43/209218243.db2.gz OFZQCMDNTFHFQU-UHFFFAOYSA-N 0 0 385.261 4.538 10 0 GJAERN Cn1nnc(COc2ccc(Cl)cc2)c1SCc1cccc(Cl)c1 ZINC000334163184 203785669 /nfs/dbraw/zinc/78/56/69/203785669.db2.gz WBXGVEINKUUBFW-UHFFFAOYSA-N 0 0 380.300 4.993 10 0 GJAERN CCOC(=O)c1c(NC(=O)/C=C/c2cccc(Cl)c2)sc2c1CCC2 ZINC000001903736 203922497 /nfs/dbraw/zinc/92/24/97/203922497.db2.gz HJJGHHIYVUBZDR-MDZDMXLPSA-N 0 0 375.877 4.719 10 0 GJAERN O=C(Nc1ncc(Cl)c(Cl)c1Cl)c1cc(Br)ccc1O ZINC000002388200 203942157 /nfs/dbraw/zinc/94/21/57/203942157.db2.gz KCLSGWDERFOUJU-UHFFFAOYSA-N 0 0 396.455 4.762 10 0 GJAERN CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccccc2)c2ccc(F)cc2)CC1 ZINC000008773251 204290351 /nfs/dbraw/zinc/29/03/51/204290351.db2.gz VZMVVTYNZSDARD-UHFFFAOYSA-N 0 0 398.478 4.872 10 0 GJAERN CC[C@H]1CCCCN1C(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1 ZINC000011699566 204350703 /nfs/dbraw/zinc/35/07/03/204350703.db2.gz BIUMLBUGXTXQEP-SFHVURJKSA-N 0 0 378.472 4.832 10 0 GJAERN Cc1nnsc1C(=O)N1CCc2c3ccccc3[nH]c2[C@H]1C1CCCCC1 ZINC000011712928 204350909 /nfs/dbraw/zinc/35/09/09/204350909.db2.gz SPXSUTATTQIPDO-LJQANCHMSA-N 0 0 380.517 4.648 10 0 GJAERN COc1ccc(OC)c(-c2nc(CN3CCCC[C@@H]3c3cccnc3)c(C)o2)c1 ZINC000011821332 204356550 /nfs/dbraw/zinc/35/65/50/204356550.db2.gz HCJBELHDPXVWFH-OAQYLSRUSA-N 0 0 393.487 4.789 10 0 GJAERN CCc1nc(C)c(CN2CCOc3ccc(C4=Cc5ccccc5C4)cc3C2)[nH]1 ZINC000019228000 204631740 /nfs/dbraw/zinc/63/17/40/204631740.db2.gz OMSVBOIKSKLDBP-UHFFFAOYSA-N 0 0 385.511 4.772 10 0 GJAERN CC(C)Cn1c2nnc(SCc3cccc(Cl)c3)n2c2ccccc2c1=O ZINC000033256460 204952555 /nfs/dbraw/zinc/95/25/55/204952555.db2.gz MAWWMZJVSPCTMR-UHFFFAOYSA-N 0 0 398.919 4.646 10 0 GJAERN O=C(c1ccccc1)N(Cc1cc(-c2ccco2)on1)Cc1ccc(F)cc1 ZINC000036016364 205002399 /nfs/dbraw/zinc/00/23/99/205002399.db2.gz UQFRQJWBKQMAAL-UHFFFAOYSA-N 0 0 376.387 4.916 10 0 GJAERN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccccc2)Cc2ccccc2F)n1 ZINC000036073069 205003771 /nfs/dbraw/zinc/00/37/71/205003771.db2.gz OJIDOBNZVNFNSP-KRWDZBQOSA-N 0 0 395.478 4.544 10 0 GJAERN O=C(c1ccc(F)cc1)N1CCC[C@@H](OCc2ccc(OC(F)(F)F)cc2)C1 ZINC000036315382 205011303 /nfs/dbraw/zinc/01/13/03/205011303.db2.gz KQQMVTOYVHPQLE-GOSISDBHSA-N 0 0 397.368 4.546 10 0 GJAERN COc1ccc2nc(NC(=O)c3oc4c(c3C)C(=O)CC(C)(C)C4)sc2c1 ZINC000040802897 205072089 /nfs/dbraw/zinc/07/20/89/205072089.db2.gz RZKKJXXVYHXOOZ-UHFFFAOYSA-N 0 0 384.457 4.614 10 0 GJAERN Cc1oc(-c2ccccc2Cl)nc1CN(C)Cc1ccc2nccnc2c1 ZINC000055576062 205148620 /nfs/dbraw/zinc/14/86/20/205148620.db2.gz CVDLRSPZOFWTIF-UHFFFAOYSA-N 0 0 378.863 4.879 10 0 GJAERN COc1c(F)cc(NC(=O)N[C@H](C)c2ccccc2Br)cc1F ZINC000071997810 205301472 /nfs/dbraw/zinc/30/14/72/205301472.db2.gz ONBVBIHDTROLCR-SECBINFHSA-N 0 0 385.208 4.619 10 0 GJAERN O=C(CNc1cccc(C(=O)Nc2ccccc2)c1)Nc1ccc2cnccc2c1 ZINC000043151974 205357619 /nfs/dbraw/zinc/35/76/19/205357619.db2.gz LRNROWYINMGRON-UHFFFAOYSA-N 0 0 396.450 4.538 10 0 GJAERN CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ncc(C(F)(F)F)cc1Cl ZINC000095075271 205436224 /nfs/dbraw/zinc/43/62/24/205436224.db2.gz ALIJHDIXEAAFDG-GFCCVEGCSA-N 0 0 393.837 4.590 10 0 GJAERN CC(C)(C)OC(=O)N1CCCC[C@H]1Cn1c2ccccc2nc1C(F)(F)F ZINC000095086431 205438152 /nfs/dbraw/zinc/43/81/52/205438152.db2.gz REPBHCKPUIHIDL-ZDUSSCGKSA-N 0 0 383.414 4.845 10 0 GJAERN CSc1ccc([C@@H]2NCc3c(C)nn(-c4ccccc4)c3-n3cccc32)cc1 ZINC000096077914 211297582 /nfs/dbraw/zinc/29/75/82/211297582.db2.gz CLODNDGDKFCUHB-QFIPXVFZSA-N 0 0 386.524 4.886 10 0 GJAERN NC(=O)CC(=O)N(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000095932059 211283789 /nfs/dbraw/zinc/28/37/89/211283789.db2.gz IENPOZSGBPJDPD-UHFFFAOYSA-N 0 0 392.069 4.840 10 0 GJAERN CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)c2cc(Cl)ccc2C1 ZINC000091692596 211202828 /nfs/dbraw/zinc/20/28/28/211202828.db2.gz WWBVQUSWFATRSC-UHFFFAOYSA-N 0 0 382.888 4.832 10 0 GJAERN Cc1c2c(c(C)c(C)c1O)O[C@@](C)(Cn1ccc(-c3cccc4c3NCC4)n1)C2 ZINC000089210193 211180668 /nfs/dbraw/zinc/18/06/68/211180668.db2.gz VCHLOXNJHQTUKZ-XMMPIXPASA-N 0 0 389.499 4.543 10 0 GJAERN C[C@@H](Oc1cccc(I)c1)C(=O)c1cccc(Cl)c1 ZINC000070133169 211041287 /nfs/dbraw/zinc/04/12/87/211041287.db2.gz JSWBFORBXGXZEH-SNVBAGLBSA-N 0 0 386.616 4.595 10 0 GJAERN C[C@H](Oc1cccc(Br)c1)C(=O)c1ccc(Br)cc1 ZINC000070132777 211040397 /nfs/dbraw/zinc/04/03/97/211040397.db2.gz VAHPEEONVDRXES-JTQLQIEISA-N 0 0 384.067 4.862 10 0 GJAERN C[C@@H](NC(=O)C1(c2ccc(F)cc2)CCOCC1)c1ccc2ccccc2c1 ZINC000057185498 210895665 /nfs/dbraw/zinc/89/56/65/210895665.db2.gz BNELTUVZXDAIMU-QGZVFWFLSA-N 0 0 377.459 4.905 10 0 GJAERN Nc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1Nc1cccnc1Cl ZINC000040799964 210794245 /nfs/dbraw/zinc/79/42/45/210794245.db2.gz IRWVQZXFAXFZES-UHFFFAOYSA-N 0 0 380.761 4.613 10 0 GJAERN Nc1c(Nc2ccc(Cl)cn2)ncnc1Nc1cc(Cl)ccc1Cl ZINC000040778115 210795478 /nfs/dbraw/zinc/79/54/78/210795478.db2.gz PTKGXVLLDNREGD-UHFFFAOYSA-N 0 0 381.654 4.901 10 0 GJAERN FC(F)(F)c1cccn2cc(-c3ccc(I)cc3)nc12 ZINC000039325736 210760693 /nfs/dbraw/zinc/76/06/93/210760693.db2.gz FEZOHQHEZPGKCX-UHFFFAOYSA-N 0 0 388.130 4.625 10 0 GJAERN CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H](CCC)[C@]3(OC(=O)C4=C3CCC=C4)[C@H]21 ZINC000033830829 210654827 /nfs/dbraw/zinc/65/48/27/210654827.db2.gz TYSOMZQRYGBSKN-DRQJQJQISA-N 0 0 380.484 4.922 10 0 biogenic,in-vitro GJAERN O=C(NC1CCCC1)c1[nH]c2ccccc2c1NC(=O)c1ccc(Cl)cc1 ZINC000021361808 210382213 /nfs/dbraw/zinc/38/22/13/210382213.db2.gz DBQIKNCMJIQUNU-UHFFFAOYSA-N 0 0 381.863 4.746 10 0 GJAERN COC[C@@H](C)Oc1ccc(CN(C(=O)c2ccccc2OC)C2CCCC2)cc1 ZINC000020775203 210361192 /nfs/dbraw/zinc/36/11/92/210361192.db2.gz ODNHOMAQVHZPHQ-GOSISDBHSA-N 0 0 397.515 4.694 10 0 GJAERN CCCCn1nc2cc(C(=O)NCCCCc3ccccc3)ccc2c1OCC ZINC000008801869 221060060 /nfs/dbraw/zinc/06/00/60/221060060.db2.gz WMJOMUNZUSDHGZ-UHFFFAOYSA-N 0 0 393.531 4.988 10 0 GJAERN O=C(NC[C@@H]1Cc2cc(-c3cccnc3)cc(F)c2O1)c1ccc2ccccc2c1 ZINC000012099753 221151024 /nfs/dbraw/zinc/15/10/24/221151024.db2.gz RVWBIYWORDDQQY-QFIPXVFZSA-N 0 0 398.437 4.774 10 0 GJAERN Cc1ccc(CNC(=O)c2cccc(-c3cnc(NC4CCCCC4)nc3)c2)o1 ZINC000064668492 222078539 /nfs/dbraw/zinc/07/85/39/222078539.db2.gz IUCDNLMZISNYFZ-UHFFFAOYSA-N 0 0 390.487 4.720 10 0 GJAERN Nc1ccc([C@](O)(c2nc3ccccc3s2)C(F)(F)F)c2c1CCCC2 ZINC000024927073 570398798 /nfs/dbraw/zinc/39/87/98/570398798.db2.gz FUEBSWXDZAHDST-SFHVURJKSA-N 0 0 378.419 4.556 10 0 GJAERN CCn1nc(C(=O)N(C)Cc2ccccc2)cc1-c1cccc(C(F)(F)F)c1 ZINC000034901468 570547356 /nfs/dbraw/zinc/54/73/56/570547356.db2.gz SQDLLGZMHVGCDP-UHFFFAOYSA-N 0 0 387.405 4.861 10 0 GJAERN O=C(NCc1ccco1)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(F)cc1 ZINC000033062306 570748749 /nfs/dbraw/zinc/74/87/49/570748749.db2.gz BQIORNHXINOLMR-LJQANCHMSA-N 0 0 377.419 4.531 10 0 GJAERN CC(C)(C)OC(=O)N1CC[C@@](c2ccc(Br)cc2)(C(F)(F)F)C1 ZINC000675050852 570898501 /nfs/dbraw/zinc/89/85/01/570898501.db2.gz UWNQHAFLNVXIKM-OAHLLOKOSA-N 0 0 394.231 4.890 10 0 GJAERN Cc1ccc(Oc2nccnc2Sc2ccccc2C(=O)NC(C)C)cc1 ZINC000033289208 570956478 /nfs/dbraw/zinc/95/64/78/570956478.db2.gz PUWPDCMVFJHBAU-UHFFFAOYSA-N 0 0 379.485 4.867 10 0 GJAERN CN(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 ZINC000017333899 210209412 /nfs/dbraw/zinc/20/94/12/210209412.db2.gz RKCCJNWPZXXBLN-UHFFFAOYSA-N 0 0 389.112 4.545 10 0 GJAERN COc1ccc(S(=O)(=O)Nc2cccc(-c3cc4cc(F)ccc4[nH]3)c2)cc1 ZINC000015868416 210178625 /nfs/dbraw/zinc/17/86/25/210178625.db2.gz ZVJRDWRDKBKPIY-UHFFFAOYSA-N 0 0 396.443 4.783 10 0 GJAERN Cc1ccc(CNc2nc(CN3CCc4ccccc4C3)nc3ccccc32)o1 ZINC000014979630 210139158 /nfs/dbraw/zinc/13/91/58/210139158.db2.gz NEOVFSINIPMMNT-UHFFFAOYSA-N 0 0 384.483 4.702 10 0 GJAERN Cc1cc(-c2cc(F)cc3c2O[C@@H](CNC(=O)CCC(F)(F)F)C3)ccc1F ZINC000012098691 209908835 /nfs/dbraw/zinc/90/88/35/209908835.db2.gz KVQWKKNMYMOXBD-OAHLLOKOSA-N 0 0 399.359 4.702 10 0 GJAERN CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000005726602 204148269 /nfs/dbraw/zinc/14/82/69/204148269.db2.gz HNBPDKMQQVHQDH-UHFFFAOYSA-N 0 0 382.504 4.517 10 0 GJAERN Cc1sc(NC(=O)[C@@H]2COc3ccccc3O2)nc1-c1ccc(Cl)cc1 ZINC000006375901 204176055 /nfs/dbraw/zinc/17/60/55/204176055.db2.gz MGECUBICSRUVSM-INIZCTEOSA-N 0 0 386.860 4.550 10 0 GJAERN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(N)ncnc3n2)c(OC)c1 ZINC000009694552 204321287 /nfs/dbraw/zinc/32/12/87/204321287.db2.gz DSLSFXFGKKGJOE-UHFFFAOYSA-N 0 0 392.846 4.612 10 0 GJAERN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1nccs1 ZINC000019607111 204665155 /nfs/dbraw/zinc/66/51/55/204665155.db2.gz ZMBGLTYBZCRJNJ-QFIPXVFZSA-N 0 0 375.497 4.781 10 0 GJAERN CC(=O)Nc1nc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2s1 ZINC000028462683 204873757 /nfs/dbraw/zinc/87/37/57/204873757.db2.gz QOKTVQOZWFMPBC-UHFFFAOYSA-N 0 0 380.256 4.814 10 0 GJAERN COc1ccc([C@@H]2c3cccn3CCCN2Cc2cccc(OC)c2OC)cc1 ZINC000036347574 205012981 /nfs/dbraw/zinc/01/29/81/205012981.db2.gz RZOMTTBTKLJSFG-HSZRJFAPSA-N 0 0 392.499 4.509 10 0 GJAERN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)cc1Cl ZINC000065330722 205230186 /nfs/dbraw/zinc/23/01/86/205230186.db2.gz ZBFSXFLLAGYSCH-CYBMUJFWSA-N 0 0 386.908 4.508 10 0 GJAERN CC(=O)Nc1cccc(Nc2nc(-c3cccnc3)nc3sc(C)cc32)c1 ZINC000072260943 205318865 /nfs/dbraw/zinc/31/88/65/205318865.db2.gz OJSCTIXLNWVIDS-UHFFFAOYSA-N 0 0 375.457 4.764 10 0 GJAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCCOc2ccc(Br)cn2)C1 ZINC000095085017 205437132 /nfs/dbraw/zinc/43/71/32/205437132.db2.gz VJOUJTYDHXSMNV-AWEZNQCLSA-N 0 0 399.329 4.650 10 0 GJAERN CCN(CC)C(=S)S[C@@H]1C(=O)Nc2cc(C)ccc2N=C1c1ccccc1 ZINC000100898514 211392535 /nfs/dbraw/zinc/39/25/35/211392535.db2.gz IRNGSHWPORCAJQ-IBGZPJMESA-N 0 0 397.569 4.796 10 0 GJAERN CC(C)N(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095088119 211220413 /nfs/dbraw/zinc/22/04/13/211220413.db2.gz QLMGDHUCZVAQSN-GOSISDBHSA-N 0 0 394.943 4.867 10 0 GJAERN CC(C)N(Cc1ccccc1Cl)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095088158 211220526 /nfs/dbraw/zinc/22/05/26/211220526.db2.gz NXYLTXWWABOVTJ-GOSISDBHSA-N 0 0 394.943 4.867 10 0 GJAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCOc2nc3ccccc3nc2Cl)C1 ZINC000095085165 211218698 /nfs/dbraw/zinc/21/86/98/211218698.db2.gz OEHNBUNMRNNOHZ-AWEZNQCLSA-N 0 0 391.899 4.699 10 0 GJAERN OCC1CCN(c2nc3ccccc3n2Cc2cc(Cl)ccc2Cl)CC1 ZINC000095078686 211218709 /nfs/dbraw/zinc/21/87/09/211218709.db2.gz WFAZDBOCWGLBIW-UHFFFAOYSA-N 0 0 390.314 4.600 10 0 GJAERN CC(=O)Nc1ccc(Nc2ncnc(Oc3ccc(Cl)c(C)c3)c2N)cc1 ZINC000040798084 210794912 /nfs/dbraw/zinc/79/49/12/210794912.db2.gz MYFOBNLOSBEZKL-UHFFFAOYSA-N 0 0 383.839 4.515 10 0 GJAERN CN(C(=O)c1cnc(-c2ccc(F)cc2)nc1N1CCCCC1)C1CCCCC1 ZINC000036002750 210704793 /nfs/dbraw/zinc/70/47/93/210704793.db2.gz NBDUBHUQOPEOBI-UHFFFAOYSA-N 0 0 396.510 4.678 10 0 GJAERN O=C(/C=C\c1ccc(Br)cc1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000034805375 210668226 /nfs/dbraw/zinc/66/82/26/210668226.db2.gz TZRNJHVVBVBFMH-UTCJRWHESA-N 0 0 392.121 4.797 10 0 GJAERN CCOC(=O)Nc1cc2nc[nH]c2c(NC(c2ccccc2)c2ccccc2)n1 ZINC000033818275 210654703 /nfs/dbraw/zinc/65/47/03/210654703.db2.gz QCRSINRZNPQACN-UHFFFAOYSA-N 0 0 387.443 4.728 10 0 GJAERN COc1ccc(-c2ccc(N3CCN(C(=O)c4cccc(F)c4)CC3)s2)cc1 ZINC000032951311 210607151 /nfs/dbraw/zinc/60/71/51/210607151.db2.gz SQLRNECURFDUEK-UHFFFAOYSA-N 0 0 396.487 4.525 10 0 GJAERN COc1ccc(NC(=O)c2ccnc(Nc3cc(Cl)ccc3OC)c2)cc1 ZINC000021881877 210396728 /nfs/dbraw/zinc/39/67/28/210396728.db2.gz CXDPFHHGTIEUCR-UHFFFAOYSA-N 0 0 383.835 4.748 10 0 GJAERN COc1cc(N)ccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020344630 210329760 /nfs/dbraw/zinc/32/97/60/210329760.db2.gz HGQIEMYWAKCHGU-UHFFFAOYSA-N 0 0 378.272 4.567 10 0 GJAERN CCCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)Oc2ccccc2)C[C@@H]1C ZINC000073655053 521432310 /nfs/dbraw/zinc/43/23/10/521432310.db2.gz FKAZEOHFKPHSKO-WMZOPIPTSA-N 0 0 376.497 4.543 10 0 GJAERN CC1=C(C#N)[C@@H](c2cc(Br)cs2)C2=C(CC(C)(C)CC2=O)N1 ZINC000048534399 570250715 /nfs/dbraw/zinc/25/07/15/570250715.db2.gz MWXNLXILXRYAIV-HNNXBMFYSA-N 0 0 377.307 4.638 10 0 GJAERN CCCCCCc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000020582562 570268851 /nfs/dbraw/zinc/26/88/51/570268851.db2.gz QBWBHPYNEMFEJL-UHFFFAOYSA-N 0 0 391.515 4.860 10 0 GJAERN CCOC(=O)[C@]1(Cc2ccccc2)Cc2ccccc2N(Cc2ccccc2)C1=O ZINC000026423147 570425662 /nfs/dbraw/zinc/42/56/62/570425662.db2.gz JGMGSWGNRKEENW-AREMUKBSSA-N 0 0 399.490 4.568 10 0 GJAERN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cccc(Br)c1 ZINC000048544879 570659782 /nfs/dbraw/zinc/65/97/82/570659782.db2.gz XEKYONRSCQHSDY-UHFFFAOYSA-N 0 0 380.241 4.932 10 0 GJAERN Cc1nc2cccnc2n1-c1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000032932153 570946968 /nfs/dbraw/zinc/94/69/68/570946968.db2.gz OXCRHZJQVHVHPG-UHFFFAOYSA-N 0 0 380.810 4.774 10 0 GJAERN Cc1ccccc1COc1c(Br)cc(Br)cc1C=O ZINC000035657479 230922777 /nfs/dbraw/zinc/92/27/77/230922777.db2.gz ZSQHXHUBYYDLRP-UHFFFAOYSA-N 0 0 384.067 4.912 10 0 GJAERN CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1OC ZINC000001934782 209342278 /nfs/dbraw/zinc/34/22/78/209342278.db2.gz QNTUTCMPABYZHJ-NTUHNPAUSA-N 0 0 397.471 4.559 10 0 GJAERN CC1(C)CC(O)CC(C)(C)N1O[C@H](COC(=O)c1ccccc1)c1ccccc1 ZINC000090711384 209238107 /nfs/dbraw/zinc/23/81/07/209238107.db2.gz KYZPPUJSGFFWEA-OAQYLSRUSA-N 0 0 397.515 4.530 10 0 GJAERN Clc1ccc([C@@H]([C@@H](c2ccccc2)c2ccncc2)N2CCOCC2)cc1 ZINC000015784051 209236222 /nfs/dbraw/zinc/23/62/22/209236222.db2.gz FXFVKGWWGFQVOI-GOTSBHOMSA-N 0 0 378.903 4.940 10 0 GJAERN CCOP(=O)(CNC(=O)OCC1c2ccccc2-c2ccccc21)OCC ZINC000096395063 212074874 /nfs/dbraw/zinc/07/48/74/212074874.db2.gz QAVBFAASIKBEJF-UHFFFAOYSA-N 0 0 389.388 4.749 10 0 GJAERN CCn1ncc(CN(C)C(=O)Nc2ccc(SCc3ccco3)cc2)c1C ZINC000299778756 212034779 /nfs/dbraw/zinc/03/47/79/212034779.db2.gz HKRBLCZKKQZLCZ-UHFFFAOYSA-N 0 0 384.505 4.761 10 0 GJAERN CCCCCCNC(=O)c1cccc(CN2C(=O)CSc3ccccc32)c1 ZINC000005074701 204110219 /nfs/dbraw/zinc/11/02/19/204110219.db2.gz SHPVJOVAVSKVPC-UHFFFAOYSA-N 0 0 382.529 4.636 10 0 GJAERN CC(=O)c1c(OC(=O)C=Cc2ccc(Cl)cc2)ccc2c(C)cc(=O)oc21 ZINC000005697466 204147518 /nfs/dbraw/zinc/14/75/18/204147518.db2.gz GEYACVVZWRMBPB-BJMVGYQFSA-N 0 0 382.799 4.576 10 0 GJAERN CCc1cccc(Nc2cnn(-c3nc4ccccc4s3)c(=O)c2Cl)c1 ZINC000006786095 204206495 /nfs/dbraw/zinc/20/64/95/204206495.db2.gz PCYFKZKTBLUWLL-UHFFFAOYSA-N 0 0 382.876 4.802 10 0 GJAERN CCCCCC[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000011096127 204342920 /nfs/dbraw/zinc/34/29/20/204342920.db2.gz ZQHSNIVPQPVWRW-INIZCTEOSA-N 0 0 378.944 4.667 10 0 GJAERN Cc1cc(C)c(N[C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)c1 ZINC000036635878 205019631 /nfs/dbraw/zinc/01/96/31/205019631.db2.gz WXRJNXWXEUNLAK-HNNXBMFYSA-N 0 0 377.271 4.663 10 0 GJAERN Nc1c(Nc2ccc(F)c(F)c2)ncnc1Nc1ccccc1Br ZINC000040781469 205072056 /nfs/dbraw/zinc/07/20/56/205072056.db2.gz LSENHMRCXUCHKE-UHFFFAOYSA-N 0 0 392.207 4.587 10 0 GJAERN Nc1c(Nc2ccc(F)c(F)c2)ncnc1Oc1ccc(Br)cc1 ZINC000040800393 205072750 /nfs/dbraw/zinc/07/27/50/205072750.db2.gz ZYZVJDDYODUKFB-UHFFFAOYSA-N 0 0 393.191 4.635 10 0 GJAERN Cc1ccc(NC(=O)Nc2ccccc2I)cc1Cl ZINC000070135087 205278177 /nfs/dbraw/zinc/27/81/77/205278177.db2.gz YDSPUBRMWBMWCI-UHFFFAOYSA-N 0 0 386.620 4.897 10 0 GJAERN COc1ccc(CCNc2nc(-c3cccnc3)nc3sc(C)cc32)cc1 ZINC000072260812 205319557 /nfs/dbraw/zinc/31/95/57/205319557.db2.gz YTYDFFGNTHFIQA-UHFFFAOYSA-N 0 0 376.485 4.725 10 0 GJAERN CC(C)C(=O)Nc1ccc(C2(C(=O)N(C)Cc3ccco3)CCCCC2)cc1 ZINC000065027512 206106535 /nfs/dbraw/zinc/10/65/35/206106535.db2.gz ZKYGUQALEFXGRB-UHFFFAOYSA-N 0 0 382.504 4.735 10 0 GJAERN O=C(NCCC1=CCCCC1)c1cc(Br)c(Br)s1 ZINC000095081298 211218671 /nfs/dbraw/zinc/21/86/71/211218671.db2.gz JRXKXRDHDNCNOK-UHFFFAOYSA-N 0 0 393.144 4.893 10 0 GJAERN COc1ccc(Nc2ncnc(Nc3cc(Cl)ccc3Cl)c2N)cc1 ZINC000040778169 210794587 /nfs/dbraw/zinc/79/45/87/210794587.db2.gz DKNMRVIEGZONQR-UHFFFAOYSA-N 0 0 376.247 4.861 10 0 GJAERN Cn1nc(C(=O)Nc2cccc(C(F)(F)F)c2)c2c1-c1ccccc1SC2 ZINC000020902014 210368346 /nfs/dbraw/zinc/36/83/46/210368346.db2.gz XABJKULIKJCNRV-UHFFFAOYSA-N 0 0 389.402 4.964 10 0 GJAERN COc1ccccc1CNc1ccc(N2CCN(c3ccccc3C)CC2)cc1 ZINC000033876256 524492542 /nfs/dbraw/zinc/49/25/42/524492542.db2.gz UYSWOPYQGBTBLU-UHFFFAOYSA-N 0 0 387.527 4.942 10 0 GJAERN O=Cc1ccc2c(c1)CN(C(=O)OCC1c3ccccc3-c3ccccc31)CCO2 ZINC000725259064 570304975 /nfs/dbraw/zinc/30/49/75/570304975.db2.gz BWDHHDJCDWXMFQ-UHFFFAOYSA-N 0 0 399.446 4.643 10 0 GJAERN COc1ccccc1CCNc1ncnc2onc(-c3cccc(Cl)c3)c21 ZINC000020329599 570694575 /nfs/dbraw/zinc/69/45/75/570694575.db2.gz LITODUHAFKULSK-UHFFFAOYSA-N 0 0 380.835 4.601 10 0 GJAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cn1c(=O)sc2cccc(Cl)c21 ZINC000252370675 570727731 /nfs/dbraw/zinc/72/77/31/570727731.db2.gz YQFZIZDBDGZORF-IPYPFGDCSA-N 0 0 381.925 4.720 10 0 GJAERN C[C@H](CNC(=O)c1ccc(N2CCSc3ncccc32)s1)c1ccccc1 ZINC000015769756 210167416 /nfs/dbraw/zinc/16/74/16/210167416.db2.gz GWICAYNQFVIVPE-OAHLLOKOSA-N 0 0 395.553 4.920 10 0 GJAERN O=C(Nc1cccc(F)c1)c1cc(Br)c(Br)s1 ZINC000014427646 210117632 /nfs/dbraw/zinc/11/76/32/210117632.db2.gz YVKFDARSLXXUGF-UHFFFAOYSA-N 0 0 379.048 4.665 10 0 GJAERN COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccco3)cc2)C1 ZINC000012057882 209904649 /nfs/dbraw/zinc/90/46/49/209904649.db2.gz JWTSLAVGSGBTAD-LJQANCHMSA-N 0 0 389.451 4.690 10 0 GJAERN Brc1ccccc1NCc1cc2c(cc1Br)OCO2 ZINC000035116439 209371383 /nfs/dbraw/zinc/37/13/83/209371383.db2.gz FOOXFHSWTQDEAC-UHFFFAOYSA-N 0 0 385.055 4.552 10 0 GJAERN CCCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1OC ZINC000001934693 209342512 /nfs/dbraw/zinc/34/25/12/209342512.db2.gz QPFYRMIZDFGXPB-NTUHNPAUSA-N 0 0 397.471 4.701 10 0 GJAERN Cc1cc(I)ccc1NC(=O)/C=C/c1cccc(Cl)c1 ZINC000001927146 209342332 /nfs/dbraw/zinc/34/23/32/209342332.db2.gz CAXPKVYHOLTBNA-VMPITWQZSA-N 0 0 397.643 4.905 10 0 GJAERN CCc1ccc(-c2c(=O)c(Cl)coc2-c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000026275233 203835594 /nfs/dbraw/zinc/83/55/94/203835594.db2.gz DMXZLOJGNRIVSI-UHFFFAOYSA-N 0 0 388.872 4.593 10 0 GJAERN CCCN(CCC)c1nc(N(CCC)CCC)nc(N(CCC)CCC)n1 ZINC000005310559 204124158 /nfs/dbraw/zinc/12/41/58/204124158.db2.gz BPWJOJGMQGGGGD-UHFFFAOYSA-N 0 0 378.609 4.751 10 0 GJAERN CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(N)=O)cc1 ZINC000005726603 204148346 /nfs/dbraw/zinc/14/83/46/204148346.db2.gz GTUWQVWYKVGESE-UHFFFAOYSA-N 0 0 382.504 4.517 10 0 GJAERN CC(C)(C)c1ccc([C@H](CC(=O)N2CCOCC2)c2c[nH]c3ccccc32)cc1 ZINC000006837379 204214014 /nfs/dbraw/zinc/21/40/14/204214014.db2.gz QXDSWGALQKUIHU-NRFANRHFSA-N 0 0 390.527 4.846 10 0 GJAERN CCC(CC)C(=O)NCc1nc(-c2cccc(NC(=O)CC(C)C)c2)oc1C ZINC000011788818 204353374 /nfs/dbraw/zinc/35/33/74/204353374.db2.gz YXFJCJZRVWOLRR-UHFFFAOYSA-N 0 0 385.508 4.687 10 0 GJAERN Cc1ccc(CN(Cc2nc(C(=O)NC(C)C)co2)Cc2ccccc2)c(C)c1 ZINC000036082904 205004405 /nfs/dbraw/zinc/00/44/05/205004405.db2.gz ZFWCCMXERLCGRF-UHFFFAOYSA-N 0 0 391.515 4.632 10 0 GJAERN COc1ccc(CN2CCCn3cccc3[C@H]2c2cccc(F)c2F)cc1OC ZINC000037523568 205027098 /nfs/dbraw/zinc/02/70/98/205027098.db2.gz WVQQHBUXRQYZHN-HSZRJFAPSA-N 0 0 398.453 4.779 10 0 GJAERN COc1ccc(CCNC(=O)Cc2ccc(NCc3cccc(C)c3)cc2)cc1 ZINC000037554892 205028734 /nfs/dbraw/zinc/02/87/34/205028734.db2.gz XNKSOYPSSNGSDL-UHFFFAOYSA-N 0 0 388.511 4.517 10 0 GJAERN COc1ccccc1Nc1ncnc(Nc2cccc(Cl)c2Cl)c1N ZINC000040778540 205070378 /nfs/dbraw/zinc/07/03/78/205070378.db2.gz KTKWBWRIWDMHHV-UHFFFAOYSA-N 0 0 376.247 4.861 10 0 GJAERN Cc1c(C(=O)N(C)C)sc2nc(-c3cccc(F)c3)c(NC3CCCC3)n12 ZINC000064761168 205195705 /nfs/dbraw/zinc/19/57/05/205195705.db2.gz BMJOARIQQHAQIP-UHFFFAOYSA-N 0 0 386.496 4.567 10 0 GJAERN CCN(CC)C(=S)S[C@H]1C(=O)Nc2cc(C)ccc2N=C1c1ccccc1 ZINC000100898512 205614089 /nfs/dbraw/zinc/61/40/89/205614089.db2.gz IRNGSHWPORCAJQ-LJQANCHMSA-N 0 0 397.569 4.796 10 0 GJAERN Clc1cccc(Cl)c1Cc1nnc2sc(/C=C\c3cccnc3)nn12 ZINC000096805176 211346567 /nfs/dbraw/zinc/34/65/67/211346567.db2.gz IMGRQWDGYAOZKV-SREVYHEPSA-N 0 0 388.283 4.649 10 0 GJAERN CCCCC[C@H](C)NC(=O)c1cc(Br)c(Br)s1 ZINC000095081977 211218624 /nfs/dbraw/zinc/21/86/24/211218624.db2.gz BTKQQNNILAQWLT-QMMMGPOBSA-N 0 0 383.149 4.972 10 0 GJAERN CCOC(=O)N1CCC(=C2c3cccc(Cl)c3CCc3cccnc32)CC1 ZINC000077286453 211129521 /nfs/dbraw/zinc/12/95/21/211129521.db2.gz LMPBOVWBDYPSQM-UHFFFAOYSA-N 0 0 382.891 4.888 10 0 in-vitro GJAERN COc1ccc(Oc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2N)cc1 ZINC000040799972 210794451 /nfs/dbraw/zinc/79/44/51/210794451.db2.gz OMWSRTMJDDGWNJ-UHFFFAOYSA-N 0 0 376.338 4.622 10 0 GJAERN CC[C@H](C(=O)NC)N(c1nc(-c2ccc(F)cc2)cs1)c1ccc(OC)cc1 ZINC000037440316 210740125 /nfs/dbraw/zinc/74/01/25/210740125.db2.gz JZDBQSUSKOYACA-LJQANCHMSA-N 0 0 399.491 4.621 10 0 GJAERN C[C@H]1CN(c2nc3ccccc3c(NCc3ccccc3Cl)n2)C[C@H](C)O1 ZINC000072260571 136167784 /nfs/dbraw/zinc/16/77/84/136167784.db2.gz TVYRVHQYFOKWDL-GJZGRUSLSA-N 0 0 382.895 4.509 10 0 GJAERN Cc1noc(-c2cccc(F)c2)c1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000023305697 570218824 /nfs/dbraw/zinc/21/88/24/570218824.db2.gz BDOXQRUHALOWLH-UHFFFAOYSA-N 0 0 378.325 4.738 10 0 GJAERN S=C(Nc1cc(Cl)ccc1Cl)N(Cc1cccnc1)C[C@H]1CCCO1 ZINC000020479291 570261454 /nfs/dbraw/zinc/26/14/54/570261454.db2.gz YYAGRJHTYZPTEG-OAHLLOKOSA-N 0 0 396.343 4.766 10 0 GJAERN Cc1ccn2c(c1)nc(CCc1ccccc1)c2NC(=O)Cc1ccc(F)cc1 ZINC000034913065 570346876 /nfs/dbraw/zinc/34/68/76/570346876.db2.gz XKZLNGMDSHLMEP-UHFFFAOYSA-N 0 0 387.458 4.748 10 0 GJAERN Cc1nnc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)nc3ccccc3n12 ZINC000035460893 570364904 /nfs/dbraw/zinc/36/49/04/570364904.db2.gz ZEPKZVIFKHHTHX-UHFFFAOYSA-N 0 0 395.422 4.631 10 0 GJAERN O=C(/C=C/c1ccc(Br)cc1)Nc1cccc(Br)c1 ZINC000005671020 570450609 /nfs/dbraw/zinc/45/06/09/570450609.db2.gz ALTPQMNEEZLHDV-RMKNXTFCSA-N 0 0 381.067 4.864 10 0 GJAERN CCc1cccc(NC(=O)N2CC[C@H](c3nc4ccncc4n3C(C)C)C2)c1 ZINC000096125315 570575770 /nfs/dbraw/zinc/57/57/70/570575770.db2.gz AYGKJMLLOKETKK-KRWDZBQOSA-N 0 0 377.492 4.596 10 0 GJAERN C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000003045822 570680335 /nfs/dbraw/zinc/68/03/35/570680335.db2.gz BZKQELJXLVAYFN-BBRMVZONSA-N 0 0 391.968 4.861 10 0 GJAERN CCOc1cccc(CNCc2ccccc2OC)c1OCc1ccccc1 ZINC000013720676 570780067 /nfs/dbraw/zinc/78/00/67/570780067.db2.gz ZKLNPHVDHLZUAB-UHFFFAOYSA-N 0 0 377.484 4.963 10 0 GJAERN CC(C)(C)CC(=O)Nc1cncc(-c2cc3cnn([C@H]4CCCCO4)c3cn2)c1 ZINC000498050913 570909279 /nfs/dbraw/zinc/90/92/79/570909279.db2.gz ZIEJHVRBWYSVRG-OAQYLSRUSA-N 0 0 393.491 4.567 10 0 GJAERN CCC(C)(C)NS(=O)(=O)c1c(C)sc(C)c1-c1cc(C(F)(F)F)on1 ZINC000033299374 570964430 /nfs/dbraw/zinc/96/44/30/570964430.db2.gz HXMDSPDCGYKLBQ-UHFFFAOYSA-N 0 0 396.456 4.506 10 0 GJAERN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(OC)c1 ZINC000001918819 212259831 /nfs/dbraw/zinc/25/98/31/212259831.db2.gz MXBFJWHKZRCRRG-JXMROGBWSA-N 0 0 376.250 4.508 10 0 GJAERN COc1cc(/C=C/C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OC ZINC000001983649 212261418 /nfs/dbraw/zinc/26/14/18/212261418.db2.gz VNBAEZMWLXPVDU-SOFGYWHQSA-N 0 0 390.277 4.735 10 0 GJAERN Cc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(Br)cc2)n1 ZINC000001491059 212143931 /nfs/dbraw/zinc/14/39/31/212143931.db2.gz NUPGPJBRKLLVNK-UHFFFAOYSA-N 0 0 390.672 4.589 10 0 GJAERN CCOc1ccc(/C=C/C(=O)Nc2cccc(Br)c2)cc1OC ZINC000001934794 209115192 /nfs/dbraw/zinc/11/51/92/209115192.db2.gz OYGANBMUGYCAJO-CSKARUKUSA-N 0 0 376.250 4.508 10 0 GJAERN CSCC[C@@H](NC(=O)[C@@H](CC(C)C)n1cccc1)c1nc2ccccc2[nH]1 ZINC000334160868 206253867 /nfs/dbraw/zinc/25/38/67/206253867.db2.gz NWMAPYDQJZGYLO-RTBURBONSA-N 0 0 384.549 4.562 10 0 GJAERN CNC(=O)OCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1C ZINC000005882409 206293078 /nfs/dbraw/zinc/29/30/78/206293078.db2.gz UWGIQPQQGRFVNH-UHFFFAOYSA-N 0 0 388.320 4.858 10 0 GJAERN COc1ccc(CS/C(Cl)=C(\Cl)C(=O)Nc2ccc(OC)nc2)cc1 ZINC000033336302 206303365 /nfs/dbraw/zinc/30/33/65/206303365.db2.gz JXTMOYLVZKKVJL-NXVVXOECSA-N 0 0 399.299 4.617 10 0 GJAERN COc1cc(Br)c(CCC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000001283942 206372429 /nfs/dbraw/zinc/37/24/29/206372429.db2.gz CJOANGMLKWYDIX-UHFFFAOYSA-N 0 0 398.684 4.691 10 0 GJAERN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)nc1C ZINC000001940333 206394906 /nfs/dbraw/zinc/39/49/06/206394906.db2.gz NFIYOJYDCQBXPD-FNORWQNLSA-N 0 0 385.272 4.587 10 0 GJAERN COc1ccc(NC(=O)/C=C/c2ccc(OC)c(Br)c2)cc1Cl ZINC000001986229 206395664 /nfs/dbraw/zinc/39/56/64/206395664.db2.gz XUPKUDSUQFZPIN-XBXARRHUSA-N 0 0 396.668 4.772 10 0 GJAERN COc1cc(/C=C/C(=O)Nc2cc(C)ccc2C)cc(Br)c1OC ZINC000001983638 206396242 /nfs/dbraw/zinc/39/62/42/206396242.db2.gz FKVBEYGUDXHJFR-BQYQJAHWSA-N 0 0 390.277 4.735 10 0 GJAERN Cc1sc(NC(=O)[C@H]2COc3ccccc3O2)nc1-c1ccc(Cl)cc1 ZINC000006375902 206649306 /nfs/dbraw/zinc/64/93/06/206649306.db2.gz MGECUBICSRUVSM-MRXNPFEDSA-N 0 0 386.860 4.550 10 0 GJAERN COc1ccc2c(CC(=O)N[C@H](C)c3ccccc3Br)coc2c1 ZINC000014425712 207021167 /nfs/dbraw/zinc/02/11/67/207021167.db2.gz UDZCMFMYOSEZBI-GFCCVEGCSA-N 0 0 388.261 4.624 10 0 GJAERN COc1ccc(NC(=O)N(C)Cc2nc(-c3ccccc3C)oc2C)cc1OC ZINC000021924620 207241819 /nfs/dbraw/zinc/24/18/19/207241819.db2.gz LODWWKMMMCGYTM-UHFFFAOYSA-N 0 0 395.459 4.640 10 0 GJAERN COC(=O)c1cc(N[C@H](C)c2ccc(Br)s2)c(F)cc1F ZINC000038003030 207249495 /nfs/dbraw/zinc/24/94/95/207249495.db2.gz TURJRRDRUBNERD-SSDOTTSWSA-N 0 0 376.222 4.749 10 0 GJAERN O=C(COc1ccc(Cl)cc1)Nc1c(-c2ccc(F)cc2)n[nH]c1C1CC1 ZINC000034796917 207474333 /nfs/dbraw/zinc/47/43/33/207474333.db2.gz SJCUHXZIYMBNJQ-UHFFFAOYSA-N 0 0 385.826 4.764 10 0 GJAERN COc1ccccc1Nc1ncnc(Nc2cccc(C(F)(F)F)c2)c1N ZINC000040781506 207607583 /nfs/dbraw/zinc/60/75/83/207607583.db2.gz UPQRGAZLSYNZIT-UHFFFAOYSA-N 0 0 375.354 4.573 10 0 GJAERN CSc1ccc(CNC(=O)C2(c3ccc(NC(=O)C(C)C)cc3)CCC2)cc1 ZINC000065315339 207862452 /nfs/dbraw/zinc/86/24/52/207862452.db2.gz WUVHZPJTHWAESK-UHFFFAOYSA-N 0 0 396.556 4.741 10 0 GJAERN CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1nc2ccccc2nc1Cl ZINC000095075023 208151822 /nfs/dbraw/zinc/15/18/22/208151822.db2.gz GTFCDJJQOOFJLL-CQSZACIVSA-N 0 0 390.915 4.509 10 0 GJAERN OC[C@H]1CCCCN1c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000095078501 208153028 /nfs/dbraw/zinc/15/30/28/208153028.db2.gz ZLPYYCJGZLNDIC-MRXNPFEDSA-N 0 0 390.314 4.743 10 0 GJAERN CC(C)(C)OC(=O)N1CCCC[C@H]1COc1ncc(C(F)(F)F)cc1Cl ZINC000095086587 208155142 /nfs/dbraw/zinc/15/51/42/208155142.db2.gz VMEXBRCWVDEJJL-LBPRGKRZSA-N 0 0 394.821 4.922 10 0 GJAERN COC(=O)c1c(C)c(C)sc1NC(=O)/C=C\c1ccc(Br)cc1 ZINC000096504521 208318920 /nfs/dbraw/zinc/31/89/20/208318920.db2.gz PCMBRWNHXYETSQ-TWGQIWQCSA-N 0 0 394.290 4.566 10 0 GJAERN COc1ccc(NC(=S)N(Cc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1 ZINC000005738528 220895948 /nfs/dbraw/zinc/89/59/48/220895948.db2.gz DUIHZROEOUTXHV-IBGZPJMESA-N 0 0 390.936 4.727 10 0 GJAERN COc1ccc(Cn2ccnc2CN(C(=O)c2ccc(Cl)cc2)C(C)C)cc1 ZINC000006723689 220953336 /nfs/dbraw/zinc/95/33/36/220953336.db2.gz LFLPUQUCHYMISO-UHFFFAOYSA-N 0 0 397.906 4.644 10 0 GJAERN COc1ccc(OC)c(-c2cc(-c3ccccc3Cl)c3c(N)ncnc3n2)c1 ZINC000009694636 221089594 /nfs/dbraw/zinc/08/95/94/221089594.db2.gz VYSCYRJVOJNHMT-UHFFFAOYSA-N 0 0 392.846 4.612 10 0 GJAERN Fc1cccc(Cl)c1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1ncc[nH]1 ZINC000011819006 221130002 /nfs/dbraw/zinc/13/00/02/221130002.db2.gz HBLRBXFMEJMNOG-NRFANRHFSA-N 0 0 380.854 4.831 10 0 GJAERN O=C(c1ccccc1C(F)(F)F)N1CCN(Cc2ccccc2)c2ncccc21 ZINC000064929666 136158191 /nfs/dbraw/zinc/15/81/91/136158191.db2.gz FJRXMLBYNAVCQQ-UHFFFAOYSA-N 0 0 397.400 4.767 10 0 GJAERN COc1ccc(Nc2nc(N3CCc4ccccc4C3)nc3ccccc32)cc1 ZINC000072261073 136167798 /nfs/dbraw/zinc/16/77/98/136167798.db2.gz LSSBHXJYSQJLAR-UHFFFAOYSA-N 0 0 382.467 4.945 10 0 GJAERN O=C(COc1cccc(F)c1)c1cc(Br)sc1Br ZINC000034990314 221811379 /nfs/dbraw/zinc/81/13/79/221811379.db2.gz IMBSZLBCEGBYBR-UHFFFAOYSA-N 0 0 394.059 4.674 10 0 GJAERN Cc1nc2cc(Oc3ccc(I)cc3)c(N)cc2s1 ZINC000035342997 221818746 /nfs/dbraw/zinc/81/87/46/221818746.db2.gz SYRMXNYCYFNYPR-UHFFFAOYSA-N 0 0 382.226 4.584 10 0 GJAERN COc1ccc(Br)c(C(=O)Nc2nc(C)c(Cl)cc2Cl)c1 ZINC000037979481 221877002 /nfs/dbraw/zinc/87/70/02/221877002.db2.gz QRBYNDWXIOITBU-UHFFFAOYSA-N 0 0 390.064 4.720 10 0 GJAERN Nc1c(Nc2ccc(Br)cc2)ncnc1Nc1ccc(F)c(F)c1 ZINC000040782312 221931594 /nfs/dbraw/zinc/93/15/94/221931594.db2.gz VMOCKQRYEJQNLJ-UHFFFAOYSA-N 0 0 392.207 4.587 10 0 GJAERN Clc1cccc(-c2nnn3c2nc(NCc2cccnc2)c2ccccc23)c1 ZINC000067261517 222144139 /nfs/dbraw/zinc/14/41/39/222144139.db2.gz CZUKJAZBIYSUNV-UHFFFAOYSA-N 0 0 386.846 4.605 10 0 GJAERN CC(C)CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Oc2ccccc2)C[C@@H]1C ZINC000073655167 519706766 /nfs/dbraw/zinc/70/67/66/519706766.db2.gz OYYFEPUOUBUBTP-PKOBYXMFSA-N 0 0 390.524 4.789 10 0 GJAERN CC(=O)OC1=CC[C@@H]2[C@@H]3CC[C@@H]4Cc5c(cnn5C(C)=O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000504791605 527111781 /nfs/dbraw/zinc/11/17/81/527111781.db2.gz MWJCWSQFPJEULF-XLYFVYOPSA-N 0 0 396.531 4.558 10 0 GJAERN CCc1ccc(-n2c(=O)c3ccccc3nc2-c2ccc(OC)cc2OC)cc1 ZINC000023335045 570321736 /nfs/dbraw/zinc/32/17/36/570321736.db2.gz INBKRDLKDZZGNW-UHFFFAOYSA-N 0 0 386.451 4.632 10 0 GJAERN CCc1nc2cc(I)c(Br)cc2c(C)c1C ZINC000669372694 570372403 /nfs/dbraw/zinc/37/24/03/570372403.db2.gz WSVMGWWGZVQZCO-UHFFFAOYSA-N 0 0 390.062 4.781 10 0 GJAERN C/C=C/c1cnc(-c2cccnc2)nc1C1CCN(C(=O)CCC(C)C)CC1 ZINC000011842092 570437905 /nfs/dbraw/zinc/43/79/05/570437905.db2.gz OIEXJEJJLSSCDN-GQCTYLIASA-N 0 0 378.520 4.714 10 0 GJAERN Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C(=S)NC2CCCCC2)cc1 ZINC000006211809 570472305 /nfs/dbraw/zinc/47/23/05/570472305.db2.gz UIZZJDZOBJUBEA-UHFFFAOYSA-N 0 0 396.556 4.933 10 0 GJAERN CN(C)c1cccc(-c2nc3cc(NC(=O)c4ccc(F)cc4)ccc3o2)c1 ZINC000006710283 570546036 /nfs/dbraw/zinc/54/60/36/570546036.db2.gz DKCJKTZIOJUYQC-UHFFFAOYSA-N 0 0 375.403 4.952 10 0 GJAERN CC(C)COc1nc(-c2cccs2)n(-c2cccc(NC(=O)C3CCC3)c2)n1 ZINC000036008164 570559924 /nfs/dbraw/zinc/55/99/24/570559924.db2.gz NCSRRADIPSERBX-UHFFFAOYSA-N 0 0 396.516 4.769 10 0 GJAERN O=C(NCCC1=CCCCC1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000006769983 570579638 /nfs/dbraw/zinc/57/96/38/570579638.db2.gz YTOLUYCEHFQIQU-UHFFFAOYSA-N 0 0 396.556 4.872 10 0 GJAERN COc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1 ZINC000004357496 570697288 /nfs/dbraw/zinc/69/72/88/570697288.db2.gz GFSYJVGPGLFGOR-UHFFFAOYSA-N 0 0 388.496 4.939 10 0 GJAERN COc1ccc(-c2oc3nc4ccccc4nc3c2Br)cc1OC ZINC000196150819 570773515 /nfs/dbraw/zinc/77/35/15/570773515.db2.gz HAFVEXHBIZFPRL-UHFFFAOYSA-N 0 0 385.217 4.823 10 0 GJAERN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(SC)cc1 ZINC000004684672 570830270 /nfs/dbraw/zinc/83/02/70/570830270.db2.gz BCRHRBMHCZIVHU-LJQANCHMSA-N 0 0 379.485 4.610 10 0 GJAERN Cc1ccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000034675754 230921610 /nfs/dbraw/zinc/92/16/10/230921610.db2.gz GQSGOIGWSKJUBE-UHFFFAOYSA-N 0 0 393.531 4.703 10 0 GJAERN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(OC)cc1 ZINC000001918821 212259648 /nfs/dbraw/zinc/25/96/48/212259648.db2.gz DRBWGCJTPUSEBV-NYYWCZLTSA-N 0 0 376.250 4.508 10 0 GJAERN Cc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)o1 ZINC000001364738 212238147 /nfs/dbraw/zinc/23/81/47/212238147.db2.gz QAMKOLLOMKXESS-QGZVFWFLSA-N 0 0 393.487 4.955 10 0 GJAERN O=S(=O)(Nc1ccc2c(c1)[nH]nc2-c1ccccc1Cl)c1ccccc1 ZINC000090494915 206298341 /nfs/dbraw/zinc/29/83/41/206298341.db2.gz ABJKNBGCNSCWFV-UHFFFAOYSA-N 0 0 383.860 4.684 10 0 GJAERN CCCOc1c(CNCc2ccccc2OC)cc(Br)cc1OC ZINC000020934427 207221727 /nfs/dbraw/zinc/22/17/27/207221727.db2.gz DFJBHJDAAGSWNW-UHFFFAOYSA-N 0 0 394.309 4.545 10 0 GJAERN COc1cccc(C(=O)NCc2cccc(-c3nc(-c4ccccc4)c[nH]3)c2)c1 ZINC000023336381 207275517 /nfs/dbraw/zinc/27/55/17/207275517.db2.gz HNFIZQBBRNVFAD-UHFFFAOYSA-N 0 0 383.451 4.682 10 0 GJAERN Cc1cccc(CN2C(=O)N/C(=C\c3ccc(OC(C)C)c(Cl)c3)C2=O)c1 ZINC000033773240 207464913 /nfs/dbraw/zinc/46/49/13/207464913.db2.gz IWLHCLBBUHFUGE-WQRHYEAKSA-N 0 0 384.863 4.529 10 0 GJAERN Nc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1Nc1cc(F)ccc1F ZINC000040799895 207611083 /nfs/dbraw/zinc/61/10/83/207611083.db2.gz WHAQTZVPZXWBBE-UHFFFAOYSA-N 0 0 381.308 4.843 10 0 GJAERN O=C(Nc1ccccc1)c1nn(C(=O)c2ccc(Cl)cc2)c2ccccc12 ZINC000072177224 207988546 /nfs/dbraw/zinc/98/85/46/207988546.db2.gz ITULETHJCQHMFB-UHFFFAOYSA-N 0 0 375.815 4.631 10 0 GJAERN OC[C@@H]1CCCCN1c1nc2ccccc2n1Cc1cc(Cl)ccc1Cl ZINC000095078492 208151846 /nfs/dbraw/zinc/15/18/46/208151846.db2.gz TVDBEJVJTXLVPE-INIZCTEOSA-N 0 0 390.314 4.743 10 0 GJAERN CC(C)(C)OC(=O)N1CCC(CCCOc2cccc(Br)n2)CC1 ZINC000095083697 208152995 /nfs/dbraw/zinc/15/29/95/208152995.db2.gz TVERPIARCOXHCF-UHFFFAOYSA-N 0 0 399.329 4.650 10 0 GJAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCOCc1ccc(Br)nc1 ZINC000095086405 208155668 /nfs/dbraw/zinc/15/56/68/208155668.db2.gz QDEQYRHPOYCYIP-HNNXBMFYSA-N 0 0 399.329 4.540 10 0 GJAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCCOc1ccc(Br)cn1 ZINC000095086221 208155888 /nfs/dbraw/zinc/15/58/88/208155888.db2.gz KDOKVDBCDFEBFX-HNNXBMFYSA-N 0 0 399.329 4.793 10 0 GJAERN CC(=O)Nc1cc2cc(Br)ccc2c(OCCc2ccccc2)n1 ZINC000211744317 208816478 /nfs/dbraw/zinc/81/64/78/208816478.db2.gz AZMNWMZGTANGBC-UHFFFAOYSA-N 0 0 385.261 4.577 10 0 GJAERN COc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2Br)cc1OC ZINC000097166772 209016326 /nfs/dbraw/zinc/01/63/26/209016326.db2.gz KCBULZSMRMANGS-SNVBAGLBSA-N 0 0 398.684 4.611 10 0 GJAERN Cc1cc(C)c2nc(SCCN3C(=O)c4ccccc4C3=O)cc(C)c2c1 ZINC000006330322 220930035 /nfs/dbraw/zinc/93/00/35/220930035.db2.gz HSBLYAMQIXHXJV-UHFFFAOYSA-N 0 0 376.481 4.548 10 0 GJAERN Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)o1 ZINC000006846654 220970770 /nfs/dbraw/zinc/97/07/70/220970770.db2.gz VGXFYEBTHVDARP-KRWDZBQOSA-N 0 0 392.436 4.518 10 0 GJAERN COc1cc(-c2cccs2)cc2c1OCCN(C(=O)c1ccccc1F)C2 ZINC000012181857 221163016 /nfs/dbraw/zinc/16/30/16/221163016.db2.gz JMPWSFFEAXVDGM-UHFFFAOYSA-N 0 0 383.444 4.598 10 0 GJAERN O=C(c1ccc2ncccc2c1)N1CCC(c2ccnc(-c3ccccc3)n2)CC1 ZINC000012191127 221165503 /nfs/dbraw/zinc/16/55/03/221165503.db2.gz CXWNQZMDXSNUGU-UHFFFAOYSA-N 0 0 394.478 4.712 10 0 GJAERN C[C@@H](Nc1cc2c(cc1Cl)NC(=O)CO2)c1ccc(Br)s1 ZINC000038002700 221877020 /nfs/dbraw/zinc/87/70/20/221877020.db2.gz SBMPNTDWPQVFDE-SSDOTTSWSA-N 0 0 387.686 4.668 10 0 GJAERN O=C1CSC(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)=N1 ZINC000072414867 222258206 /nfs/dbraw/zinc/25/82/06/222258206.db2.gz SUNYHTNCCXSBQC-MRXNPFEDSA-N 0 0 390.295 4.774 10 0 GJAERN COc1ccc(Cc2ccc(N(C)C)nc2)c(F)c1-c1cccc(C(C)=O)c1 ZINC000088388338 222328040 /nfs/dbraw/zinc/32/80/40/222328040.db2.gz JHWPGYIYXDTCCK-UHFFFAOYSA-N 0 0 378.447 4.756 10 0 GJAERN OC[C@@H]1CCCCN1c1nc2ccccc2n1Cc1c(Cl)cccc1Cl ZINC000095078484 222329325 /nfs/dbraw/zinc/32/93/25/222329325.db2.gz NFIJSBQIFJWOMY-AWEZNQCLSA-N 0 0 390.314 4.743 10 0 GJAERN CC(C)N(Cc1ccccc1Cl)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095088161 222330678 /nfs/dbraw/zinc/33/06/78/222330678.db2.gz KICPGHIYCBUTHA-UHFFFAOYSA-N 0 0 394.943 4.724 10 0 GJAERN COc1cc(Sc2c3ccccc3[nH]c2-n2ccnc2)cc(OC)c1OC ZINC000095595626 222358523 /nfs/dbraw/zinc/35/85/23/222358523.db2.gz AVBIIULMFIIGCG-UHFFFAOYSA-N 0 0 381.457 4.531 10 0 GJAERN CCOC(=O)c1cc(OC)c2c(OCc3ccccc3)cc(OC)c(OC)c2c1 ZINC000095937616 222360953 /nfs/dbraw/zinc/36/09/53/222360953.db2.gz STJQJKLWOHWDEY-UHFFFAOYSA-N 0 0 396.439 4.621 10 0 GJAERN CCOC(=O)C1=CNCC(C)(C)c2c3ccc(OCc4ccccc4)cc3[nH]c21 ZINC000095938032 222361658 /nfs/dbraw/zinc/36/16/58/222361658.db2.gz QXIBLGIBKFQSDW-UHFFFAOYSA-N 0 0 390.483 4.532 10 0 GJAERN CCc1[nH]nc(-c2ccc(OC)c(OC)c2)c1NC(=O)[C@@H](CC)c1ccccc1 ZINC000034793782 570336681 /nfs/dbraw/zinc/33/66/81/570336681.db2.gz DMWLIMRBHDLPBG-KRWDZBQOSA-N 0 0 393.487 4.789 10 0 GJAERN CC[C@@H](C(=O)NC1CCCCC1)n1c(C(=O)OC)cc2sc(Cl)cc21 ZINC000005084982 570413797 /nfs/dbraw/zinc/41/37/97/570413797.db2.gz ZWHCXEGSJAWMIG-LBPRGKRZSA-N 0 0 382.913 4.543 10 0 GJAERN Cc1ccc(N2C(=O)CS[C@H]2c2ccccc2NC(=O)c2ccco2)cc1C ZINC000006733856 570558647 /nfs/dbraw/zinc/55/86/47/570558647.db2.gz XAXFOBRCDOSSRK-QFIPXVFZSA-N 0 0 392.480 4.927 10 0 GJAERN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCCOc1ccc(C)cc1 ZINC000001966481 212260594 /nfs/dbraw/zinc/26/05/94/212260594.db2.gz SQFUZCCUJWCUJX-UHFFFAOYSA-N 0 0 375.490 4.648 10 0 GJAERN CCN1C(=O)S/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O ZINC000001080278 212214867 /nfs/dbraw/zinc/21/48/67/212214867.db2.gz POWOCPYDLMBVAG-ODLFYWEKSA-N 0 0 380.444 4.885 10 0 GJAERN CCCOc1ccc2cc(C(=O)Nc3ncc(Cl)cc3Cl)c(=O)oc2c1 ZINC000033811176 212160457 /nfs/dbraw/zinc/16/04/57/212160457.db2.gz APDOWCJKJLPLCN-UHFFFAOYSA-N 0 0 393.226 4.536 10 0 GJAERN COc1ccc(CON2C(=O)CS[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000038149945 212159761 /nfs/dbraw/zinc/15/97/61/212159761.db2.gz SNHZGAUHGBBEGL-KRWDZBQOSA-N 0 0 384.284 4.708 10 0 GJAERN Cc1ncc(NC(=O)c2ccccc2F)n1-c1nc(-c2cccs2)cs1 ZINC000032642170 212109153 /nfs/dbraw/zinc/10/91/53/212109153.db2.gz JWRFENXDZGKGEN-UHFFFAOYSA-N 0 0 384.461 4.757 10 0 GJAERN COc1ccc(C(=O)Nc2sc(Br)nc2-c2cccs2)cc1 ZINC000032500057 206264362 /nfs/dbraw/zinc/26/43/62/206264362.db2.gz KVJHQNUHYJOFRX-UHFFFAOYSA-N 0 0 395.303 4.895 10 0 GJAERN COc1ccc(C(O)(COc2ccc(Cl)cc2)c2ccc(OC)cc2)cc1 ZINC000001043778 206345764 /nfs/dbraw/zinc/34/57/64/206345764.db2.gz RUYCDXGSRKLSPN-UHFFFAOYSA-N 0 0 384.859 4.672 10 0 GJAERN COc1cc(Br)c(CCC(=O)Nc2cccc(C)c2C)cc1OC ZINC000001283895 206371882 /nfs/dbraw/zinc/37/18/82/206371882.db2.gz MBZUUGKFXUQFOE-UHFFFAOYSA-N 0 0 392.293 4.654 10 0 GJAERN COc1ccc2nc(Cl)c(CN(C(=O)c3cccnc3)C3CCCC3)cc2c1 ZINC000001367813 206375620 /nfs/dbraw/zinc/37/56/20/206375620.db2.gz LCMZDVJZWMKMMK-UHFFFAOYSA-N 0 0 395.890 4.877 10 0 GJAERN COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CC[C@@H](C)C2 ZINC000001904903 206394302 /nfs/dbraw/zinc/39/43/02/206394302.db2.gz QHMPSJUZEYXYPC-GCZGVDRJSA-N 0 0 389.904 4.965 10 0 GJAERN O=C(CCOc1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000005602109 206621515 /nfs/dbraw/zinc/62/15/15/206621515.db2.gz YTVQHRHQGUDYII-UHFFFAOYSA-N 0 0 379.843 4.979 10 0 GJAERN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3OC(F)F)c12 ZINC000014211176 207016897 /nfs/dbraw/zinc/01/68/97/207016897.db2.gz MITIWTGZARGXDL-UHFFFAOYSA-N 0 0 385.326 4.645 10 0 GJAERN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1nccs1 ZINC000019607113 207143545 /nfs/dbraw/zinc/14/35/45/207143545.db2.gz ZMBGLTYBZCRJNJ-JOCHJYFZSA-N 0 0 375.497 4.781 10 0 GJAERN O=C(NC1CCCCC1)N1CCC(n2c3ncccc3nc2C2CCCC2)CC1 ZINC000021020617 207224066 /nfs/dbraw/zinc/22/40/66/207224066.db2.gz ZTUWTPGFMVSSTA-UHFFFAOYSA-N 0 0 395.551 4.768 10 0 GJAERN c1csc(C2=Nc3ccccc3N=C(c3ccc(N4CCOCC4)cc3)N2)c1 ZINC000021169683 207228201 /nfs/dbraw/zinc/22/82/01/207228201.db2.gz NNNOQGZRSAEUPY-UHFFFAOYSA-N 0 0 388.496 4.535 10 0 GJAERN Brc1ccc2nccc(-c3c4n(nc3-c3ccccn3)CCC4)c2c1 ZINC000034292820 207467113 /nfs/dbraw/zinc/46/71/13/207467113.db2.gz IBVWKPKFYZDRFF-UHFFFAOYSA-N 0 0 391.272 4.869 10 0 GJAERN O=c1nc(C(F)(F)F)c2c([nH]1)C(=Cc1ccc(Cl)cc1Cl)CCC2 ZINC000043463587 207629160 /nfs/dbraw/zinc/62/91/60/207629160.db2.gz MZNBLGKKPGFARK-RMKNXTFCSA-N 0 0 375.177 4.972 10 0 GJAERN O=c1c2sccc2nc(SCc2ccccc2)n1Cc1ccc(F)cc1 ZINC000071327558 207936782 /nfs/dbraw/zinc/93/67/82/207936782.db2.gz SRLIOMUKBOMHML-UHFFFAOYSA-N 0 0 382.485 4.938 10 0 GJAERN CC(C)N(Cc1ccccc1Cl)C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095088157 208154217 /nfs/dbraw/zinc/15/42/17/208154217.db2.gz NXYLTXWWABOVTJ-SFHVURJKSA-N 0 0 394.943 4.867 10 0 GJAERN Cc1nc(-c2ccc(C(F)(F)F)cc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000096323950 208308520 /nfs/dbraw/zinc/30/85/20/208308520.db2.gz SJQSVOFTDCLWGE-UHFFFAOYSA-N 0 0 389.352 4.540 10 0 GJAERN O=C(Nc1ccc(F)cc1)[C@@H]1CN(C(=O)Nc2ccc(F)cc2)CC12CCCC2 ZINC000096310112 208304946 /nfs/dbraw/zinc/30/49/46/208304946.db2.gz GSAXLVHLQQXIFI-IBGZPJMESA-N 0 0 399.441 4.628 10 0 GJAERN Nc1sc2c(c1C(=O)c1ccc(C(F)(F)F)cc1Br)CCC2 ZINC000097053729 208336304 /nfs/dbraw/zinc/33/63/04/208336304.db2.gz APEWQMVOPGGYTF-UHFFFAOYSA-N 0 0 390.224 4.831 10 0 GJAERN COc1cccc(-c2nn(-c3ccccc3)cc2CN(C)[C@@H](C)c2ccon2)c1 ZINC000012073745 221147008 /nfs/dbraw/zinc/14/70/08/221147008.db2.gz DHRFQRVILZBOBJ-KRWDZBQOSA-N 0 0 388.471 4.729 10 0 GJAERN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC(C)(C)C)C3)s1 ZINC000012279988 221174310 /nfs/dbraw/zinc/17/43/10/221174310.db2.gz HKBUSQOXVDLMEG-HNNXBMFYSA-N 0 0 389.492 4.613 10 0 GJAERN CC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccc(C)o3)c3ccccc3n2)cc1 ZINC000015868443 221351081 /nfs/dbraw/zinc/35/10/81/221351081.db2.gz KVYQYKVFTFUQFC-UHFFFAOYSA-N 0 0 399.450 4.692 10 0 GJAERN C[C@@H](/N=c1\ccccn1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000018069098 221387074 /nfs/dbraw/zinc/38/70/74/221387074.db2.gz KXEUIJWKGSCQCR-MQTUIEQJSA-N 0 0 375.350 4.842 10 0 GJAERN Cc1c2c(c(C)n1-c1ccc(C(=O)NCc3ccc(C)cc3)cc1)c(C)nnc2C ZINC000020860601 221513858 /nfs/dbraw/zinc/51/38/58/221513858.db2.gz MIORCXAEFJMOCL-UHFFFAOYSA-N 0 0 398.510 4.893 10 0 GJAERN COc1ccc(Br)cc1/C=C/c1nc2ccc(Cl)cc2c(=O)o1 ZINC000033458505 221792653 /nfs/dbraw/zinc/79/26/53/221792653.db2.gz ZFEDFEYKUPNMEH-FARCUNLSSA-N 0 0 392.636 4.783 10 0 GJAERN Cc1nn(C)c2nc(OCc3nc(-c4cc(C)ccc4C)oc3C)cc(C)c12 ZINC000045995360 221968161 /nfs/dbraw/zinc/96/81/61/221968161.db2.gz AASBKWVEOWIIMV-UHFFFAOYSA-N 0 0 376.460 4.744 10 0 GJAERN Cc1cccc(NC(=O)N2CCC[C@H](CCC(=O)N[C@@H](C)c3ccccc3)C2)c1 ZINC000065136509 222103594 /nfs/dbraw/zinc/10/35/94/222103594.db2.gz SVLRRMDAYWKELV-VQTJNVASSA-N 0 0 393.531 4.897 10 0 GJAERN COc1ccc(NC(=O)Nc2c(-c3ccsc3)nc3ccccn32)cc1OC ZINC000064611225 222076105 /nfs/dbraw/zinc/07/61/05/222076105.db2.gz YOOLOIPIVNWBAY-UHFFFAOYSA-N 0 0 394.456 4.724 10 0 GJAERN O=C(NCc1cccs1)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 ZINC000064956023 222089164 /nfs/dbraw/zinc/08/91/64/222089164.db2.gz DRBARLHPGJKFIK-UHFFFAOYSA-N 0 0 381.888 4.730 10 0 GJAERN CCOC(=O)c1sc2nc(C)nc(Nc3cc(Cl)ccc3O)c2c1C ZINC000072260947 222218392 /nfs/dbraw/zinc/21/83/92/222218392.db2.gz KJQFXXJCDBUHRR-UHFFFAOYSA-N 0 0 377.853 4.587 10 0 GJAERN CC(=O)Nc1ccc(Nc2nc(-c3cccnc3)nc3sc(C)cc32)cc1 ZINC000072260942 222218439 /nfs/dbraw/zinc/21/84/39/222218439.db2.gz JMOZXFQPSXHQGJ-UHFFFAOYSA-N 0 0 375.457 4.764 10 0 GJAERN CSc1nc(Cl)cc(SCC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000085333295 222323422 /nfs/dbraw/zinc/32/34/22/222323422.db2.gz ZMGQQHHMAFPBHA-UHFFFAOYSA-N 0 0 389.974 4.591 10 0 GJAERN COC(=O)c1cc(Cl)ccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000095929921 222361083 /nfs/dbraw/zinc/36/10/83/222361083.db2.gz UECSFVRIQLMNAV-CABCVRRESA-N 0 0 377.868 4.682 10 0 GJAERN CC(C)CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)Oc2ccccc2)C[C@@H]1C ZINC000073655161 519706774 /nfs/dbraw/zinc/70/67/74/519706774.db2.gz OYYFEPUOUBUBTP-HKUYNNGSSA-N 0 0 390.524 4.789 10 0 GJAERN Cc1cc(F)ccc1Nc1nc(Cl)c2c(n1)CCN(Cc1ccccc1)C2 ZINC000057343715 524998651 /nfs/dbraw/zinc/99/86/51/524998651.db2.gz KXEGSYSMBZCVIE-UHFFFAOYSA-N 0 0 382.870 4.879 10 0 GJAERN O=C(Cc1nc2cc(Cl)c(Cl)cc2[nH]c1=O)c1cccc2ccccc21 ZINC000004641257 570389039 /nfs/dbraw/zinc/38/90/39/570389039.db2.gz KCULWMHAYYJFCC-UHFFFAOYSA-N 0 0 383.234 4.809 10 0 GJAERN COc1ccc(C2=NN(C(N)=S)[C@H](c3ccc(Cl)cc3Cl)C2)cc1F ZINC000005527231 570444201 /nfs/dbraw/zinc/44/42/01/570444201.db2.gz WYQBQXGFACUSSQ-HNNXBMFYSA-N 0 0 398.290 4.536 10 0 GJAERN CCOC(=O)c1cc(-c2cccc(OC)c2)nc2ccc(Br)cc21 ZINC000005717983 570453134 /nfs/dbraw/zinc/45/31/34/570453134.db2.gz LZCDOMPQVRSPFJ-UHFFFAOYSA-N 0 0 386.245 4.850 10 0 GJAERN CC(C)c1ccc(CC(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cn2)cc1 ZINC000669678963 570493833 /nfs/dbraw/zinc/49/38/33/570493833.db2.gz IQIKXZMPPBEWAD-AWEZNQCLSA-N 0 0 380.410 4.566 10 0 GJAERN C[C@H](c1ccc(F)cc1)N(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 ZINC000036246600 570581245 /nfs/dbraw/zinc/58/12/45/570581245.db2.gz GTRFWLCUJFJMSH-OAHLLOKOSA-N 0 0 399.443 4.511 10 0 GJAERN CCc1cc(Oc2ccc3c(c2)OCO3)nc(SCc2cccc(F)c2)n1 ZINC000036350097 570633771 /nfs/dbraw/zinc/63/37/71/570633771.db2.gz JVXFDQDTEQVHKS-UHFFFAOYSA-N 0 0 384.432 4.991 10 0 GJAERN CNC(=O)Nc1cc(C)cc2c1[nH]c(C(=O)NCCC(C)C)c2-c1ccccc1 ZINC000033127302 570819593 /nfs/dbraw/zinc/81/95/93/570819593.db2.gz JCYYZAPGHVPSSR-UHFFFAOYSA-N 0 0 392.503 4.671 10 0 GJAERN CCCCN(CC(=O)Nc1nccs1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000004569750 570891683 /nfs/dbraw/zinc/89/16/83/570891683.db2.gz QHPBRBZASNESOS-UHFFFAOYSA-N 0 0 393.512 4.691 10 0 GJAERN Fc1c(Br)cccc1-c1cccc(I)c1 ZINC000725244342 571029834 /nfs/dbraw/zinc/02/98/34/571029834.db2.gz MUMZAHGVWUHNMC-UHFFFAOYSA-N 0 0 376.994 4.860 10 0 GJAERN Cc1cccc(Cn2cccc2C2=N[C@H](CSCc3ccccc3)CO2)c1 ZINC000004970551 571036689 /nfs/dbraw/zinc/03/66/89/571036689.db2.gz AIZVXGDIXKCFLG-NRFANRHFSA-N 0 0 376.525 4.924 10 0 GJAERN CCOc1ccc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)cc1OCC ZINC000000672674 212171790 /nfs/dbraw/zinc/17/17/90/212171790.db2.gz PREBWCQBZNZJME-FOWTUZBSSA-N 0 0 384.863 4.944 10 0 GJAERN O=C(Nc1ccc(Cl)cc1)OCc1nccn1Cc1ccc(Cl)cc1 ZINC000001039381 206344351 /nfs/dbraw/zinc/34/43/51/206344351.db2.gz RJARDLXMFDWVCG-UHFFFAOYSA-N 0 0 376.243 4.987 10 0 GJAERN CCOC(=O)c1c(NC(=O)COc2cccc(C(C)C)c2)sc2c1CCC2 ZINC000001930936 206394295 /nfs/dbraw/zinc/39/42/95/206394295.db2.gz JXCLSLKTOWLPDI-UHFFFAOYSA-N 0 0 387.501 4.554 10 0 GJAERN CCOc1ccc(-c2csc(NC(=O)/C=C/c3ccc(OC)cc3)n2)cc1 ZINC000001966452 206396198 /nfs/dbraw/zinc/39/61/98/206396198.db2.gz FRTXORAWXBCHJZ-AWNIVKPZSA-N 0 0 380.469 4.869 10 0 GJAERN CC(C)(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccccc4)nc3C2)cc1 ZINC000002448720 206417769 /nfs/dbraw/zinc/41/77/69/206417769.db2.gz RXMQNEJYUMMSLI-GOSISDBHSA-N 0 0 399.494 4.939 10 0 GJAERN Brc1ccc(NCc2cc3c(cc2Br)OCO3)cc1 ZINC000035116441 206423570 /nfs/dbraw/zinc/42/35/70/206423570.db2.gz WNGNJJXCCDRJJS-UHFFFAOYSA-N 0 0 385.055 4.552 10 0 GJAERN COc1cccc(CNCc2ccco2)c1OCc1ccc(F)cc1Cl ZINC000020876286 207217805 /nfs/dbraw/zinc/21/78/05/207217805.db2.gz BJWWIWHOKDMPLG-UHFFFAOYSA-N 0 0 375.827 4.950 10 0 GJAERN Nc1c(Nc2cccnc2Cl)ncnc1Nc1cc(Cl)ccc1Cl ZINC000040778464 207608561 /nfs/dbraw/zinc/60/85/61/207608561.db2.gz CGXCBECIIYACRI-UHFFFAOYSA-N 0 0 381.654 4.901 10 0 GJAERN Cc1ccc(OCC(=O)c2ccccc2Br)c(Br)c1 ZINC000047821041 207682916 /nfs/dbraw/zinc/68/29/16/207682916.db2.gz VHDVAXVTIQMIDH-UHFFFAOYSA-N 0 0 384.067 4.782 10 0 GJAERN OC[C@@H]1CCCCN1c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000095078502 208153760 /nfs/dbraw/zinc/15/37/60/208153760.db2.gz ZLPYYCJGZLNDIC-INIZCTEOSA-N 0 0 390.314 4.743 10 0 GJAERN Cc1nc(-c2ccc(C(F)(F)F)cc2)ncc1C(=O)NCc1cccc(F)c1 ZINC000096323971 208308800 /nfs/dbraw/zinc/30/88/00/208308800.db2.gz XDCJLSXWXWUSNN-UHFFFAOYSA-N 0 0 389.352 4.540 10 0 GJAERN CCOc1ccc([C@H]2C[C@@H](c3cccc(Br)c3)n3ncnc3N2)cc1 ZINC000002471938 220537353 /nfs/dbraw/zinc/53/73/53/220537353.db2.gz NAJRNCBWIZWGEZ-MSOLQXFVSA-N 0 0 399.292 4.586 10 0 GJAERN Cc1ccc2sc(-c3ccc(N4C(=O)[C@@H]5CC=C[C@@H](C)[C@H]5C4=O)cc3)nc2c1 ZINC000230064451 209004698 /nfs/dbraw/zinc/00/46/98/209004698.db2.gz WGEDCDFGJDEDAY-WIBUTAKZSA-N 0 0 388.492 4.973 10 0 GJAERN CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000006310383 220928865 /nfs/dbraw/zinc/92/88/65/220928865.db2.gz KSNSMXBYRZBFGI-UHFFFAOYSA-N 0 0 394.581 4.796 10 0 GJAERN Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)c2ccco2)cc1C ZINC000006733857 220955079 /nfs/dbraw/zinc/95/50/79/220955079.db2.gz XAXFOBRCDOSSRK-JOCHJYFZSA-N 0 0 392.480 4.927 10 0 GJAERN CNC(=O)c1cccc(Nc2ncnc3cc(-c4ccc(F)cc4)sc32)c1 ZINC000009339334 221078299 /nfs/dbraw/zinc/07/82/99/221078299.db2.gz DTZVLDCCOWSLEU-UHFFFAOYSA-N 0 0 378.432 4.601 10 0 GJAERN C[C@H]1CCCCN1C(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 ZINC000012052940 221145833 /nfs/dbraw/zinc/14/58/33/221145833.db2.gz GPQZTKZVDMXKGC-HNNXBMFYSA-N 0 0 387.911 4.527 10 0 GJAERN CCc1noc(C)c1C(=O)N1Cc2cc(C)ccc2O[C@H](c2ccsc2)C1 ZINC000011909509 221136258 /nfs/dbraw/zinc/13/62/58/221136258.db2.gz DOSFRJCZHPEFQX-IBGZPJMESA-N 0 0 382.485 4.691 10 0 GJAERN CC(C)c1nc2cc(C(=O)N(C)Cc3cc(-c4ccccc4)no3)ccc2o1 ZINC000012302420 221177896 /nfs/dbraw/zinc/17/78/96/221177896.db2.gz KHCLNZSVJLEFIT-UHFFFAOYSA-N 0 0 375.428 4.878 10 0 GJAERN CC1(C)CCC/C(=C\c2ccc(Br)cc2)[C@]1(O)Cn1ccnc1 ZINC000020568391 221498880 /nfs/dbraw/zinc/49/88/80/221498880.db2.gz RQUNKOFOOZBILH-APEZIOSESA-N 0 0 375.310 4.670 10 0 GJAERN C[C@@H]1CN(c2ncccc2Cl)CC=C1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000059131177 136155725 /nfs/dbraw/zinc/15/57/25/136155725.db2.gz IYXRQYVHUISAIP-GFCCVEGCSA-N 0 0 395.812 4.775 10 0 GJAERN Nc1ccc([C@@](O)(c2nc3ccccc3s2)C(F)(F)F)c2c1CCCC2 ZINC000024927069 221620267 /nfs/dbraw/zinc/62/02/67/221620267.db2.gz FUEBSWXDZAHDST-GOSISDBHSA-N 0 0 378.419 4.556 10 0 GJAERN CCOc1ccccc1N1CCN(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)CC1 ZINC000033321377 221787703 /nfs/dbraw/zinc/78/77/03/221787703.db2.gz WSODGFPKIJCUMS-QINSGFPZSA-N 0 0 392.543 4.745 10 0 GJAERN COC(=O)c1ccc(Nc2nc(-c3cccnc3)nc3sc(C)cc32)cc1 ZINC000072260853 222218847 /nfs/dbraw/zinc/21/88/47/222218847.db2.gz XPUKTQPXTHBUPF-UHFFFAOYSA-N 0 0 376.441 4.592 10 0 GJAERN OCC1CCN(c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1 ZINC000095078691 222329433 /nfs/dbraw/zinc/32/94/33/222329433.db2.gz IMJUPMYPVILENX-UHFFFAOYSA-N 0 0 390.314 4.600 10 0 GJAERN CCN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095091134 222330712 /nfs/dbraw/zinc/33/07/12/222330712.db2.gz JZPQGNAUPVWNNT-QGZVFWFLSA-N 0 0 398.906 4.617 10 0 GJAERN Cc1cc(C)cc(CC(=O)c2cc(I)c(Cl)cc2N)c1 ZINC000095705128 222359829 /nfs/dbraw/zinc/35/98/29/222359829.db2.gz QEQZBIKRXZDEEG-UHFFFAOYSA-N 0 0 399.659 4.569 10 0 GJAERN CCOC(=O)c1[nH]c2ccccc2c1C1=C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000095929919 222361483 /nfs/dbraw/zinc/36/14/83/222361483.db2.gz SVEPBKCRLCGCQG-CVEARBPZSA-N 0 0 396.487 4.900 10 0 GJAERN CCCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)OCc2ccccc2)[C@H](C)C1 ZINC000073657180 521431201 /nfs/dbraw/zinc/43/12/01/521431201.db2.gz NTCLZCXIGYCTOY-MJGOQNOKSA-N 0 0 390.524 4.823 10 0 GJAERN O=C(Nc1c(-c2ccc3c(c2)OCO3)n[nH]c1C1CC1)c1ccccc1Cl ZINC000034794529 570337123 /nfs/dbraw/zinc/33/71/23/570337123.db2.gz REMVKIDQJHUBMU-UHFFFAOYSA-N 0 0 381.819 4.589 10 0 GJAERN CCc1ccc(Nc2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1 ZINC000004910390 570362788 /nfs/dbraw/zinc/36/27/88/570362788.db2.gz ATBWMCGVFJLZGL-UHFFFAOYSA-N 0 0 382.467 4.866 10 0 GJAERN COc1cc(C)c(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1C(C)C ZINC000004526116 570382006 /nfs/dbraw/zinc/38/20/06/570382006.db2.gz DMNXVYUWDOTKCP-ODLFYWEKSA-N 0 0 398.890 4.873 10 0 GJAERN COc1ccc2oc(=O)c(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2c1 ZINC000005177352 570494073 /nfs/dbraw/zinc/49/40/73/570494073.db2.gz RPTMXFDFFAKWQF-XVNBXDOJSA-N 0 0 390.222 4.760 10 0 GJAERN CCOc1cc(CN2CCCn3cccc3[C@@H]2c2ccc(F)c(F)c2)ccc1O ZINC000036348677 570631009 /nfs/dbraw/zinc/63/10/09/570631009.db2.gz HHBPJNPBCSQIGX-QHCPKHFHSA-N 0 0 398.453 4.866 10 0 GJAERN C[C@H](NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1)c1ccccc1 ZINC000006875522 570665846 /nfs/dbraw/zinc/66/58/46/570665846.db2.gz JTRFDSNYMRCLKJ-IWMITWMQSA-N 0 0 390.508 4.536 10 0 GJAERN O=C(NC1CC1)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023308728 570796175 /nfs/dbraw/zinc/79/61/75/570796175.db2.gz BDRGBQOGUQHGOY-UHFFFAOYSA-N 0 0 386.499 4.626 10 0 GJAERN CC[C@@H](C)NC(=O)c1ncc(C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc21 ZINC000004563409 570890223 /nfs/dbraw/zinc/89/02/23/570890223.db2.gz OUEQLNVNHCDETH-CQSZACIVSA-N 0 0 395.890 4.977 10 0 GJAERN Oc1ccc(C(F)(F)F)cc1NC(=S)Nc1cc(C(F)(F)F)ccc1O ZINC000504500239 231323034 /nfs/dbraw/zinc/32/30/34/231323034.db2.gz SFTMBGFCXLJJGQ-UHFFFAOYSA-N 0 0 396.312 4.944 10 0 GJAERN CCCOc1ccc(/C=C/C(=O)Nc2ccc(N(CC)CC)cc2)cc1OC ZINC000001934699 212260194 /nfs/dbraw/zinc/26/01/94/212260194.db2.gz IHEVHOGGMZKWOK-OQLLNIDSSA-N 0 0 382.504 4.982 10 0 GJAERN CCOC(=O)c1cc(Cl)c(NC(=O)c2ccc(C(C)C)cc2)cc1OC ZINC000001284259 212233896 /nfs/dbraw/zinc/23/38/96/212233896.db2.gz PDJNELAHNWCCFG-UHFFFAOYSA-N 0 0 375.852 4.901 10 0 GJAERN CCCCc1cc2c(cc1-c1ncnc3c1ncn3Cc1ccccc1)COC2 ZINC000036408606 212159894 /nfs/dbraw/zinc/15/98/94/212159894.db2.gz KBHWNFLWVNQTIU-UHFFFAOYSA-N 0 0 384.483 4.914 10 0 GJAERN CC[C@H](C)[C@@H](NC(=O)[C@@H](CCSC)n1cccc1)c1nc2ccccc2[nH]1 ZINC000334160731 206254336 /nfs/dbraw/zinc/25/43/36/206254336.db2.gz LETXEFIBVVVPKP-KFKAGJAMSA-N 0 0 384.549 4.562 10 0 GJAERN CS(=O)(=O)C(=C1CN(C(c2ccccc2)c2ccccc2)C1)c1ccccc1 ZINC000090556697 206297878 /nfs/dbraw/zinc/29/78/78/206297878.db2.gz DYAHYJVGFCXPLL-UHFFFAOYSA-N 0 0 389.520 4.548 10 0 GJAERN COc1ccc2sc(-n3c(=O)c4ccccc4nc3-c3ccccc3)nc2c1 ZINC000090548441 206298742 /nfs/dbraw/zinc/29/87/42/206298742.db2.gz IMFQLRJEQYJKQT-UHFFFAOYSA-N 0 0 385.448 4.671 10 0 GJAERN COc1cccc2sc(-n3c(=O)c4ccccc4nc3-c3ccccc3)nc21 ZINC000090554971 206299301 /nfs/dbraw/zinc/29/93/01/206299301.db2.gz VCXQZJPMKFYJGY-UHFFFAOYSA-N 0 0 385.448 4.671 10 0 GJAERN O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccc(Br)o1 ZINC000000629948 206310004 /nfs/dbraw/zinc/31/00/04/206310004.db2.gz VCFDOLSJXDBOIX-UHFFFAOYSA-N 0 0 382.217 4.609 10 0 GJAERN O=C(Nc1ccccc1)c1cccc(NC2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000034807402 206305599 /nfs/dbraw/zinc/30/55/99/206305599.db2.gz WPVREEXSXOLTOH-UHFFFAOYSA-N 0 0 399.494 4.656 10 0 GJAERN COC(=O)c1cccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1 ZINC000001925811 206394486 /nfs/dbraw/zinc/39/44/86/206394486.db2.gz UGPLSTRRJZLWJS-NTCAYCPXSA-N 0 0 387.435 4.704 10 0 GJAERN CCc1ccc(NC(=O)/C=C/c2cc(Br)c(OC)c(OC)c2)cc1 ZINC000001983667 206396066 /nfs/dbraw/zinc/39/60/66/206396066.db2.gz ISCCJVBUQRGFRJ-JXMROGBWSA-N 0 0 390.277 4.681 10 0 GJAERN Cc1ccc(-c2nc(C(=O)Nc3cccnc3Cl)c3n2CCCCC3)cc1 ZINC000015677707 207054042 /nfs/dbraw/zinc/05/40/42/207054042.db2.gz BTSIVZPRTPBHLC-UHFFFAOYSA-N 0 0 380.879 4.886 10 0 GJAERN CCN(CC)C(=O)c1ccc(-c2nc(CN3CCc4ccccc43)c(C)o2)cc1 ZINC000015785937 207061976 /nfs/dbraw/zinc/06/19/76/207061976.db2.gz SQJZOCZCHPXJBH-UHFFFAOYSA-N 0 0 389.499 4.695 10 0 GJAERN COCc1ccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(C)n2)o1 ZINC000019720362 207155705 /nfs/dbraw/zinc/15/57/05/207155705.db2.gz TWHLDQXHRGUDFZ-DEOSSOPVSA-N 0 0 387.483 4.758 10 0 GJAERN Cc1ccc(-c2noc(CN(C(=S)Nc3ccccc3C)C(C)C)n2)cc1 ZINC000020394223 207191734 /nfs/dbraw/zinc/19/17/34/207191734.db2.gz SWLKWBLYHFGNNZ-UHFFFAOYSA-N 0 0 380.517 4.961 10 0 GJAERN COC(=O)c1cc(N[C@@H](C)c2ccc(Br)s2)c(F)cc1F ZINC000038003029 207249553 /nfs/dbraw/zinc/24/95/53/207249553.db2.gz TURJRRDRUBNERD-ZETCQYMHSA-N 0 0 376.222 4.749 10 0 GJAERN CC(C)(C)OC(=O)N1CC[C@H](CSc2nc3ccccc3nc2Cl)C1 ZINC000085333490 208100346 /nfs/dbraw/zinc/10/03/46/208100346.db2.gz KCODCINJOGYZSQ-LBPRGKRZSA-N 0 0 379.913 4.632 10 0 GJAERN CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)c2ccc(Cl)cc2C1 ZINC000091692586 208133971 /nfs/dbraw/zinc/13/39/71/208133971.db2.gz BESSGDYWEYAQQY-UHFFFAOYSA-N 0 0 382.888 4.832 10 0 GJAERN COCCc1c(C)[nH]c2c(c3nc4ccccc4nc3n2Cc2ccccc2)c1=O ZINC000102238328 208402918 /nfs/dbraw/zinc/40/29/18/208402918.db2.gz PTPBYKSVNGOBMV-KRWDZBQOSA-N 0 0 398.466 4.574 10 0 GJAERN CC[C@@H]1c2c(nc(C)nc2SCC(=O)Nc2ccc(F)cc2)S[C@@H]1C ZINC000215966630 208819645 /nfs/dbraw/zinc/81/96/45/208819645.db2.gz WQKPUMYQXZFQTN-YGRLFVJLSA-N 0 0 377.510 4.643 10 0 GJAERN CNC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000004348753 220710116 /nfs/dbraw/zinc/71/01/16/220710116.db2.gz FKDKBTAXFLPWSO-UHFFFAOYSA-N 0 0 383.300 4.546 10 0 GJAERN COc1ccc(CN(Cc2ccncc2)C(=S)Nc2ccccc2F)cc1 ZINC000006296120 220927738 /nfs/dbraw/zinc/92/77/38/220927738.db2.gz FHHKGVKRCSEZPN-UHFFFAOYSA-N 0 0 381.476 4.629 10 0 GJAERN COC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000006751080 220957909 /nfs/dbraw/zinc/95/79/09/220957909.db2.gz UXWJDNDBJMRREG-UHFFFAOYSA-N 0 0 389.480 4.559 10 0 GJAERN CCN(C(=O)c1cccc2c1SCCC2=O)c1cc(Cl)ccc1OC ZINC000006841588 220970852 /nfs/dbraw/zinc/97/08/52/220970852.db2.gz AWELJZCXAIXTDJ-UHFFFAOYSA-N 0 0 375.877 4.694 10 0 GJAERN COC(=O)c1sc2ncnc(Nc3ccc(N4CCC(C)CC4)cc3)c2c1C ZINC000012084636 221148394 /nfs/dbraw/zinc/14/83/94/221148394.db2.gz GPZDFNMIWQBQLL-UHFFFAOYSA-N 0 0 396.516 4.766 10 0 GJAERN O=C(CCc1ccccc1)NC(=S)Nc1ccc(OCc2ccccc2)cc1 ZINC000014036350 221297574 /nfs/dbraw/zinc/29/75/74/221297574.db2.gz BBFXJMWUBYFWCV-UHFFFAOYSA-N 0 0 390.508 4.711 10 0 GJAERN COc1c(C)c2sc(NCCCC(=O)NC3CCCCC3)nc2c(C)c1C ZINC000039127784 221886034 /nfs/dbraw/zinc/88/60/34/221886034.db2.gz RDVKIUVEJLLVFV-UHFFFAOYSA-N 0 0 389.565 4.871 10 0 GJAERN O=C(Nc1cccc(-c2ccccc2)c1)[C@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000040767091 221930573 /nfs/dbraw/zinc/93/05/73/221930573.db2.gz PBKXJKOUQVSIQT-FQEVSTJZSA-N 0 0 376.500 4.863 10 0 GJAERN CCOc1c2cc(NC(=O)NC3CCCCC3)ccc2sc1C(=O)OC ZINC000065022953 222094926 /nfs/dbraw/zinc/09/49/26/222094926.db2.gz AWEWUZKEERJJCT-UHFFFAOYSA-N 0 0 376.478 4.541 10 0 GJAERN Cc1sc2c(ncn(C3CCCCC3)c2=O)c1C(=O)Nc1ccccc1F ZINC000065297692 222121960 /nfs/dbraw/zinc/12/19/60/222121960.db2.gz CZEPYUMJARBVIL-UHFFFAOYSA-N 0 0 385.464 4.663 10 0 GJAERN COc1cccc(CCNc2nc(-c3cccnc3)nc3sc(C)cc32)c1 ZINC000072260814 222219023 /nfs/dbraw/zinc/21/90/23/222219023.db2.gz KRNUDAIKLKJUEZ-UHFFFAOYSA-N 0 0 376.485 4.725 10 0 GJAERN OC[C@H]1CCCN(c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)C1 ZINC000095078563 222329441 /nfs/dbraw/zinc/32/94/41/222329441.db2.gz UYVKPTWPGIHMCK-AWEZNQCLSA-N 0 0 390.314 4.600 10 0 GJAERN CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ncc(C(F)(F)F)cc1Cl ZINC000095085847 222330980 /nfs/dbraw/zinc/33/09/80/222330980.db2.gz QKNCKPLHZVPHBY-LLVKDONJSA-N 0 0 380.794 4.532 10 0 GJAERN COc1ccc(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000095594507 222358320 /nfs/dbraw/zinc/35/83/20/222358320.db2.gz FNKBEGHNLRZRKZ-UHFFFAOYSA-N 0 0 382.630 4.525 10 0 GJAERN CC(C)(C)Oc1ncnc2c(Br)cn(COCc3ccccc3)c21 ZINC000095936003 222360488 /nfs/dbraw/zinc/36/04/88/222360488.db2.gz BFODJYCAHLRACJ-UHFFFAOYSA-N 0 0 390.281 4.545 10 0 GJAERN Fc1cccc(F)c1Nc1nc(Cl)c2c(n1)CCN(Cc1ccccc1)C2 ZINC000057343694 526394048 /nfs/dbraw/zinc/39/40/48/526394048.db2.gz ITPGKBQFIQKUOH-UHFFFAOYSA-N 0 0 386.833 4.710 10 0 GJAERN CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)ccc1I ZINC000306821945 526496050 /nfs/dbraw/zinc/49/60/50/526496050.db2.gz PVGSKBYUPGYKOR-UHFFFAOYSA-N 0 0 387.139 4.657 10 0 GJAERN COc1cc(OC)cc(-c2nc(COc3ccccc3-c3ccccc3)no2)c1 ZINC000034906980 570339445 /nfs/dbraw/zinc/33/94/45/570339445.db2.gz HRHBJZZIBBVZHB-UHFFFAOYSA-N 0 0 388.423 5.000 10 0 GJAERN Cc1ccc(NC(=O)c2nc(CCc3ccccc3)n(-c3cccc(C)c3)n2)cc1 ZINC000034911701 570341054 /nfs/dbraw/zinc/34/10/54/570341054.db2.gz BNMVDUVAOFAXKL-UHFFFAOYSA-N 0 0 396.494 4.922 10 0 GJAERN COc1cccc(C(=O)Nc2c(-c3ccccc3F)nc3ccc(C)cn32)c1 ZINC000034913041 570346759 /nfs/dbraw/zinc/34/67/59/570346759.db2.gz RRCHDGPYIXXIAS-UHFFFAOYSA-N 0 0 375.403 4.710 10 0 GJAERN Cc1cc2sc(N3CCC[C@@H](C(=O)NCc4cccc(F)c4)C3)nc2c(C)c1 ZINC000005107823 570418661 /nfs/dbraw/zinc/41/86/61/570418661.db2.gz IPMSQGUHSUEAED-QGZVFWFLSA-N 0 0 397.519 4.585 10 0 GJAERN CC(C)(C)c1ccc([C@@H](CC(=O)N2CCOCC2)c2c[nH]c3ccccc32)cc1 ZINC000006837378 570638427 /nfs/dbraw/zinc/63/84/27/570638427.db2.gz QXDSWGALQKUIHU-OAQYLSRUSA-N 0 0 390.527 4.846 10 0 GJAERN Cc1c(C)n(-c2ccc(F)cc2)c2ncnc(Nc3ccc4c(c3)OCCO4)c12 ZINC000033252575 570860766 /nfs/dbraw/zinc/86/07/66/570860766.db2.gz JAYZVBDECQJPKY-UHFFFAOYSA-N 0 0 390.418 4.691 10 0 GJAERN O=C(NC1CCCCCC1)[C@H]1c2ccccc2C(=O)N1CCC1=CCCCC1 ZINC000004894349 571005201 /nfs/dbraw/zinc/00/52/01/571005201.db2.gz JGCMBXQMQHUUCF-JOCHJYFZSA-N 0 0 380.532 4.913 10 0 GJAERN CC[C@@H](C(=O)NC)N(c1nc(-c2ccc(F)cc2)cs1)c1ccc(OC)cc1 ZINC000037440314 571013735 /nfs/dbraw/zinc/01/37/35/571013735.db2.gz JZDBQSUSKOYACA-IBGZPJMESA-N 0 0 399.491 4.621 10 0 GJAERN COC(=O)c1cc(Cl)c(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1OC ZINC000001904843 212260077 /nfs/dbraw/zinc/26/00/77/212260077.db2.gz OTELBKCLBBWDLW-JXMROGBWSA-N 0 0 387.863 4.911 10 0 GJAERN COc1cc(Br)c(CCC(=O)Nc2cc(C)cc(C)c2)cc1OC ZINC000001283900 212234451 /nfs/dbraw/zinc/23/44/51/212234451.db2.gz PDOYSDUKFWWWRV-UHFFFAOYSA-N 0 0 392.293 4.654 10 0 GJAERN COc1cc(Br)c(CCC(=O)Nc2ccccc2Cl)cc1OC ZINC000001283940 212233746 /nfs/dbraw/zinc/23/37/46/212233746.db2.gz CFJGUYBTMUZITQ-UHFFFAOYSA-N 0 0 398.684 4.691 10 0 GJAERN COc1c(Br)cc(Br)cc1CN[C@@H](C)c1ccco1 ZINC000035012574 212227422 /nfs/dbraw/zinc/22/74/22/212227422.db2.gz JADVVDBPFGZTDD-VIFPVBQESA-N 0 0 389.087 4.664 10 0 GJAERN COc1ccc(C(=O)N2CCS[C@@H]2c2ccccc2C(F)(F)F)c(OC)c1 ZINC000000691071 212175117 /nfs/dbraw/zinc/17/51/17/212175117.db2.gz PVEDHXRFXVZBNX-GOSISDBHSA-N 0 0 397.418 4.610 10 0 GJAERN Nc1ccccc1NC(=O)c1ccc(Cn2nc3ccccc3c2Cl)cc1 ZINC000034891589 212161058 /nfs/dbraw/zinc/16/10/58/212161058.db2.gz ULOIIAVBUHFXDJ-UHFFFAOYSA-N 0 0 376.847 4.573 10 0 GJAERN CC(C)CN1C(=O)CS[C@H]1c1cnccc1-c1ccc(Br)cc1 ZINC000028819524 212159059 /nfs/dbraw/zinc/15/90/59/212159059.db2.gz RVHDQCOFRZYBFK-SFHVURJKSA-N 0 0 391.334 4.741 10 0 GJAERN O=C(c1cc(-c2ccccc2)cc(-c2ccccc2)n1)n1cc(Cl)ccc1=O ZINC000005490878 206293606 /nfs/dbraw/zinc/29/36/06/206293606.db2.gz WRUGEJQPMFVJEJ-UHFFFAOYSA-N 0 0 386.838 4.919 10 0 GJAERN Cc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccccc2n1 ZINC000003788826 206293875 /nfs/dbraw/zinc/29/38/75/206293875.db2.gz QDJMXUYLLXTIHJ-UHFFFAOYSA-N 0 0 393.450 4.969 10 0 GJAERN Nc1ccccc1NC(=O)c1ccc(Cn2cc3c(cccc3Cl)n2)cc1 ZINC000034891788 206304542 /nfs/dbraw/zinc/30/45/42/206304542.db2.gz QKVYXXFAPYQMAW-UHFFFAOYSA-N 0 0 376.847 4.573 10 0 GJAERN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)CC ZINC000001906292 206394174 /nfs/dbraw/zinc/39/41/74/206394174.db2.gz ZVDFGVOUISEWIF-UHFFFAOYSA-N 0 0 382.279 4.703 10 0 GJAERN CCCOc1ccccc1/C=C/C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000001909913 206394947 /nfs/dbraw/zinc/39/49/47/206394947.db2.gz ZDSCIBCWAAXRBN-OUKQBFOZSA-N 0 0 399.512 4.854 10 0 GJAERN CCOc1ccc([C@H]2C[C@@H](c3ccc(C(C)C)cc3)n3nc(N)nc3N2)cc1 ZINC000002472400 206418732 /nfs/dbraw/zinc/41/87/32/206418732.db2.gz KDGZHLXYAWIMHA-UXHICEINSA-N 0 0 377.492 4.529 10 0 GJAERN COc1cccc(-c2cn3c4ccc(C(=O)NC5CCCC5)cc4sc3n2)c1 ZINC000006748727 206670202 /nfs/dbraw/zinc/67/02/02/206670202.db2.gz CTIFAKHMARDCCD-UHFFFAOYSA-N 0 0 391.496 4.897 10 0 GJAERN CCN(C(=O)Cn1c(Cc2cccs2)nc2ccccc21)c1ccccc1 ZINC000008787011 206765697 /nfs/dbraw/zinc/76/56/97/206765697.db2.gz VZRDWNZIPPSFGX-UHFFFAOYSA-N 0 0 375.497 4.742 10 0 GJAERN Cc1noc(C)c1CCC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1CC(C)C ZINC000015079382 207046019 /nfs/dbraw/zinc/04/60/19/207046019.db2.gz NVKPZVXFPXLYGE-OAQYLSRUSA-N 0 0 379.504 4.877 10 0 GJAERN COc1cc(Cl)c(C)cc1Nc1c2[nH]cccc-2c(=O)n1Cc1cccs1 ZINC000020319491 207188857 /nfs/dbraw/zinc/18/88/57/207188857.db2.gz SMWBPSGIMHEOEY-LJQANCHMSA-N 0 0 399.903 4.880 10 0 GJAERN COc1ccccc1[C@@H]1CN(Cc2nc3ccccc3n2C)Cc2ccccc2O1 ZINC000020909158 207219975 /nfs/dbraw/zinc/21/99/75/207219975.db2.gz FAHIKEAHZHBQRF-DEOSSOPVSA-N 0 0 399.494 4.718 10 0 GJAERN C[C@@H](Nc1ccc(Sc2nc[nH]n2)cc1)c1ccc(Br)s1 ZINC000038003006 207249354 /nfs/dbraw/zinc/24/93/54/207249354.db2.gz RRUAAQIIDCCKRY-SECBINFHSA-N 0 0 381.324 4.953 10 0 GJAERN CCn1c(CNc2ccc(I)cc2C)nc2ccccc21 ZINC000038046823 207262762 /nfs/dbraw/zinc/26/27/62/207262762.db2.gz MTNVVCMDBIMMEY-UHFFFAOYSA-N 0 0 391.256 4.581 10 0 GJAERN O=C(CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1)NC(C1CC1)C1CC1 ZINC000023159186 207271323 /nfs/dbraw/zinc/27/13/23/207271323.db2.gz YVKGLIKFPGHECK-UHFFFAOYSA-N 0 0 387.483 4.641 10 0 GJAERN CCOP(=O)(OCC)[C@@H](O)/C=C(/Cl)c1ccc(Br)cc1 ZINC000033373982 207458027 /nfs/dbraw/zinc/45/80/27/207458027.db2.gz NDYNANDUTQNCTO-CNELAYHGSA-N 0 0 383.606 4.613 10 0 GJAERN CCc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)c1ccc(OC)c(OC)c1 ZINC000034794308 207475480 /nfs/dbraw/zinc/47/54/80/207475480.db2.gz XDJIIUZEZUOXRE-UHFFFAOYSA-N 0 0 385.851 4.562 10 0 GJAERN COc1cccc(C(=O)Nc2c(C)[nH]nc2-c2cccc(C(F)(F)F)c2)c1 ZINC000034796222 207475598 /nfs/dbraw/zinc/47/55/98/207475598.db2.gz VMHJTBLSGDTKLM-UHFFFAOYSA-N 0 0 375.350 4.665 10 0 GJAERN O=C(NCc1ccccn1)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000034915649 207479601 /nfs/dbraw/zinc/47/96/01/207479601.db2.gz SYBMNZRKBHJVJI-UHFFFAOYSA-N 0 0 388.858 4.722 10 0 GJAERN CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2cccc(CO)c2)n1 ZINC000087493608 208102368 /nfs/dbraw/zinc/10/23/68/208102368.db2.gz LHICHGFYWATXMQ-UHFFFAOYSA-N 0 0 398.894 4.960 10 0 GJAERN O=S(Cc1ccccc1Br)Cc1ccccc1Br ZINC000095931688 208239084 /nfs/dbraw/zinc/23/90/84/208239084.db2.gz LDZODRAFKPFUCG-UHFFFAOYSA-N 0 0 388.124 4.661 10 0 GJAERN COc1ccc(/C=C/c2nc3c(OC)cccc3c(=O)n2-c2ccccc2)cc1 ZINC000095932552 208239326 /nfs/dbraw/zinc/23/93/26/208239326.db2.gz ISKNPCQPDUFVIF-DTQAZKPQSA-N 0 0 384.435 4.573 10 0 GJAERN FC(F)(Br)C(F)(F)CCOc1cccc(Br)c1 ZINC000098210659 208370111 /nfs/dbraw/zinc/37/01/11/208370111.db2.gz AUMNQMODGCKRKD-UHFFFAOYSA-N 0 0 379.973 4.841 10 0 GJAERN CCOc1ccc(/C=C/C(=O)Oc2ccc(C)cc2Br)cc1OC ZINC000005654109 220890298 /nfs/dbraw/zinc/89/02/98/220890298.db2.gz KBJJGRRICDQFSA-JXMROGBWSA-N 0 0 391.261 4.784 10 0 GJAERN C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1Br ZINC000007651572 221004537 /nfs/dbraw/zinc/00/45/37/221004537.db2.gz UAUSODWJSJNKDK-LLVKDONJSA-N 0 0 386.211 4.888 10 0 GJAERN O=C(CCC1CCCCC1)NC[C@H]1Cc2cc(-c3cnccn3)cc(Cl)c2O1 ZINC000011784307 221124776 /nfs/dbraw/zinc/12/47/76/221124776.db2.gz JYWGJLYRAUJPDB-GOSISDBHSA-N 0 0 399.922 4.577 10 0 GJAERN O=C(c1n[nH]c2c1CCC2)N1CCc2c3ccccc3[nH]c2[C@@H]1C1CCCCC1 ZINC000012303456 221176964 /nfs/dbraw/zinc/17/69/64/221176964.db2.gz ITRIPRBACGZJNN-QHCPKHFHSA-N 0 0 388.515 4.700 10 0 GJAERN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1[nH]cnc1C ZINC000012305600 221177688 /nfs/dbraw/zinc/17/76/88/221177688.db2.gz SVKGIIZEKUBOCB-XMMPIXPASA-N 0 0 386.499 4.746 10 0 GJAERN Cc1c(Cc2ccccc2)sc(NC(=O)/C=C\c2ccc(F)cc2)c1C(N)=O ZINC000033311223 221786316 /nfs/dbraw/zinc/78/63/16/221786316.db2.gz FXRNWXRNVITRMY-XFXZXTDPSA-N 0 0 394.471 4.537 10 0 GJAERN CCC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCCCCC4)cc3)ccc21 ZINC000065026828 222094606 /nfs/dbraw/zinc/09/46/06/222094606.db2.gz ISSKFBIOQAVZMY-UHFFFAOYSA-N 0 0 376.500 4.669 10 0 GJAERN COCCNc1c(-c2cccc(OC)c2)nc2sc3cc(Cl)ccc3n21 ZINC000064668466 222077760 /nfs/dbraw/zinc/07/77/60/222077760.db2.gz QCJLAXNKBUJQNV-UHFFFAOYSA-N 0 0 387.892 4.936 10 0 GJAERN O=C1CSC(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)=N1 ZINC000072414866 222257685 /nfs/dbraw/zinc/25/76/85/222257685.db2.gz SUNYHTNCCXSBQC-INIZCTEOSA-N 0 0 390.295 4.774 10 0 GJAERN CCOC(=O)C1=CNCC(C)(C)c2c3ccc(-c4cccc(OC)c4)cc3[nH]c21 ZINC000095938035 222360388 /nfs/dbraw/zinc/36/03/88/222360388.db2.gz BUQCNBATADNWOM-UHFFFAOYSA-N 0 0 390.483 4.628 10 0 GJAERN Nc1nc(N)c2cc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2n1 ZINC000143994341 222529100 /nfs/dbraw/zinc/52/91/00/222529100.db2.gz MICBUQYPQZXNKW-UHFFFAOYSA-N 0 0 388.271 4.624 10 0 GJAERN COc1cccc(-c2cc(=O)[nH]c(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)c1 ZINC000057341645 525699257 /nfs/dbraw/zinc/69/92/57/525699257.db2.gz RVFUGKCOTRJRDV-UHFFFAOYSA-N 0 0 395.768 4.861 10 0 GJAERN COc1ccc(-c2csc3ncnc(N4CCO[C@@H]5CCCC[C@@H]54)c23)cc1 ZINC000079017469 536501461 /nfs/dbraw/zinc/50/14/61/536501461.db2.gz BNCBDHOZSCUXRX-ZWKOTPCHSA-N 0 0 381.501 4.515 10 0 GJAERN CC(C)N(c1nc(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2s1)C(C)C ZINC000034928322 570345880 /nfs/dbraw/zinc/34/58/80/570345880.db2.gz PZVWSVSGUWNKBG-UHFFFAOYSA-N 0 0 399.491 4.671 10 0 GJAERN COc1ccc(OC)c(NC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)c1 ZINC000006744971 570564336 /nfs/dbraw/zinc/56/43/36/570564336.db2.gz ATDLXGCUXZPJAJ-UHFFFAOYSA-N 0 0 382.803 4.904 10 0 GJAERN COc1ccc(NC(=O)/C(Cl)=C(\Cl)SCc2ccc(C)cc2)cn1 ZINC000033336301 212159627 /nfs/dbraw/zinc/15/96/27/212159627.db2.gz LWUWBWXVYLIXGQ-NXVVXOECSA-N 0 0 383.300 4.917 10 0 GJAERN COc1ccccc1CON1C(=O)CS[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000038149955 212160926 /nfs/dbraw/zinc/16/09/26/212160926.db2.gz GRDSVEHEPRVHLQ-KRWDZBQOSA-N 0 0 384.284 4.708 10 0 GJAERN CCCn1nc2cc(C(=O)NCCCCc3ccccc3)ccc2c1OCC ZINC000008762983 212147843 /nfs/dbraw/zinc/14/78/43/212147843.db2.gz INKSLJKETIBZQE-UHFFFAOYSA-N 0 0 379.504 4.598 10 0 GJAERN CCc1c(=O)[nH]c(=S)n(COCc2ccccc2)c1Sc1ccccc1 ZINC000000586596 212142768 /nfs/dbraw/zinc/14/27/68/212142768.db2.gz ALOGFDZIJYDRJL-UHFFFAOYSA-N 0 0 384.526 4.794 10 0 GJAERN CSCC[C@@H](NC(=O)[C@H](CC(C)C)n1cccc1)c1nc2ccccc2[nH]1 ZINC000334160866 212108231 /nfs/dbraw/zinc/10/82/31/212108231.db2.gz NWMAPYDQJZGYLO-MOPGFXCFSA-N 0 0 384.549 4.562 10 0 GJAERN COc1ccc(OC)c(/C=C2\N=C(c3sc4ccccc4c3Cl)OC2=O)c1 ZINC000001072784 206349947 /nfs/dbraw/zinc/34/99/47/206349947.db2.gz GMLCHZPWVPBXBE-UVTDQMKNSA-N 0 0 399.855 4.916 10 0 GJAERN CCOC(=O)c1cc(CC)sc1NC(=O)CCCOc1ccc(CC)cc1 ZINC000001906439 206394566 /nfs/dbraw/zinc/39/45/66/206394566.db2.gz JKXLXJALPUYDSE-UHFFFAOYSA-N 0 0 389.517 4.847 10 0 GJAERN CCCOc1ccc(/C=C/C(=O)Nc2sc(CC)cc2C(=O)OCC)cc1 ZINC000001945927 206394662 /nfs/dbraw/zinc/39/46/62/206394662.db2.gz HLGFYNPAGAKROW-FMIVXFBMSA-N 0 0 387.501 4.928 10 0 GJAERN CCCCOc1ccc(OCCCC)c2c1nc(-c1ccccc1N)c(=O)n2C ZINC000002023946 206395450 /nfs/dbraw/zinc/39/54/50/206395450.db2.gz ZKNUOJZFFWSLOM-UHFFFAOYSA-N 0 0 395.503 4.541 10 0 GJAERN Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2cnc3ccccc3n2)cc1 ZINC000007363800 206711032 /nfs/dbraw/zinc/71/10/32/206711032.db2.gz WBJDWMDMYCMVCH-HSZRJFAPSA-N 0 0 380.451 4.705 10 0 GJAERN COc1cccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccc(C)o2)C3)c1 ZINC000014956011 207033641 /nfs/dbraw/zinc/03/36/41/207033641.db2.gz UXSINGWUAGSLJC-UHFFFAOYSA-N 0 0 379.456 4.667 10 0 GJAERN COc1ccccc1[C@@H](CC(=O)Nc1ccc(-c2ccno2)cc1)n1cccc1 ZINC000015771296 207060027 /nfs/dbraw/zinc/06/00/27/207060027.db2.gz WSDVAEJCTCBVDY-HXUWFJFHSA-N 0 0 387.439 4.770 10 0 GJAERN CC(=O)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000020310558 207186443 /nfs/dbraw/zinc/18/64/43/207186443.db2.gz FANXWNWVUQSJSF-YVLHZVERSA-N 0 0 387.844 4.502 10 0 GJAERN O=C(Nc1ccccc1C(F)(F)F)c1ccc(-n2cnc3cccnc32)cc1 ZINC000020559698 207202983 /nfs/dbraw/zinc/20/29/83/207202983.db2.gz LGSWGDBGDULMLE-UHFFFAOYSA-N 0 0 382.345 4.692 10 0 GJAERN CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=S)Nc1cccc(F)c1 ZINC000020608687 207207239 /nfs/dbraw/zinc/20/72/39/207207239.db2.gz UTXBWIDKTADWKP-UHFFFAOYSA-N 0 0 390.871 4.748 10 0 GJAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(Br)ccc1Cl ZINC000037980041 207243675 /nfs/dbraw/zinc/24/36/75/207243675.db2.gz XYFVZQMGKONYEA-SCZZXKLOSA-N 0 0 384.623 4.953 10 0 GJAERN CC[C@H](C)N(CCc1nc(-c2cccc(Cl)c2)no1)C(=O)CC(C)(C)C ZINC000096293179 208304217 /nfs/dbraw/zinc/30/42/17/208304217.db2.gz CMAPITGHJJMNFI-AWEZNQCLSA-N 0 0 377.916 4.996 10 0 GJAERN CCCCN(C)C(=O)CSc1nc2ccccc2c(NCc2ccccc2)n1 ZINC000002932997 220585347 /nfs/dbraw/zinc/58/53/47/220585347.db2.gz SMEQVYAKIXHKQF-UHFFFAOYSA-N 0 0 394.544 4.593 10 0 GJAERN Cc1nn(C2C=CC=C2)c(Cl)c1/C=C1\SC(=O)N(Cc2ccccc2)C1=O ZINC000005536101 220879445 /nfs/dbraw/zinc/87/94/45/220879445.db2.gz AOAKXDVCRJTJLC-BOPFTXTBSA-N 0 0 397.887 4.749 10 0 GJAERN COC(=O)c1cc(Cl)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000006180566 220923128 /nfs/dbraw/zinc/92/31/28/220923128.db2.gz BSBMPZAELLXUPE-UHFFFAOYSA-N 0 0 388.634 4.694 10 0 GJAERN CCOC(=O)c1ccc(NCc2ccc(C(=O)OCC[Si](C)(C)C)cc2)cc1 ZINC000252481645 209031979 /nfs/dbraw/zinc/03/19/79/209031979.db2.gz CPWPTZZNYNFEMQ-UHFFFAOYSA-N 0 0 399.563 4.970 10 0 GJAERN CCOc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)C(C)(C)C)c1 ZINC000006740280 220955907 /nfs/dbraw/zinc/95/59/07/220955907.db2.gz SUONDSXHGDZORU-HXUWFJFHSA-N 0 0 398.528 4.849 10 0 GJAERN CCC(CC)C(=O)N(Cc1cc2cccc(C)c2nc1N(C)C)C[C@@H]1CCCO1 ZINC000011814719 221126875 /nfs/dbraw/zinc/12/68/75/221126875.db2.gz HAOMHCDFKIHPJR-NRFANRHFSA-N 0 0 397.563 4.553 10 0 GJAERN CC[C@H](NC(=O)c1cc(COc2cc(C)c(Cl)c(C)c2)on1)c1ccncc1 ZINC000011665189 221120677 /nfs/dbraw/zinc/12/06/77/221120677.db2.gz LINYMUYRMXQSOQ-SFHVURJKSA-N 0 0 399.878 4.800 10 0 GJAERN Cc1nnsc1C(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1C1CCCCC1 ZINC000011712918 221123401 /nfs/dbraw/zinc/12/34/01/221123401.db2.gz SPXSUTATTQIPDO-IBGZPJMESA-N 0 0 380.517 4.648 10 0 GJAERN COc1cc(OC)c(C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000014388929 221309632 /nfs/dbraw/zinc/30/96/32/221309632.db2.gz RULGLXPHIFPNDS-MRXNPFEDSA-N 0 0 391.467 4.870 10 0 GJAERN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2nccs2)c1 ZINC000015073125 221331002 /nfs/dbraw/zinc/33/10/02/221331002.db2.gz MGZXSHCZNURROJ-JOCHJYFZSA-N 0 0 375.497 4.781 10 0 GJAERN c1ccc(Nc2nc(N3CCN(c4ccccc4)CC3)nc3ccccc32)cc1 ZINC000072260387 136167762 /nfs/dbraw/zinc/16/77/62/136167762.db2.gz PVXBZPCWEIIXFX-UHFFFAOYSA-N 0 0 381.483 4.700 10 0 GJAERN CCn1c(CNc2ccc(C)c(I)c2)nc2ccccc21 ZINC000038046821 221877280 /nfs/dbraw/zinc/87/72/80/221877280.db2.gz SSAGXJSSXBGGMY-UHFFFAOYSA-N 0 0 391.256 4.581 10 0 GJAERN Cc1ccc(C)c(NC(=O)c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)c1 ZINC000038805376 221884927 /nfs/dbraw/zinc/88/49/27/221884927.db2.gz KKTOHZXEPQWVHU-UHFFFAOYSA-N 0 0 376.382 4.741 10 0 GJAERN O=C(N1CCC[C@@H](c2ccnc(Nc3ccccc3)n2)C1)C1(c2ccccc2)CC1 ZINC000065147890 222103757 /nfs/dbraw/zinc/10/37/57/222103757.db2.gz KYZKGYNKDCNYET-LJQANCHMSA-N 0 0 398.510 4.658 10 0 GJAERN Cc1c(C(=O)N(C)C)sc2nc(-c3ccccc3)c(NCc3ccccc3)n12 ZINC000064761320 222081846 /nfs/dbraw/zinc/08/18/46/222081846.db2.gz PPUWTBIEZFVYKU-UHFFFAOYSA-N 0 0 390.512 4.685 10 0 GJAERN CC(C)CC[C@@H](C)NC(=O)c1cc(Br)c(Br)s1 ZINC000095081828 222329085 /nfs/dbraw/zinc/32/90/85/222329085.db2.gz HFPFMCLKQYBHBK-MRVPVSSYSA-N 0 0 383.149 4.828 10 0 GJAERN CC(C)(C)OC(=O)N1CCC2(CC1)CCNc1cc(C(F)(F)F)ccc1O2 ZINC000096028996 222373382 /nfs/dbraw/zinc/37/33/82/222373382.db2.gz DODXLOFNCSDKSH-UHFFFAOYSA-N 0 0 386.414 4.670 10 0 GJAERN CSc1ccc([C@H]2NCc3c(C)nn(-c4ccccc4)c3-n3cccc32)cc1 ZINC000096077915 222376589 /nfs/dbraw/zinc/37/65/89/222376589.db2.gz CLODNDGDKFCUHB-JOCHJYFZSA-N 0 0 386.524 4.886 10 0 GJAERN CC(C)c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cnn(C(C)C)c2n1 ZINC000104851872 222503943 /nfs/dbraw/zinc/50/39/43/222503943.db2.gz PCTZSYGTOXXFQR-UHFFFAOYSA-N 0 0 380.536 4.834 10 0 GJAERN O=C(Nc1nc2cc(Cl)ccc2o1)c1cnc2[nH]cc(-c3ccoc3)c2c1 ZINC000136500400 222527379 /nfs/dbraw/zinc/52/73/79/222527379.db2.gz QZGKIOMBVMRBBD-UHFFFAOYSA-N 0 0 378.775 4.870 10 0 GJAERN CCCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)Oc2ccccc2)C[C@H]1C ZINC000073655059 521431775 /nfs/dbraw/zinc/43/17/75/521431775.db2.gz FKAZEOHFKPHSKO-AEFFLSMTSA-N 0 0 376.497 4.543 10 0 GJAERN O=C1CCN(c2cc(-c3ccccc3)nc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000073679032 526988074 /nfs/dbraw/zinc/98/80/74/526988074.db2.gz DNLACDLANDGGRY-UHFFFAOYSA-N 0 0 397.400 4.999 10 0 GJAERN COc1c(C)cc(-c2ccc3nc(C(=O)NCc4ccccc4)cn3c2)cc1C ZINC000034831164 570335462 /nfs/dbraw/zinc/33/54/62/570335462.db2.gz VEGQZIXBFFYKNE-UHFFFAOYSA-N 0 0 385.467 4.557 10 0 GJAERN COc1ccc(C2=NN(C(N)=S)[C@@H](c3ccc(Cl)cc3Cl)C2)cc1F ZINC000005527232 570444324 /nfs/dbraw/zinc/44/43/24/570444324.db2.gz WYQBQXGFACUSSQ-OAHLLOKOSA-N 0 0 398.290 4.536 10 0 GJAERN COc1ccc(NC(=O)c2ccccc2NC(=S)Nc2ccccc2)cc1 ZINC000005738521 570454117 /nfs/dbraw/zinc/45/41/17/570454117.db2.gz WNNHQQHFDCDJPT-UHFFFAOYSA-N 0 0 377.469 4.756 10 0 GJAERN O=C(NCc1cnc(-c2ccccc2)s1)c1ccc2nc(C3CC3)oc2c1 ZINC000011840484 570586737 /nfs/dbraw/zinc/58/67/37/570586737.db2.gz CNUMGXQLNJMUJK-UHFFFAOYSA-N 0 0 375.453 4.759 10 0 GJAERN COc1ccc([C@H]2c3cccn3CCCN2Cc2ccc(Cl)cc2)cc1O ZINC000036348733 570630819 /nfs/dbraw/zinc/63/08/19/570630819.db2.gz SWOKKWHCMGEKMF-QFIPXVFZSA-N 0 0 382.891 4.851 10 0 GJAERN CCc1ccc(NC(=O)c2cnc3c(-c4ccc(F)cc4)c(C)nn3c2C)cc1 ZINC000021914111 570766386 /nfs/dbraw/zinc/76/63/86/570766386.db2.gz LRJKSNLNKMIGJI-UHFFFAOYSA-N 0 0 388.446 4.967 10 0 GJAERN O=C(Nc1ccccc1)N1CC[C@@H](n2c(C3CCCC3)nc3cccnc32)C1 ZINC000065271534 570777178 /nfs/dbraw/zinc/77/71/78/570777178.db2.gz GVYSTFSGNHQPSN-GOSISDBHSA-N 0 0 375.476 4.568 10 0 GJAERN COc1ccccc1CNCc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000013720336 570780105 /nfs/dbraw/zinc/78/01/05/570780105.db2.gz YGPAPMBGYZDITH-UHFFFAOYSA-N 0 0 381.447 4.712 10 0 GJAERN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1OCc1ccccc1Br ZINC000261506955 570789956 /nfs/dbraw/zinc/78/99/56/570789956.db2.gz CWEFIPUMTQHCKT-HZPDHXFCSA-N 0 0 384.314 4.802 10 0 GJAERN O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccco1 ZINC000215337942 570911403 /nfs/dbraw/zinc/91/14/03/570911403.db2.gz LWBFIOPAFDTCND-UHFFFAOYSA-N 0 0 385.345 4.949 10 0 GJAERN Cc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cncs3)c2)c1 ZINC000040872349 581091287 /nfs/dbraw/zinc/09/12/87/581091287.db2.gz ZLFBFXIWLVCQQD-UHFFFAOYSA-N 0 0 385.876 4.918 10 0 GJAERN COc1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000001972658 212259748 /nfs/dbraw/zinc/25/97/48/212259748.db2.gz HCZDYKPALFBPCQ-OQLLNIDSSA-N 0 0 389.451 4.935 10 0 GJAERN CCOC(=O)c1c(-c2ccccc2)nc(-c2ccccc2)nc1N(CC)CC ZINC000090464069 212151490 /nfs/dbraw/zinc/15/14/90/212151490.db2.gz JXHJNQLDGFLQOA-UHFFFAOYSA-N 0 0 375.472 4.834 10 0 GJAERN O=C(Nc1ccccc1-c1ccnc(Br)c1)c1cccnc1Cl ZINC000090627361 212150608 /nfs/dbraw/zinc/15/06/08/212150608.db2.gz CNTOOYSUDLZGBK-UHFFFAOYSA-N 0 0 388.652 4.812 10 0 GJAERN COc1ccc(C(=O)N2CCS[C@H]2c2ccccc2C(F)(F)F)c(OC)c1 ZINC000000691069 206316876 /nfs/dbraw/zinc/31/68/76/206316876.db2.gz PVEDHXRFXVZBNX-SFHVURJKSA-N 0 0 397.418 4.610 10 0 GJAERN CCc1nnc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)s1 ZINC000000801930 206322992 /nfs/dbraw/zinc/32/29/92/206322992.db2.gz DVDBDEORVRHSAE-UHFFFAOYSA-N 0 0 396.950 4.608 10 0 GJAERN O=C(CNc1ccc(OCc2ccccc2)cc1)Nc1ccc2cnccc2c1 ZINC000035088464 206304974 /nfs/dbraw/zinc/30/49/74/206304974.db2.gz MLPKGYCAIGWFBL-UHFFFAOYSA-N 0 0 383.451 4.864 10 0 GJAERN COc1ccc2nc(Cl)c(CN(Cc3ccco3)C(=O)C(F)(F)F)cc2c1 ZINC000001367838 206375481 /nfs/dbraw/zinc/37/54/81/206375481.db2.gz FQBBWOIRPYJNAA-UHFFFAOYSA-N 0 0 398.768 4.581 10 0 GJAERN CCOc1ccc(-c2c(C)sc(NC(=O)CC(C)C)c2C(=O)OC)cc1 ZINC000001927321 206394126 /nfs/dbraw/zinc/39/41/26/206394126.db2.gz RJBYBJDBDZDAFA-UHFFFAOYSA-N 0 0 375.490 4.893 10 0 GJAERN CCOC(=O)c1cc(CC)sc1NC(=O)CCCOc1cc(C)ccc1C ZINC000001906473 206394324 /nfs/dbraw/zinc/39/43/24/206394324.db2.gz LCLQHQHAMZPULP-UHFFFAOYSA-N 0 0 389.517 4.902 10 0 GJAERN COc1cc(/C=C/C(=O)Nc2ccc(C)cc2C)cc(Br)c1OC ZINC000001983632 206396388 /nfs/dbraw/zinc/39/63/88/206396388.db2.gz VCNGSENPJMBKTA-SOFGYWHQSA-N 0 0 390.277 4.735 10 0 GJAERN Cc1cc(NC(=O)CSc2nc3ccccc3cc2CC2CCCC2)no1 ZINC000004857803 206562620 /nfs/dbraw/zinc/56/26/20/206562620.db2.gz CFTJZEXMIXUWFT-UHFFFAOYSA-N 0 0 381.501 4.995 10 0 GJAERN COc1cc(Cl)c(C)cc1Nc1c2[nH]cccc-2c(=O)n1Cc1cccs1 ZINC000020319495 207189070 /nfs/dbraw/zinc/18/90/70/207189070.db2.gz SMWBPSGIMHEOEY-IBGZPJMESA-N 0 0 399.903 4.880 10 0 GJAERN S=C(Nc1cc(Cl)ccc1Cl)N(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000020479289 207196863 /nfs/dbraw/zinc/19/68/63/207196863.db2.gz YYAGRJHTYZPTEG-HNNXBMFYSA-N 0 0 396.343 4.766 10 0 GJAERN CCN(Cc1ccc(Br)s1)C(=O)c1nc(Cl)ccc1Cl ZINC000037976499 207238170 /nfs/dbraw/zinc/23/81/70/207238170.db2.gz JVQZNUIJNLEGFM-UHFFFAOYSA-N 0 0 394.121 4.875 10 0 GJAERN O=C(Nc1ccccc1)c1csc(COc2cccc(C(F)(F)F)c2)n1 ZINC000036084562 207510726 /nfs/dbraw/zinc/51/07/26/207510726.db2.gz YTASLORHFXSGRH-UHFFFAOYSA-N 0 0 378.375 4.993 10 0 GJAERN CCOC(=O)COc1ccc(Nc2nc3c(s2)c(C)c(O)c(C)c3C)cc1 ZINC000039127720 207564203 /nfs/dbraw/zinc/56/42/03/207564203.db2.gz WFLBJNDQPNFAJG-UHFFFAOYSA-N 0 0 386.473 4.613 10 0 GJAERN CC(=O)OC1=CC[C@H]2[C@@H]3CC[C@H]4Cc5c(cnn5C(C)=O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000077269784 208036432 /nfs/dbraw/zinc/03/64/32/208036432.db2.gz MWJCWSQFPJEULF-IGJOJHROSA-N 0 0 396.531 4.558 10 0 in-vitro GJAERN CC(C)(C)OC(=O)N1CCC[C@@H](Sc2nc3ccccc3nc2Cl)C1 ZINC000085332683 208100405 /nfs/dbraw/zinc/10/04/05/208100405.db2.gz AZVCXSLMEYUHCT-GFCCVEGCSA-N 0 0 379.913 4.775 10 0 GJAERN CCOC(=O)C1=CNCC(C)(C)c2c3cc(NCc4ccccc4)ccc3[nH]c21 ZINC000095938034 208240255 /nfs/dbraw/zinc/24/02/55/208240255.db2.gz SVKZYLNVMLKNOE-UHFFFAOYSA-N 0 0 389.499 4.565 10 0 GJAERN Cc1sc2nc(Cc3ccccc3)n(Cc3cccc(F)c3)c(=O)c2c1C ZINC000002910647 220583157 /nfs/dbraw/zinc/58/31/57/220583157.db2.gz VVFFTSCHHBSAEV-UHFFFAOYSA-N 0 0 378.472 4.853 10 0 GJAERN COc1ccc(NC(=S)N(Cc2cccs2)C[C@H]2CCCO2)c(Cl)c1 ZINC000006289441 220926961 /nfs/dbraw/zinc/92/69/61/220926961.db2.gz WQZINVZXHJVBAU-CQSZACIVSA-N 0 0 396.965 4.788 10 0 GJAERN COc1ccc(NC(=O)c2nn(C)c3c2CSc2ccccc2-3)cc1Cl ZINC000006817566 220967364 /nfs/dbraw/zinc/96/73/64/220967364.db2.gz OKKFPQGQYBWTBH-UHFFFAOYSA-N 0 0 385.876 4.607 10 0 GJAERN CCOc1ccccc1C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000007345168 220994061 /nfs/dbraw/zinc/99/40/61/220994061.db2.gz YSWGFYKJRCSHEJ-UHFFFAOYSA-N 0 0 383.517 4.657 10 0 GJAERN CCN(C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccc(C)c1 ZINC000011096348 221110877 /nfs/dbraw/zinc/11/08/77/221110877.db2.gz JSPFXRYRBQGPFP-UHFFFAOYSA-N 0 0 384.907 4.554 10 0 GJAERN CS(=O)(=O)c1ccc(-c2ccc3ccn(Cc4ccc(Cl)cc4)c3n2)cc1 ZINC000013979846 221294746 /nfs/dbraw/zinc/29/47/46/221294746.db2.gz CNGQBLICVIFDGE-UHFFFAOYSA-N 0 0 396.899 4.809 10 0 GJAERN CCC(CC)C(=O)N1CCOc2c(cc(-c3ccccc3OC)cc2OC)C1 ZINC000014879126 221317494 /nfs/dbraw/zinc/31/74/94/221317494.db2.gz ZWNBJVPRYSZVQI-UHFFFAOYSA-N 0 0 383.488 4.528 10 0 GJAERN COc1ccc(CNc2nc(N3CCc4ccccc4C3)nc3ccccc32)cc1 ZINC000072260755 136167834 /nfs/dbraw/zinc/16/78/34/136167834.db2.gz MRHJINJKAOJYOW-UHFFFAOYSA-N 0 0 396.494 4.813 10 0 GJAERN CCOC(=O)c1c(-c2ccccc2)noc1-c1conc1-c1ccccc1F ZINC000261361171 209080983 /nfs/dbraw/zinc/08/09/83/209080983.db2.gz SGJHKWPTOSHWTR-UHFFFAOYSA-N 0 0 378.359 4.979 10 0 GJAERN CCCNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(CC)cc3)C2)c1 ZINC000033035560 221767313 /nfs/dbraw/zinc/76/73/13/221767313.db2.gz XXBVWWJHESEZOI-OAQYLSRUSA-N 0 0 393.531 4.800 10 0 GJAERN Cc1cccc(C(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)c1 ZINC000064526662 222072528 /nfs/dbraw/zinc/07/25/28/222072528.db2.gz PEIXVYZUFOVVJJ-UHFFFAOYSA-N 0 0 376.500 4.728 10 0 GJAERN Cc1c(F)cccc1Nc1nc(Cl)c2c(n1)CCN(Cc1ccccc1)C2 ZINC000057343728 525812868 /nfs/dbraw/zinc/81/28/68/525812868.db2.gz XPFRIAYLFGUGSM-UHFFFAOYSA-N 0 0 382.870 4.879 10 0 GJAERN O[C@@H]1C(Cl)=CC=C([C@H](c2ccc(Cl)cc2)C(Cl)(Cl)Cl)[C@@H]1O ZINC000004097216 560194519 /nfs/dbraw/zinc/19/45/19/560194519.db2.gz GSABQSGIWIDCHM-RWMBFGLXSA-N 0 0 388.505 4.578 10 0 in-vitro GJAERN Cc1cc(OCC(=O)NCCC2=CCCCC2)c(C)c(C)c1Br ZINC000020344518 570252678 /nfs/dbraw/zinc/25/26/78/570252678.db2.gz KQHCBELSDJUZQS-UHFFFAOYSA-N 0 0 380.326 4.760 10 0 GJAERN CCOC(=O)[C@@]1(Cc2ccccc2)Cc2ccccc2N(Cc2ccccc2)C1=O ZINC000026423144 570425647 /nfs/dbraw/zinc/42/56/47/570425647.db2.gz JGMGSWGNRKEENW-SANMLTNESA-N 0 0 399.490 4.568 10 0 GJAERN CC[C@H]1[C@H]2C[C@@H](O)CC[C@@]2(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@@H](C)CCO)[C@H]2[C@H]1O ZINC000669678960 570493869 /nfs/dbraw/zinc/49/38/69/570493869.db2.gz HYCMOIGNYNCMRH-HPQSWGCZSA-N 0 0 392.624 4.632 10 0 GJAERN CC(C)N(Cc1nccn1Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccco1 ZINC000006689510 570532559 /nfs/dbraw/zinc/53/25/59/570532559.db2.gz BOOVZZCOVBALJB-UHFFFAOYSA-N 0 0 391.393 4.594 10 0 GJAERN COc1cc(OC)cc([C@H]2c3cccn3CCCN2Cc2cccc(F)c2)c1 ZINC000036347433 570628658 /nfs/dbraw/zinc/62/86/58/570628658.db2.gz XTTNCYSBYLPODG-QHCPKHFHSA-N 0 0 380.463 4.640 10 0 GJAERN CC(/C=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)=C/c1ccccc1 ZINC000048572712 570660252 /nfs/dbraw/zinc/66/02/52/570660252.db2.gz FHPHOLVFVUNNLH-BJXKOUEMSA-N 0 0 377.271 4.966 10 0 GJAERN Brc1c2nc3ccccc3nc2oc1-c1ccc2c(c1)OCCO2 ZINC000409442035 570776990 /nfs/dbraw/zinc/77/69/90/570776990.db2.gz SKGAPSFGVPKBDT-UHFFFAOYSA-N 0 0 383.201 4.577 10 0 GJAERN Cc1sc2c(ncn(C3CCCCC3)c2=O)c1C(=O)Nc1ccc(F)cc1C ZINC000065297771 570964978 /nfs/dbraw/zinc/96/49/78/570964978.db2.gz VHBLEIICMJPTJM-UHFFFAOYSA-N 0 0 399.491 4.971 10 0 GJAERN O=C(NC1CCCC1)[C@]1(/C=C\c2ccccc2)CC(=O)N1c1ccc(Cl)cc1 ZINC000208307591 570986683 /nfs/dbraw/zinc/98/66/83/570986683.db2.gz QIWUOSOCFHHRAL-SYKNXGGPSA-N 0 0 394.902 4.588 10 0 GJAERN CCOc1ccc(Br)cc1C=CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000001924814 212259782 /nfs/dbraw/zinc/25/97/82/212259782.db2.gz BNAMZJPQFUTZHC-IZZDOVSWSA-N 0 0 388.261 4.702 10 0 GJAERN COc1cccc(CON2C(=O)CS[C@@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000038149952 212161198 /nfs/dbraw/zinc/16/11/98/212161198.db2.gz GIKOSDLOFXCIDU-QGZVFWFLSA-N 0 0 384.284 4.708 10 0 GJAERN CC(=O)c1ccc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000000819756 206323682 /nfs/dbraw/zinc/32/36/82/206323682.db2.gz BPFCVNUALYNLQO-UHFFFAOYSA-N 0 0 388.901 4.884 10 0 GJAERN Fc1ccc(F)c([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccnc2)c1 ZINC000019788695 207161184 /nfs/dbraw/zinc/16/11/84/207161184.db2.gz BEJKZVKCVUAPQG-QHCPKHFHSA-N 0 0 375.422 4.989 10 0 GJAERN CCN(Cc1ccc(Br)s1)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000037976497 207237834 /nfs/dbraw/zinc/23/78/34/207237834.db2.gz WCMNGZQIEHXXID-UHFFFAOYSA-N 0 0 394.121 4.875 10 0 GJAERN CCc1[nH]nc(-c2ccc(OC)c(OC)c2)c1NC(=O)[C@H](CC)c1ccccc1 ZINC000034793784 207475457 /nfs/dbraw/zinc/47/54/57/207475457.db2.gz DMWLIMRBHDLPBG-QGZVFWFLSA-N 0 0 393.487 4.789 10 0 GJAERN Cc1ccc(CN2CCCN(c3cccc(NC(=O)C4CCCC4)c3)C2=O)cc1 ZINC000037542923 207546338 /nfs/dbraw/zinc/54/63/38/207546338.db2.gz KCUXMRCQASLUEA-UHFFFAOYSA-N 0 0 391.515 4.956 10 0 GJAERN Nc1c(Nc2ccc(Cl)c(C(F)(F)F)c2)ncnc1Oc1cccnc1 ZINC000040797450 207610340 /nfs/dbraw/zinc/61/03/40/207610340.db2.gz AJJJSPWFHINIKG-UHFFFAOYSA-N 0 0 381.745 4.662 10 0 GJAERN O=C(Nc1ccc(C2(C(=O)NCC3CCCCC3)CC2)cc1)c1ccccc1F ZINC000046141240 207673382 /nfs/dbraw/zinc/67/33/82/207673382.db2.gz OJALIGKHJRJCBX-UHFFFAOYSA-N 0 0 394.490 4.806 10 0 GJAERN CSc1nc(Cl)cc(SC[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000085333309 208100418 /nfs/dbraw/zinc/10/04/18/208100418.db2.gz UFBVDQJHEHOZDO-NSHDSACASA-N 0 0 389.974 4.734 10 0 GJAERN CC(C)(C)OC(=O)N1CCC[C@H](Cn2c3ccccc3nc2C(F)(F)F)C1 ZINC000095085234 208152781 /nfs/dbraw/zinc/15/27/81/208152781.db2.gz KYWMLQZMYBMCGV-ZDUSSCGKSA-N 0 0 383.414 4.702 10 0 GJAERN COc1cccc(-c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2Cl)c1 ZINC000095936970 208239101 /nfs/dbraw/zinc/23/91/01/208239101.db2.gz QQOKAONUFGIDLP-UHFFFAOYSA-N 0 0 398.871 4.602 10 0 GJAERN COC(=O)c1cc(O)c2ccc(OCc3ccccc3)c(Br)c2c1 ZINC000095937712 208240378 /nfs/dbraw/zinc/24/03/78/208240378.db2.gz NLSQXLVYGGIPRR-UHFFFAOYSA-N 0 0 387.229 4.674 10 0 GJAERN CCCCCOc1ccc(/C=C\C(=O)Nc2nnc(C(F)(F)F)s2)cc1 ZINC000096437795 208316450 /nfs/dbraw/zinc/31/64/50/208316450.db2.gz MUNAVHNEVWJIAT-YFHOEESVSA-N 0 0 385.411 4.778 10 0 GJAERN CC(=O)Nc1ccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)cc1 ZINC000004930852 220793850 /nfs/dbraw/zinc/79/38/50/220793850.db2.gz HFOPZYUVLXMJGA-UHFFFAOYSA-N 0 0 390.468 4.582 10 0 GJAERN COc1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2Br)cc1OC ZINC000097166771 209016635 /nfs/dbraw/zinc/01/66/35/209016635.db2.gz KCBULZSMRMANGS-JTQLQIEISA-N 0 0 398.684 4.611 10 0 GJAERN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(N)ncnc3n2)cc1OC ZINC000009694500 221090547 /nfs/dbraw/zinc/09/05/47/221090547.db2.gz CKNYLYSJWPCHHI-UHFFFAOYSA-N 0 0 392.846 4.612 10 0 GJAERN CCOC(=O)c1sc2ncnc(Nc3ccc(OCC(C)C)cc3)c2c1C ZINC000012084631 221148579 /nfs/dbraw/zinc/14/85/79/221148579.db2.gz DXPYNISEKSJLMN-UHFFFAOYSA-N 0 0 385.489 4.955 10 0 GJAERN CC(C)CCNC(=O)C1(c2ccc(NC(=O)c3ccccc3F)cc2)CCC1 ZINC000013350591 221266133 /nfs/dbraw/zinc/26/61/33/221266133.db2.gz GWSFBLCKBKKCDR-UHFFFAOYSA-N 0 0 382.479 4.662 10 0 GJAERN Cc1cn(CC2CCCCC2)c2nc(-c3ccc(S(C)(=O)=O)cc3)ccc12 ZINC000013979844 221294518 /nfs/dbraw/zinc/29/45/18/221294518.db2.gz SYRYLZKPDKLTGA-UHFFFAOYSA-N 0 0 382.529 4.996 10 0 GJAERN CCOC(=O)c1ccc(NC(=S)Nc2nc3c(cccc3Cl)s2)cc1 ZINC000017080049 221378334 /nfs/dbraw/zinc/37/83/34/221378334.db2.gz MQNLHNBFUSSIDM-UHFFFAOYSA-N 0 0 391.905 4.935 10 0 GJAERN Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@H](c4ccccc4)CC3)o2)s1 ZINC000023158644 221586833 /nfs/dbraw/zinc/58/68/33/221586833.db2.gz HZRKYUKPGYTBJG-SFHVURJKSA-N 0 0 395.528 4.835 10 0 GJAERN Cc1ccc(Oc2cn(C)c(=O)c(Nc3ccc(C(F)(F)F)cc3)n2)c(C)c1 ZINC000028106707 221666828 /nfs/dbraw/zinc/66/68/28/221666828.db2.gz FCQYCQUVMGAAHQ-UHFFFAOYSA-N 0 0 389.377 4.952 10 0 GJAERN Cc1ccc(CNC(=O)c2ccc(-c3nccc(Oc4ccccc4)n3)cc2)o1 ZINC000033130434 221774797 /nfs/dbraw/zinc/77/47/97/221774797.db2.gz JZUXTHAGSXPUPR-UHFFFAOYSA-N 0 0 385.423 4.767 10 0 GJAERN Cc1c2c(c(C)c(C)c1O)O[C@@](C)(Cn1nccc1-c1cccc3c1NCC3)C2 ZINC000089210187 222327296 /nfs/dbraw/zinc/32/72/96/222327296.db2.gz XYUVZPDHHKNHED-XMMPIXPASA-N 0 0 389.499 4.543 10 0 GJAERN COc1cccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2ccccc2)c1 ZINC000036246979 570581194 /nfs/dbraw/zinc/58/11/94/570581194.db2.gz MZAHKMPNIOZDEH-UHFFFAOYSA-N 0 0 385.460 4.538 10 0 GJAERN C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000003045823 570680392 /nfs/dbraw/zinc/68/03/92/570680392.db2.gz BZKQELJXLVAYFN-CJNGLKHVSA-N 0 0 391.968 4.861 10 0 GJAERN COc1cc(C(=O)CN(C)Cc2ccccc2)ccc1OCc1ccccc1 ZINC000077272996 570949380 /nfs/dbraw/zinc/94/93/80/570949380.db2.gz MHSPKHAWBWPVGJ-UHFFFAOYSA-N 0 0 375.468 4.589 10 0 in-vitro GJAERN CCOC(=O)c1cc(CC)sc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000001944224 212260436 /nfs/dbraw/zinc/26/04/36/212260436.db2.gz MHJMESLBMSMPAR-UHFFFAOYSA-N 0 0 389.517 4.802 10 0 GJAERN CCc1ccccc1NC(=O)CCc1cc(OC)c(OC)cc1Br ZINC000001283901 212233854 /nfs/dbraw/zinc/23/38/54/212233854.db2.gz RJQWYCQDPMYCTR-UHFFFAOYSA-N 0 0 392.293 4.600 10 0 GJAERN CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3ncnc(N)c3c2)cc1 ZINC000090415565 212152266 /nfs/dbraw/zinc/15/22/66/212152266.db2.gz GUOBPAOLFWUPCE-UHFFFAOYSA-N 0 0 398.466 4.606 10 0 GJAERN Oc1ccc2c(c1)n(-c1ccc(Br)cc1)nc2-c1ccc(O)cc1O ZINC000003948711 212145405 /nfs/dbraw/zinc/14/54/05/212145405.db2.gz OTLCACUJYLHSSZ-UHFFFAOYSA-N 0 0 397.228 4.572 10 0 GJAERN CCOC(=O)CCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C ZINC000001536427 206386038 /nfs/dbraw/zinc/38/60/38/206386038.db2.gz HPXFYCXZUAIFJM-UHFFFAOYSA-N 0 0 392.455 4.821 10 0 GJAERN COCCCNC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCCC1)O3 ZINC000006793885 206677409 /nfs/dbraw/zinc/67/74/09/206677409.db2.gz CCCKZHPVGYRCDK-UHFFFAOYSA-N 0 0 399.487 4.566 10 0 GJAERN COc1ccc(-c2cc(-c3ccccc3Cl)c3c(N)ncnc3n2)cc1OC ZINC000009694498 206797404 /nfs/dbraw/zinc/79/74/04/206797404.db2.gz DLXNZHMLZYEQIV-UHFFFAOYSA-N 0 0 392.846 4.612 10 0 GJAERN CO[C@H](c1ccc2c(c1)CN(C(=O)CCc1ccco1)CCO2)C1CCCCC1 ZINC000014997127 207040950 /nfs/dbraw/zinc/04/09/50/207040950.db2.gz DSIYKNZKMHGIID-DEOSSOPVSA-N 0 0 397.515 4.901 10 0 GJAERN COc1cccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccc(F)cc2)C3)c1 ZINC000014997394 207039954 /nfs/dbraw/zinc/03/99/54/207039954.db2.gz PDGITADFVWBSLZ-UHFFFAOYSA-N 0 0 393.458 4.905 10 0 GJAERN COc1ccccc1[C@H]1CN(Cc2nc3ccccc3n2C)Cc2ccccc2O1 ZINC000020909161 207219628 /nfs/dbraw/zinc/21/96/28/207219628.db2.gz FAHIKEAHZHBQRF-XMMPIXPASA-N 0 0 399.494 4.718 10 0 GJAERN C[C@@H](NC(=O)c1cccc(Br)c1)c1ccccc1Br ZINC000070134432 207930172 /nfs/dbraw/zinc/93/01/72/207930172.db2.gz JEUGWVTZSQDTCC-SNVBAGLBSA-N 0 0 383.083 4.703 10 0 GJAERN CC(C)(C)OC(=O)N1CCC([S@@](=O)c2ccc(Cl)cc2Cl)CC1 ZINC000083263687 208085885 /nfs/dbraw/zinc/08/58/85/208085885.db2.gz HDYOGDFWKFVXDU-QHCPKHFHSA-N 0 0 378.321 4.501 10 0 GJAERN CC(C)(C)OC(=O)N1CCC(N2c3ccccc3C3(CCCCC3)C2=O)CC1 ZINC000091301926 208113690 /nfs/dbraw/zinc/11/36/90/208113690.db2.gz DJVWRXIXWHJBLO-UHFFFAOYSA-N 0 0 384.520 4.635 10 0 GJAERN CC(C)(C)OC(=O)N1CCC[C@H](Oc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000095084492 208153087 /nfs/dbraw/zinc/15/30/87/208153087.db2.gz GETGPUVZVPZYFK-NSHDSACASA-N 0 0 380.794 4.532 10 0 GJAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCCOc1cccc(Br)n1 ZINC000095086217 208154188 /nfs/dbraw/zinc/15/41/88/208154188.db2.gz CUKRZUVMUMBMJE-AWEZNQCLSA-N 0 0 399.329 4.793 10 0 GJAERN CC(C)N(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095088118 208156389 /nfs/dbraw/zinc/15/63/89/208156389.db2.gz QLMGDHUCZVAQSN-SFHVURJKSA-N 0 0 394.943 4.867 10 0 GJAERN COC(=O)c1c(CC(C)C)c(C(=O)SC)c(C(F)(F)F)nc1C(F)F ZINC000211699827 208815722 /nfs/dbraw/zinc/81/57/22/208815722.db2.gz YTUGXCUYSYDJJX-UHFFFAOYSA-N 0 0 385.354 4.526 10 0 GJAERN Cc1ccccc1-n1c2nnc(SCc3ccccc3)n2c2ccccc2c1=O ZINC000003343592 220631242 /nfs/dbraw/zinc/63/12/42/220631242.db2.gz NMFRQSVIKLZEQD-UHFFFAOYSA-N 0 0 398.491 4.634 10 0 GJAERN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2)CC(=O)N1Cc1ccc(F)cc1 ZINC000006838399 220970145 /nfs/dbraw/zinc/97/01/45/220970145.db2.gz CYGRIJZYUCBVMH-HXUWFJFHSA-N 0 0 381.447 4.567 10 0 GJAERN COC(=O)c1ccc(NC(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)cc1 ZINC000006862466 220972084 /nfs/dbraw/zinc/97/20/84/220972084.db2.gz XHZDONNQRMPTTD-UHFFFAOYSA-N 0 0 394.496 4.677 10 0 GJAERN Cc1ccc(NC(=S)NC(=O)c2ccc(C)c(Br)c2)cc1Cl ZINC000012403298 221189312 /nfs/dbraw/zinc/18/93/12/221189312.db2.gz IJYJRUMFZDCTNZ-UHFFFAOYSA-N 0 0 397.725 4.846 10 0 GJAERN Cc1ccc(C(=O)N(Cc2cccc(OC[C@@H]3CCCCO3)c2)C2CC2)cc1 ZINC000014986854 221324832 /nfs/dbraw/zinc/32/48/32/221324832.db2.gz GXUBEOXOZSYYSO-QHCPKHFHSA-N 0 0 379.500 4.748 10 0 GJAERN O=C(c1cc(Br)c(Br)s1)N1CCCCCCC1 ZINC000015992771 221354061 /nfs/dbraw/zinc/35/40/61/221354061.db2.gz KLXPHPMTFJZIPW-UHFFFAOYSA-N 0 0 381.133 4.679 10 0 GJAERN C[C@@H]1CN(c2nc3ccccc3c(NCc3ccccc3Cl)n2)C[C@@H](C)O1 ZINC000072260572 136167752 /nfs/dbraw/zinc/16/77/52/136167752.db2.gz TVYRVHQYFOKWDL-HUUCEWRRSA-N 0 0 382.895 4.509 10 0 GJAERN COc1cc2c(cc1OC(=O)c1ccccc1)[C@H]1Cc3ccccc3CN1CC2 ZINC000039123634 221885811 /nfs/dbraw/zinc/88/58/11/221885811.db2.gz JRJQPJYUNYATPC-JOCHJYFZSA-N 0 0 385.463 4.570 10 0 GJAERN O=C(c1cccc(F)c1)N1CCC[C@H](c2ccnc(Nc3ccc(F)cc3)n2)C1 ZINC000065148317 222103669 /nfs/dbraw/zinc/10/36/69/222103669.db2.gz DPSSFVDLXAUUBO-INIZCTEOSA-N 0 0 394.425 4.518 10 0 GJAERN C[C@H]1[C@H](NC(=O)c2cc(Br)c(Br)s2)CCC[C@@H]1C ZINC000095081887 222329359 /nfs/dbraw/zinc/32/93/59/222329359.db2.gz XLWWYJAZVIZZCY-QXFUBDJGSA-N 0 0 395.160 4.828 10 0 GJAERN CC(C)N(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088120 222330945 /nfs/dbraw/zinc/33/09/45/222330945.db2.gz FGMWOFGKISTYET-QGZVFWFLSA-N 0 0 394.943 4.724 10 0 GJAERN Brc1ccc(OCc2ccccc2)c(I)c1 ZINC000098181444 222454710 /nfs/dbraw/zinc/45/47/10/222454710.db2.gz MODLWAAGRUEXRL-UHFFFAOYSA-N 0 0 389.030 4.633 10 0 GJAERN CC(C)CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Oc2ccccc2)C[C@H]1C ZINC000073655164 519706776 /nfs/dbraw/zinc/70/67/76/519706776.db2.gz OYYFEPUOUBUBTP-IEBWSBKVSA-N 0 0 390.524 4.789 10 0 GJAERN CCCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@H](C)C1 ZINC000073657178 521432955 /nfs/dbraw/zinc/43/29/55/521432955.db2.gz NTCLZCXIGYCTOY-IEBWSBKVSA-N 0 0 390.524 4.823 10 0 GJAERN Cc1ccc(F)c(Nc2nc(Cl)c3c(n2)CCN(Cc2ccccc2)C3)c1 ZINC000057343731 524825863 /nfs/dbraw/zinc/82/58/63/524825863.db2.gz QWFLYISQMMJYCM-UHFFFAOYSA-N 0 0 382.870 4.879 10 0 GJAERN Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1 ZINC000013673611 581091247 /nfs/dbraw/zinc/09/12/47/581091247.db2.gz DZSUJUOJJJCWGG-UHFFFAOYSA-N 0 0 375.457 4.893 10 0 GJAERN CC1=C(C#N)[C@H](c2cc(Br)cs2)C2=C(CC(C)(C)CC2=O)N1 ZINC000048534396 570250855 /nfs/dbraw/zinc/25/08/55/570250855.db2.gz MWXNLXILXRYAIV-OAHLLOKOSA-N 0 0 377.307 4.638 10 0 GJAERN Fc1ccc(CN[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000020988500 570273111 /nfs/dbraw/zinc/27/31/11/570273111.db2.gz ZYKRJNIATLYSKW-HXUWFJFHSA-N 0 0 377.394 4.894 10 0 GJAERN CC(C)C(=O)N(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)[C@@H](C)C(C)C ZINC000006712299 570547544 /nfs/dbraw/zinc/54/75/44/570547544.db2.gz BLJRMRKRCBVRLD-KRWDZBQOSA-N 0 0 399.535 4.627 10 0 GJAERN Cc1c(C)c(C(=O)Nc2ccc3c(c2)OCO3)n(Cc2cccc(C)c2)c1C ZINC000006801321 570603852 /nfs/dbraw/zinc/60/38/52/570603852.db2.gz DVCGYHOTMNJZGZ-UHFFFAOYSA-N 0 0 376.456 4.751 10 0 GJAERN COc1cc(OC)cc([C@@H]2c3cccn3CCCN2Cc2cccc(F)c2)c1 ZINC000036347432 570628557 /nfs/dbraw/zinc/62/85/57/570628557.db2.gz XTTNCYSBYLPODG-HSZRJFAPSA-N 0 0 380.463 4.640 10 0 GJAERN Cc1cccc(Cn2cccc2C2=N[C@@H](CSCc3ccccc3)CO2)c1 ZINC000004970553 571037078 /nfs/dbraw/zinc/03/70/78/571037078.db2.gz AIZVXGDIXKCFLG-OAQYLSRUSA-N 0 0 376.525 4.924 10 0 GJAERN CCOC(=O)c1cc(CC)sc1NC(=O)CCCOc1ccc(Cl)cc1 ZINC000001906423 212260724 /nfs/dbraw/zinc/26/07/24/212260724.db2.gz MBTXKFYBPZPRBH-UHFFFAOYSA-N 0 0 395.908 4.938 10 0 GJAERN COc1ccc(CON2C(=O)CS[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000038149946 212161150 /nfs/dbraw/zinc/16/11/50/212161150.db2.gz SNHZGAUHGBBEGL-QGZVFWFLSA-N 0 0 384.284 4.708 10 0 GJAERN CCCCn1nc2cc(C(=O)NCCCCc3ccccc3)ccc2c1OC ZINC000090442560 212150920 /nfs/dbraw/zinc/15/09/20/212150920.db2.gz ZUCNLIAHXFSCNJ-UHFFFAOYSA-N 0 0 379.504 4.598 10 0 GJAERN CCn1c(=O)c(CSc2ccc(F)cc2)nnc1Nc1ccc(C(C)C)cc1 ZINC000334163257 206256117 /nfs/dbraw/zinc/25/61/17/206256117.db2.gz XZXDGZUHKKCPHF-UHFFFAOYSA-N 0 0 398.507 4.957 10 0 GJAERN COc1c(Br)cc(Br)cc1CN[C@H](C)c1ccco1 ZINC000035012576 206365322 /nfs/dbraw/zinc/36/53/22/206365322.db2.gz JADVVDBPFGZTDD-SECBINFHSA-N 0 0 389.087 4.664 10 0 GJAERN CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)C(C)(C)C ZINC000001946299 206394211 /nfs/dbraw/zinc/39/42/11/206394211.db2.gz MQEFQCFEPNWESQ-UHFFFAOYSA-N 0 0 375.490 4.975 10 0 GJAERN CCCc1cc(C)nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1 ZINC000002743489 206432342 /nfs/dbraw/zinc/43/23/42/206432342.db2.gz MSFIMUMCHUIDCT-UHFFFAOYSA-N 0 0 384.530 4.592 10 0 GJAERN CC(C)NC(=O)N(Cc1nccn1Cc1ccc(Cl)cc1Cl)C(C)C ZINC000006690093 206662594 /nfs/dbraw/zinc/66/25/94/206662594.db2.gz YKUVCHXDFACIBE-UHFFFAOYSA-N 0 0 383.323 4.567 10 0 GJAERN C[C@H]1CN(Cc2ccc(Oc3ncccn3)cc2)Cc2cc(Cl)ccc2O1 ZINC000014981884 207038778 /nfs/dbraw/zinc/03/87/78/207038778.db2.gz QDZOCTMRQKLPNM-HNNXBMFYSA-N 0 0 381.863 4.705 10 0 GJAERN CCCN(Cc1csc(COc2ccccc2)n1)C(=O)c1ccccc1F ZINC000036114611 207513329 /nfs/dbraw/zinc/51/33/29/207513329.db2.gz ULUPIWCHLKZQDC-UHFFFAOYSA-N 0 0 384.476 4.914 10 0 GJAERN Nc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1Nc1ccc(F)cc1F ZINC000040799898 207612103 /nfs/dbraw/zinc/61/21/03/207612103.db2.gz LGYMCVCZHGMMMT-UHFFFAOYSA-N 0 0 381.308 4.843 10 0 GJAERN CC(C)(C)OC(=O)N1CCC[C@H](CCCOc2ccc(Br)cn2)C1 ZINC000095085016 208153113 /nfs/dbraw/zinc/15/31/13/208153113.db2.gz VJOUJTYDHXSMNV-CQSZACIVSA-N 0 0 399.329 4.650 10 0 GJAERN CN(c1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074072 208153626 /nfs/dbraw/zinc/15/36/26/208153626.db2.gz IRNMBQHSPUZYEH-GFCCVEGCSA-N 0 0 393.837 4.590 10 0 GJAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCCOc1cccc(Br)n1 ZINC000095086216 208155217 /nfs/dbraw/zinc/15/52/17/208155217.db2.gz CUKRZUVMUMBMJE-CQSZACIVSA-N 0 0 399.329 4.793 10 0 GJAERN CC(C)N(CCc1nc(-c2cccc(Cl)c2)no1)C(=O)c1cccs1 ZINC000096292956 208303870 /nfs/dbraw/zinc/30/38/70/208303870.db2.gz FSQBUWAKGXAQHT-UHFFFAOYSA-N 0 0 375.881 4.545 10 0 GJAERN CCOC(=O)c1sc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2c1C ZINC000003015184 220597189 /nfs/dbraw/zinc/59/71/89/220597189.db2.gz MWXUCMRQQRFQGH-UHFFFAOYSA-N 0 0 381.379 4.939 10 0 GJAERN C[C@@H]1CN(C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000014049255 221297398 /nfs/dbraw/zinc/29/73/98/221297398.db2.gz VLPYSXCICSFOBF-HZPDHXFCSA-N 0 0 378.497 4.727 10 0 GJAERN O=C(Nc1ccccc1Cl)c1sc(=S)n2c1[nH]c(=O)c1ccccc12 ZINC000033251426 221777586 /nfs/dbraw/zinc/77/75/86/221777586.db2.gz CMVPUEALWURAOW-UHFFFAOYSA-N 0 0 387.873 4.890 10 0 GJAERN O=C(CN1CCCCCCC1)c1cc(Br)sc1Br ZINC000035036226 221811331 /nfs/dbraw/zinc/81/13/31/221811331.db2.gz HFTSGHNXGUACCG-UHFFFAOYSA-N 0 0 395.160 4.722 10 0 GJAERN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](OCCOc2ccccc2)C1 ZINC000036315680 221850176 /nfs/dbraw/zinc/85/01/76/221850176.db2.gz WPZRRPZFVOYWKE-QGZVFWFLSA-N 0 0 394.298 4.694 10 0 GJAERN Cc1cccc(-n2ncc3c2CCC[C@H]3NCc2nc3ccccc3nc2C)c1C ZINC000055243705 222018092 /nfs/dbraw/zinc/01/80/92/222018092.db2.gz XSDPRAUCOWECDB-HXUWFJFHSA-N 0 0 397.526 4.908 10 0 GJAERN CCn1cc(C2=CCN(C(=O)Nc3ccc(F)cc3F)CC2)c2cccnc21 ZINC000065211745 222111538 /nfs/dbraw/zinc/11/15/38/222111538.db2.gz MWUHTUZCCDYPDH-UHFFFAOYSA-N 0 0 382.414 4.656 10 0 GJAERN O=C(c1ccccc1)N1C=CN(C(=O)c2ccccc2)C1c1c[nH]c2ccccc21 ZINC000059378581 222058368 /nfs/dbraw/zinc/05/83/68/222058368.db2.gz ZYTUIIIJACYKFT-UHFFFAOYSA-N 0 0 393.446 4.936 10 0 GJAERN CSc1nc(Cl)cc(SC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000085333307 222323930 /nfs/dbraw/zinc/32/39/30/222323930.db2.gz UFBVDQJHEHOZDO-LLVKDONJSA-N 0 0 389.974 4.734 10 0 GJAERN CC(C)(C)OC(=O)N1CCC[C@H](CCOc2nc3ccccc3nc2Cl)C1 ZINC000095085164 222330058 /nfs/dbraw/zinc/33/00/58/222330058.db2.gz OEHNBUNMRNNOHZ-CQSZACIVSA-N 0 0 391.899 4.699 10 0 GJAERN CC(C)N(Cc1ccc(Cl)cc1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095088122 222330884 /nfs/dbraw/zinc/33/08/84/222330884.db2.gz KNGSFPGFJOUAJA-UHFFFAOYSA-N 0 0 394.943 4.724 10 0 GJAERN FC(F)(Br)C(F)(F)CCOc1ccccc1Br ZINC000098210658 222454745 /nfs/dbraw/zinc/45/47/45/222454745.db2.gz SMJILODGJVBFQF-UHFFFAOYSA-N 0 0 379.973 4.841 10 0 GJAERN CC(C)CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000073652697 519706671 /nfs/dbraw/zinc/70/66/71/519706671.db2.gz IKOUKRHMKCKVJM-IBGZPJMESA-N 0 0 390.524 4.681 10 0 GJAERN COc1cc2c(cc1OC)-c1c(oc3c(ccc4c3C=CC(C)(C)O4)c1=O)CO2 ZINC000013434200 560216809 /nfs/dbraw/zinc/21/68/09/560216809.db2.gz NGQVFILFHVPLFE-UHFFFAOYSA-N 0 0 392.407 4.554 10 0 biogenic,in-vitro GJAERN CC(=O)c1cccc(NC(=O)NCc2cccnc2Oc2ccc(F)cc2F)c1 ZINC000012448431 570414946 /nfs/dbraw/zinc/41/49/46/570414946.db2.gz VDHWEPJFENUPBE-UHFFFAOYSA-N 0 0 397.381 4.676 10 0 GJAERN Cc1cc2sc(N3CCC[C@H](C(=O)NCc4cccc(F)c4)C3)nc2c(C)c1 ZINC000005107814 570418396 /nfs/dbraw/zinc/41/83/96/570418396.db2.gz IPMSQGUHSUEAED-KRWDZBQOSA-N 0 0 397.519 4.585 10 0 GJAERN COc1cccc(C(=O)N(Cc2cc(-c3ccc(F)cc3)on2)CC(C)C)c1 ZINC000036004677 570509576 /nfs/dbraw/zinc/50/95/76/570509576.db2.gz SXWZPPXFWANULN-UHFFFAOYSA-N 0 0 382.435 4.788 10 0 GJAERN Cc1ccccc1C(=O)Nc1nnc(SCc2cc(F)cc(F)c2)s1 ZINC000006736286 570558510 /nfs/dbraw/zinc/55/85/10/570558510.db2.gz YDNUYCGFTBPORO-UHFFFAOYSA-N 0 0 377.441 4.669 10 0 GJAERN Clc1ccc(Nc2ncc3c(n2)-c2cn(-c4ccccc4)nc2NCC3)cc1 ZINC000045796163 570649094 /nfs/dbraw/zinc/64/90/94/570649094.db2.gz FPLLHKBTOMEPPB-UHFFFAOYSA-N 0 0 388.862 4.694 10 0 GJAERN Cc1cc(-c2cc(F)cc3c2O[C@H](CNC(=O)CCC(F)(F)F)C3)ccc1F ZINC000012098690 570958578 /nfs/dbraw/zinc/95/85/78/570958578.db2.gz KVQWKKNMYMOXBD-HNNXBMFYSA-N 0 0 399.359 4.702 10 0 GJAERN CCCCN(CC(=O)Nc1nc(C)cs1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000004764756 570970982 /nfs/dbraw/zinc/97/09/82/570970982.db2.gz WGOSRHIOWZMTPO-UHFFFAOYSA-N 0 0 387.549 4.630 10 0 GJAERN O=C(CCn1c(Cc2cccc(Cl)c2)nc2ccccc21)NCc1ccco1 ZINC000037397113 571003273 /nfs/dbraw/zinc/00/32/73/571003273.db2.gz JWSRXKNMVYTBKH-UHFFFAOYSA-N 0 0 393.874 4.580 10 0 GJAERN CCNC(=O)c1cc2scc(Br)c2n1Cc1ccccc1C ZINC000037543993 571029339 /nfs/dbraw/zinc/02/93/39/571029339.db2.gz CZBPIXAYCMKSTP-UHFFFAOYSA-N 0 0 377.307 4.572 10 0 GJAERN Cc1ccc2nc(Cl)c(CN(C(=O)c3cnccn3)C3CCCC3)cc2c1 ZINC000001367638 212240089 /nfs/dbraw/zinc/24/00/89/212240089.db2.gz ZXHWYNVUPXXFLB-UHFFFAOYSA-N 0 0 380.879 4.572 10 0 GJAERN CC(C)c1ccc(C(=O)Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000001284254 212234170 /nfs/dbraw/zinc/23/41/70/212234170.db2.gz IGNGJGCABCYKJA-UHFFFAOYSA-N 0 0 385.419 4.830 10 0 GJAERN O=C(c1cc(-c2ccncc2)c(N2CCC(=O)CC2)s1)c1ccc(Cl)cc1 ZINC000035069742 212160808 /nfs/dbraw/zinc/16/08/08/212160808.db2.gz GIFMZRAPYVXMED-UHFFFAOYSA-N 0 0 396.899 4.864 10 0 GJAERN CCN(c1ccc(C(C)C)cc1I)c1nc(C)cc(C)n1 ZINC000000592653 212164433 /nfs/dbraw/zinc/16/44/33/212164433.db2.gz XQPGFRBWNCMCSY-UHFFFAOYSA-N 0 0 395.288 4.979 10 0 GJAERN O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CCOc1ccccc1 ZINC000003609856 212145596 /nfs/dbraw/zinc/14/55/96/212145596.db2.gz XQIMSFAQXXKCJT-UHFFFAOYSA-N 0 0 390.870 4.603 10 0 GJAERN COc1ccc(C(=O)Nc2cnc(C)n2-c2nc(-c3cccs3)cs2)cc1 ZINC000032508790 206256885 /nfs/dbraw/zinc/25/68/85/206256885.db2.gz HTEIPLJHOPZWHG-UHFFFAOYSA-N 0 0 396.497 4.627 10 0 GJAERN CC(=O)Nc1cccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1 ZINC000004930848 206573465 /nfs/dbraw/zinc/57/34/65/206573465.db2.gz LPAVQVVOTIPNRY-UHFFFAOYSA-N 0 0 390.468 4.582 10 0 GJAERN CC(C)C(=O)N(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)[C@H](C)C(C)C ZINC000006712295 206665364 /nfs/dbraw/zinc/66/53/64/206665364.db2.gz BLJRMRKRCBVRLD-QGZVFWFLSA-N 0 0 399.535 4.627 10 0 GJAERN COc1ccc(CCNc2nc(SC)nc3sc4c(c32)CCCC4)cc1 ZINC000012211056 206871984 /nfs/dbraw/zinc/87/19/84/206871984.db2.gz GGHMYYIOEGGTPG-UHFFFAOYSA-N 0 0 385.558 4.955 10 0 GJAERN C[C@H]1CN(C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)C[C@H](C)O1 ZINC000014049258 207008343 /nfs/dbraw/zinc/00/83/43/207008343.db2.gz VLPYSXCICSFOBF-HOTGVXAUSA-N 0 0 378.497 4.727 10 0 GJAERN Cc1ccc(C(=O)N2CCC(n3c4ccccc4nc3[C@H]3CCCO3)CC2)s1 ZINC000014995727 207038991 /nfs/dbraw/zinc/03/89/91/207038991.db2.gz ZHNXOZQCBQUULT-LJQANCHMSA-N 0 0 395.528 4.735 10 0 GJAERN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccccn2)c1OC ZINC000020452703 207193659 /nfs/dbraw/zinc/19/36/59/207193659.db2.gz WZUDIBOLYICPLY-DEOSSOPVSA-N 0 0 399.494 4.728 10 0 GJAERN CCOC(=O)CCCOc1ccc2c(c1Cl)CN(C1CCCCCC1)C2=O ZINC000089211012 208103680 /nfs/dbraw/zinc/10/36/80/208103680.db2.gz BZBGETDLVVLORI-UHFFFAOYSA-N 0 0 393.911 4.741 10 0 GJAERN OC[C@@H]1CCCN(c2nc3ccccc3n2Cc2cc(Cl)ccc2Cl)C1 ZINC000095078554 208153207 /nfs/dbraw/zinc/15/32/07/208153207.db2.gz CZYSQXPSLJGPBX-CQSZACIVSA-N 0 0 390.314 4.600 10 0 GJAERN O=C(Nc1cccc([C@H]2SCC(=O)N2c2cccc(F)c2)c1)C1CCCC1 ZINC000006740188 220956024 /nfs/dbraw/zinc/95/60/24/220956024.db2.gz NLRMZGJIHVPGJD-OAQYLSRUSA-N 0 0 384.476 4.733 10 0 GJAERN c1c2ccccc2oc1-c1cnnc(N2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000012581421 221210110 /nfs/dbraw/zinc/21/01/10/221210110.db2.gz WRMNQIYQIORVHB-INIZCTEOSA-N 0 0 397.438 4.810 10 0 GJAERN CCc1cccc(C)c1NC(=O)COc1c(C)cc(Br)cc1C ZINC000014001264 221295867 /nfs/dbraw/zinc/29/58/67/221295867.db2.gz DNDOVSGANVAXAS-UHFFFAOYSA-N 0 0 376.294 4.954 10 0 GJAERN COc1ccc2c(CC(=O)N[C@@H](C)c3ccccc3Br)coc2c1 ZINC000014425711 221310173 /nfs/dbraw/zinc/31/01/73/221310173.db2.gz UDZCMFMYOSEZBI-LBPRGKRZSA-N 0 0 388.261 4.624 10 0 GJAERN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)Cc2cccs2)cc1 ZINC000015063654 221327821 /nfs/dbraw/zinc/32/78/21/221327821.db2.gz MUZFFKLGHQEDTO-LJQANCHMSA-N 0 0 379.529 4.615 10 0 GJAERN Nc1c(Nc2ccc(Cl)cn2)ncnc1Nc1cccc(Cl)c1Cl ZINC000040778511 221929577 /nfs/dbraw/zinc/92/95/77/221929577.db2.gz RVDHUNGMNBTYTJ-UHFFFAOYSA-N 0 0 381.654 4.901 10 0 GJAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCOc1nc2ccccc2nc1Cl ZINC000095086365 222330018 /nfs/dbraw/zinc/33/00/18/222330018.db2.gz YEISSGQROMVOFT-AWEZNQCLSA-N 0 0 391.899 4.842 10 0 GJAERN O=S(=O)(c1ccccc1)n1ccc2c1ncc(-c1cccc(F)c1)c2Cl ZINC000095936969 222360836 /nfs/dbraw/zinc/36/08/36/222360836.db2.gz JNQMIPUWYVNPDE-UHFFFAOYSA-N 0 0 386.835 4.733 10 0 GJAERN CC(C)CN(C(=O)OC(C)(C)C)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000073652980 519706665 /nfs/dbraw/zinc/70/66/65/519706665.db2.gz SHYGIVLYFYXKGR-UHFFFAOYSA-N 0 0 390.524 4.681 10 0 GJAERN CCN(CC(=O)Nc1c(C)ccc(Br)c1C)Cc1ccccc1 ZINC000504132605 527918671 /nfs/dbraw/zinc/91/86/71/527918671.db2.gz JERLMKUVIZUAJZ-UHFFFAOYSA-N 0 0 375.310 4.527 10 0 GJAERN O=C(NCc1ccncc1)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000034915650 570344655 /nfs/dbraw/zinc/34/46/55/570344655.db2.gz HQQINUVFXQQWFB-UHFFFAOYSA-N 0 0 388.858 4.722 10 0 GJAERN COc1ccc(C2(CNC(=O)/C=C(/C)c3ccccc3)CCCC2)cc1OC ZINC000000824042 570375797 /nfs/dbraw/zinc/37/57/97/570375797.db2.gz XEUUCAZMWGXOIR-SDXDJHTJSA-N 0 0 379.500 4.735 10 0 GJAERN CCCCc1ccc(C(=O)N(CCCC)CC(=O)Nc2ncc(C)s2)cc1 ZINC000035746290 570439475 /nfs/dbraw/zinc/43/94/75/570439475.db2.gz DQIRMMFOWVIUHP-UHFFFAOYSA-N 0 0 387.549 4.675 10 0 GJAERN COc1cccc2cc(NC(=O)/C=C/c3cccc(Cl)c3Cl)c(=O)oc21 ZINC000005185256 570497926 /nfs/dbraw/zinc/49/79/26/570497926.db2.gz GVFAVPLDCDPVDH-CMDGGOBGSA-N 0 0 390.222 4.760 10 0 GJAERN O=C(Nc1c(-c2ccccc2)n[nH]c1C1CCOCC1)Nc1ccc(F)cc1F ZINC000034796949 570544546 /nfs/dbraw/zinc/54/45/46/570544546.db2.gz WELXYYDHQSTVPN-UHFFFAOYSA-N 0 0 398.413 4.893 10 0 GJAERN O[C@H](C[C@@H]1c2ccccc2-c2cncn21)C1CCC(OCc2ccccc2)CC1 ZINC000207679263 570565140 /nfs/dbraw/zinc/56/51/40/570565140.db2.gz BGZYLMZZDLEDEY-LIZXNZSYSA-N 0 0 388.511 4.980 10 0 GJAERN CSc1cccc(NC(=O)c2ccc3c(c2)nnn3Cc2ccc(F)cc2)c1 ZINC000065030434 570651142 /nfs/dbraw/zinc/65/11/42/570651142.db2.gz IXRDVGPIOYVUPI-UHFFFAOYSA-N 0 0 392.459 4.593 10 0 GJAERN COc1cc(OC)c(-c2coc3cc4c(cc3c2=O)C=CC(C)(C)O4)cc1OC ZINC000015150825 291142046 /nfs/dbraw/zinc/14/20/46/291142046.db2.gz KQWHMSRCYTXPHS-UHFFFAOYSA-N 0 0 394.423 4.670 10 0 biogenic GJAERN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCCOc1cccc(C)c1C ZINC000001956382 212260540 /nfs/dbraw/zinc/26/05/40/212260540.db2.gz SLUVJPPDBXFLMQ-UHFFFAOYSA-N 0 0 389.517 4.956 10 0 GJAERN C/C(=C\CC[C@H](C)CCO[C@H]1CCCCO1)CS(=O)(=O)c1ccccc1 ZINC000256015822 212140325 /nfs/dbraw/zinc/14/03/25/212140325.db2.gz ZKLVVBMDTHMJOB-HKCMYDHQSA-N 0 0 380.550 4.756 10 0 GJAERN CCc1ccc(NC(=O)CCc2cc(OC)c(OC)cc2Br)cc1 ZINC000001283902 206371999 /nfs/dbraw/zinc/37/19/99/206371999.db2.gz JJYNBHMOXHQORX-UHFFFAOYSA-N 0 0 392.293 4.600 10 0 GJAERN C[C@H]1N=C(c2cccc(C3=N[C@@H](C)[C@H](c4ccccc4)O3)n2)O[C@H]1c1ccccc1 ZINC000004979036 206580179 /nfs/dbraw/zinc/58/01/79/206580179.db2.gz WAQJMWVRZVOTCH-OIDISNMWSA-N 0 0 397.478 4.895 10 0 GJAERN CCCCC(=O)OCC(CC)(COC(=O)CCCC)COC(=O)CCCC ZINC000005510241 206616478 /nfs/dbraw/zinc/61/64/78/206616478.db2.gz YHDXJOHRSLAGNZ-UHFFFAOYSA-N 0 0 386.529 4.583 10 0 GJAERN Nc1cc(F)ccc1N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000020135583 207179560 /nfs/dbraw/zinc/17/95/60/207179560.db2.gz GFDXPBRAZPCIPV-UHFFFAOYSA-N 0 0 397.444 4.598 10 0 GJAERN NC(=O)c1c(NC(=O)/C=C\c2c(Cl)cccc2Cl)sc2c1CCCC2 ZINC000033321380 207453680 /nfs/dbraw/zinc/45/36/80/207453680.db2.gz SRPPFMLRSFHEDP-HJWRWDBZSA-N 0 0 395.311 4.685 10 0 GJAERN O=S(=O)(c1ccccc1F)N(Cc1ccc(F)cc1F)c1ccc(F)cc1 ZINC000036247244 207517327 /nfs/dbraw/zinc/51/73/27/207517327.db2.gz GAJJLDSRCSVXTK-UHFFFAOYSA-N 0 0 395.377 4.639 10 0 GJAERN O=c1cc(-c2ccc(Br)cc2)c2cc(Br)ccc2[nH]1 ZINC000091692292 208132204 /nfs/dbraw/zinc/13/22/04/208132204.db2.gz ICWNTMDGRNBAEY-UHFFFAOYSA-N 0 0 379.051 4.720 10 0 GJAERN C[C@@H](NC(=O)OC(C)(C)C)c1cc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)no1 ZINC000091301797 208113551 /nfs/dbraw/zinc/11/35/51/208113551.db2.gz WUMTUMNNMDPCQY-SECBINFHSA-N 0 0 396.369 4.822 10 0 GJAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N(Cc1cccc(Cl)c1)C1CC1 ZINC000095086159 208154563 /nfs/dbraw/zinc/15/45/63/208154563.db2.gz MDANWBZEGCKUJM-GOSISDBHSA-N 0 0 392.927 4.621 10 0 GJAERN CCOC(=O)c1cc(OC(C)=O)c2ccc(OC)c(OCc3ccccc3)c2c1 ZINC000095937569 208239978 /nfs/dbraw/zinc/23/99/78/208239978.db2.gz BYESMQSXORAUGX-UHFFFAOYSA-N 0 0 394.423 4.529 10 0 GJAERN Cc1nc(-c2ccc(C(F)(F)F)cc2)ncc1C(=O)NCc1ccccc1F ZINC000096323964 208308942 /nfs/dbraw/zinc/30/89/42/208308942.db2.gz CPNJQIDDTAMXBT-UHFFFAOYSA-N 0 0 389.352 4.540 10 0 GJAERN O=C(c1ccccc1)N(CCc1nc(-c2ccccc2)no1)CCc1ccccc1 ZINC000096278088 208300599 /nfs/dbraw/zinc/30/05/99/208300599.db2.gz NMGRXCSTUCIZDY-UHFFFAOYSA-N 0 0 397.478 4.664 10 0 GJAERN CCOC(=O)c1sc(Br)nc1Cc1cccc2ccccc21 ZINC000098177744 208369959 /nfs/dbraw/zinc/36/99/59/208369959.db2.gz LUGRHXMGNJBYAJ-UHFFFAOYSA-N 0 0 376.275 4.826 10 0 GJAERN CCOc1ccc(/C=C/C(=O)Nc2ccccc2Br)cc1OC ZINC000001918676 220500755 /nfs/dbraw/zinc/50/07/55/220500755.db2.gz RCDZFDKGLRCBLH-PKNBQFBNSA-N 0 0 376.250 4.508 10 0 GJAERN COc1cc(-c2cccc(Cl)c2)cc2c1OCCN(C(=O)c1ccoc1)C2 ZINC000012280102 221175043 /nfs/dbraw/zinc/17/50/43/221175043.db2.gz JQKIEQAQZXQUJQ-UHFFFAOYSA-N 0 0 383.831 4.643 10 0 GJAERN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1N1CCCC1=O ZINC000012568840 221208713 /nfs/dbraw/zinc/20/87/13/221208713.db2.gz KNWKFCAXDWITDZ-UHFFFAOYSA-N 0 0 397.906 4.709 10 0 GJAERN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc2c(n1)[nH]c1ccccc12 ZINC000016048411 221356612 /nfs/dbraw/zinc/35/66/12/221356612.db2.gz FQVFZMQDOCVTNY-LBPRGKRZSA-N 0 0 387.468 4.659 10 0 GJAERN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc2c(n1)[nH]c1ccccc12 ZINC000016048410 221356280 /nfs/dbraw/zinc/35/62/80/221356280.db2.gz FQVFZMQDOCVTNY-GFCCVEGCSA-N 0 0 387.468 4.659 10 0 GJAERN Cc1ccc(/C=C\C(=O)Nc2ccccc2NC(=O)/C=C\c2ccc(C)o2)o1 ZINC000033456007 221792657 /nfs/dbraw/zinc/79/26/57/221792657.db2.gz HVABPSZETGVCBO-XSYHWHKQSA-N 0 0 376.412 4.793 10 0 GJAERN Cc1cc(-c2nnc(C3CCC3)o2)c(C)n1CC(=O)Nc1cc(C)ccc1F ZINC000065194801 222109126 /nfs/dbraw/zinc/10/91/26/222109126.db2.gz WOWMXXRLMITYBI-UHFFFAOYSA-N 0 0 382.439 4.509 10 0 GJAERN COC(=O)c1cccc(Nc2nc(-c3cccnc3)nc3sc(C)cc32)c1 ZINC000072260858 222219032 /nfs/dbraw/zinc/21/90/32/222219032.db2.gz ZCOKQEGVVLBOGH-UHFFFAOYSA-N 0 0 376.441 4.592 10 0 GJAERN CC(C)(C)OC(=O)N1CC[C@@H](CSc2nc3ccccc3nc2Cl)C1 ZINC000085333494 222323990 /nfs/dbraw/zinc/32/39/90/222323990.db2.gz KCODCINJOGYZSQ-GFCCVEGCSA-N 0 0 379.913 4.632 10 0 GJAERN Cc1ccc(F)c(O[C@H](CCN2CCOCC2)c2cccc(C(F)(F)F)c2)c1 ZINC000096281688 222408672 /nfs/dbraw/zinc/40/86/72/222408672.db2.gz DPTYANATUZGBRQ-LJQANCHMSA-N 0 0 397.412 4.995 10 0 GJAERN COc1cccc(-c2cc(=O)[nH]c(Nc3cc(C(F)(F)F)ccc3Cl)n2)c1 ZINC000057341626 525699212 /nfs/dbraw/zinc/69/92/12/525699212.db2.gz BWPHDKXHQYTRSD-UHFFFAOYSA-N 0 0 395.768 4.861 10 0 GJAERN COc1ccc(-c2csc3ncnc(N4CCO[C@H]5CCCC[C@@H]54)c23)cc1 ZINC000079017467 536502170 /nfs/dbraw/zinc/50/21/70/536502170.db2.gz BNCBDHOZSCUXRX-ROUUACIJSA-N 0 0 381.501 4.515 10 0 GJAERN Cc1cc(OCC(=O)Nc2cccc3c2CCCC3)c(C)cc1Br ZINC000020344598 570252592 /nfs/dbraw/zinc/25/25/92/570252592.db2.gz JWOFKOJTHUTJFR-UHFFFAOYSA-N 0 0 388.305 4.962 10 0 GJAERN FC(F)(Br)C(F)(F)CCOc1ccc(Br)cc1 ZINC000098210660 570263807 /nfs/dbraw/zinc/26/38/07/570263807.db2.gz WJZLRNIWFMEURU-UHFFFAOYSA-N 0 0 379.973 4.841 10 0 GJAERN COc1ccc(NC(=S)N(Cc2ccc(Cl)cc2)C[C@H]2CCCO2)cc1 ZINC000005738531 570454153 /nfs/dbraw/zinc/45/41/53/570454153.db2.gz DUIHZROEOUTXHV-LJQANCHMSA-N 0 0 390.936 4.727 10 0 GJAERN Cc1sc2nc(C(C)C)nc(N3CCN(c4ccc(F)cc4)CC3)c2c1C ZINC000035892894 570474184 /nfs/dbraw/zinc/47/41/84/570474184.db2.gz LXLLFGKLGRFERC-UHFFFAOYSA-N 0 0 384.524 4.897 10 0 GJAERN CCC(=O)N(Cc1cc(-c2ccc(C)cc2C)on1)Cc1ccc2c(c1)OCO2 ZINC000036012356 570509373 /nfs/dbraw/zinc/50/93/73/570509373.db2.gz VIINNDDQEMBESB-UHFFFAOYSA-N 0 0 392.455 4.626 10 0 GJAERN O=C(OCc1ccccc1)N1CC[C@@]23CCCC[C@H]2[C@@H]1Cc1ccc(O)cc13 ZINC000044136053 570632083 /nfs/dbraw/zinc/63/20/83/570632083.db2.gz GPYJBNLHEROROX-SSPYTLHUSA-N 0 0 377.484 4.787 10 0 in-vitro GJAERN CCCc1nn(-c2ccc(F)cc2)c(CC)c1C(=O)N(C)Cc1ccccc1 ZINC000006874249 570665267 /nfs/dbraw/zinc/66/52/67/570665267.db2.gz CPQJJVWACIGSDC-UHFFFAOYSA-N 0 0 379.479 4.799 10 0 GJAERN O=S(=O)(Cc1ccccc1)Nc1cccc(-c2cc3cc(F)ccc3[nH]2)c1 ZINC000033106138 570810574 /nfs/dbraw/zinc/81/05/74/570810574.db2.gz UIHFDKROCPHMIB-UHFFFAOYSA-N 0 0 380.444 4.916 10 0 GJAERN CCOC(=O)c1cc(CC)sc1NC(=O)CCCOc1cccc(C)c1 ZINC000001906386 212259838 /nfs/dbraw/zinc/25/98/38/212259838.db2.gz DJMSXKZPKMGESS-UHFFFAOYSA-N 0 0 375.490 4.593 10 0 GJAERN CCc1ccccc1NC(=O)/C=C/c1cc(Br)c(OC)c(OC)c1 ZINC000001983661 212262145 /nfs/dbraw/zinc/26/21/45/212262145.db2.gz LZDNHRHOOMYXAB-MDZDMXLPSA-N 0 0 390.277 4.681 10 0 GJAERN O=C(Nc1nnc(C(F)(F)F)s1)/C(=C\c1ccccc1)c1ccccc1 ZINC000001126769 212220147 /nfs/dbraw/zinc/22/01/47/212220147.db2.gz DDRIAGBAITVVKA-KAMYIIQDSA-N 0 0 375.375 4.736 10 0 GJAERN CC[C@H](C)[C@@H](NC(=O)[C@H](CCSC)n1cccc1)c1nc2ccccc2[nH]1 ZINC000334160733 212107174 /nfs/dbraw/zinc/10/71/74/212107174.db2.gz LETXEFIBVVVPKP-ZYSHUDEJSA-N 0 0 384.549 4.562 10 0 GJAERN CCN1C(=S)N=NC1CCCOc1ccc(C(C)(C)C)cc1Br ZINC000026469245 206262036 /nfs/dbraw/zinc/26/20/36/206262036.db2.gz MREJNZKIFUQQNN-UHFFFAOYSA-N 0 0 398.370 4.658 10 0 GJAERN CC(=O)Nc1ccc(Sc2nc3ccccc3c(Nc3cscn3)n2)cc1 ZINC000090759725 206298838 /nfs/dbraw/zinc/29/88/38/206298838.db2.gz DWUDBCSPYWQHBH-UHFFFAOYSA-N 0 0 393.497 4.940 10 0 GJAERN COc1cc(Br)c(CCC(=O)Nc2c(C)cccc2C)cc1OC ZINC000001283898 206371700 /nfs/dbraw/zinc/37/17/00/206371700.db2.gz RUCOPAOZEOWKEF-UHFFFAOYSA-N 0 0 392.293 4.654 10 0 GJAERN CCOc1ccc(-c2c(C)sc(NC(=O)c3ccncc3)c2C(=O)OC)cc1 ZINC000001979044 206396393 /nfs/dbraw/zinc/39/63/93/206396393.db2.gz NHJWGQKXCGTIRB-UHFFFAOYSA-N 0 0 396.468 4.556 10 0 GJAERN CCOC(=O)c1csc(-n2nc(/C=C\c3ccccc3)cc2C(F)(F)F)n1 ZINC000005242861 206601942 /nfs/dbraw/zinc/60/19/42/206601942.db2.gz KJOBXZOOJKOROF-HJWRWDBZSA-N 0 0 393.390 4.695 10 0 GJAERN C[C@H](NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1)c1ccccc1 ZINC000006875526 206688152 /nfs/dbraw/zinc/68/81/52/206688152.db2.gz JTRFDSNYMRCLKJ-ONGXBYRLSA-N 0 0 390.508 4.536 10 0 GJAERN COc1ccccc1CNCc1cccc(OC)c1OCc1ccc(C)cc1 ZINC000013720718 206993625 /nfs/dbraw/zinc/99/36/25/206993625.db2.gz OQNIGBNLYPNHID-UHFFFAOYSA-N 0 0 377.484 4.881 10 0 GJAERN COc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000013755790 206997949 /nfs/dbraw/zinc/99/79/49/206997949.db2.gz DYJXKHJKHDHNON-UHFFFAOYSA-N 0 0 392.398 4.850 10 0 GJAERN Cn1c(CCc2cccc(NC(=O)CCc3ccccc3)c2)nc2ccccc21 ZINC000015863699 207065001 /nfs/dbraw/zinc/06/50/01/207065001.db2.gz JHRRILXDTPOLDQ-UHFFFAOYSA-N 0 0 383.495 4.930 10 0 GJAERN C[C@H](/N=c1\ccccn1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000018155086 207093514 /nfs/dbraw/zinc/09/35/14/207093514.db2.gz KXEUIJWKGSCQCR-MIIVRJSTSA-N 0 0 375.350 4.842 10 0 GJAERN Cc1nonc1CN(C)Cc1nc(-c2cccc(Oc3ccccc3)c2)oc1C ZINC000020537097 207201273 /nfs/dbraw/zinc/20/12/73/207201273.db2.gz HMJXZGFQDANYMC-UHFFFAOYSA-N 0 0 390.443 4.766 10 0 GJAERN O=C(Nc1nnc(Cc2nc3ccccc3s2)s1)c1ccccc1Cl ZINC000020946404 207220562 /nfs/dbraw/zinc/22/05/62/207220562.db2.gz QFSDNMOEWWXUHP-UHFFFAOYSA-N 0 0 386.889 4.644 10 0 GJAERN C[C@@H](Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(Br)s1 ZINC000038002550 207250341 /nfs/dbraw/zinc/25/03/41/207250341.db2.gz QAIYPUSJNWRPNK-MRVPVSSYSA-N 0 0 394.743 4.741 10 0 GJAERN CCOC(=O)c1sc2nc(C)nc(Nc3ccc(OC)c(Cl)c3)c2c1C ZINC000072260948 207990035 /nfs/dbraw/zinc/99/00/35/207990035.db2.gz OJRAPVOLDAOBLM-UHFFFAOYSA-N 0 0 391.880 4.890 10 0 GJAERN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000095086154 208155864 /nfs/dbraw/zinc/15/58/64/208155864.db2.gz QSMWYSAQOYQKJJ-SFHVURJKSA-N 0 0 392.927 4.621 10 0 GJAERN COC(=O)c1ccc2c(c1)n(C(=O)OC(C)(C)C)nc2-c1ccccc1Cl ZINC000095930101 208238850 /nfs/dbraw/zinc/23/88/50/208238850.db2.gz JNXAULBSHGQBTL-UHFFFAOYSA-N 0 0 386.835 4.927 10 0 GJAERN O=C1c2n[nH]c(-c3cccs3)c2[C@@H](c2ccccc2Cl)N1c1nccs1 ZINC000096336153 208307837 /nfs/dbraw/zinc/30/78/37/208307837.db2.gz NZBTVVLMTMHNFH-MRXNPFEDSA-N 0 0 398.900 4.998 10 0 GJAERN O=C1c2ccccc2[C@H](CCCc2ccccc2)C(=O)N1OCc1ccccc1 ZINC000098181253 208369055 /nfs/dbraw/zinc/36/90/55/208369055.db2.gz CDFQOBHLYFFUPP-QHCPKHFHSA-N 0 0 385.463 4.907 10 0 GJAERN CCOC(=O)c1cccc(NC(=O)c2ccccc2-c2nc3ccccc3[nH]2)c1 ZINC000003072091 220603569 /nfs/dbraw/zinc/60/35/69/220603569.db2.gz DTFFQPLPUAVOFW-UHFFFAOYSA-N 0 0 385.423 4.659 10 0 GJAERN C[C@@H](CCCC(C)(C)O)NC(=O)c1ccc2oc(CCc3ccccc3)nc2c1 ZINC000012439216 221194714 /nfs/dbraw/zinc/19/47/14/221194714.db2.gz XNBRKEDLFOXJNP-KRWDZBQOSA-N 0 0 394.515 4.673 10 0 GJAERN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 ZINC000013118785 221262033 /nfs/dbraw/zinc/26/20/33/221262033.db2.gz YMFMORADVQJPBI-PBHICJAKSA-N 0 0 380.517 4.559 10 0 GJAERN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 ZINC000013118786 221262036 /nfs/dbraw/zinc/26/20/36/221262036.db2.gz YMFMORADVQJPBI-YOEHRIQHSA-N 0 0 380.517 4.559 10 0 GJAERN COc1ccccc1CNCc1cccc(OC)c1OCc1ccccc1F ZINC000013720333 221284238 /nfs/dbraw/zinc/28/42/38/221284238.db2.gz KKBZKZXRIIVRII-UHFFFAOYSA-N 0 0 381.447 4.712 10 0 GJAERN O=C(Nc1ccc2c(c1)CN(C(=O)[C@H]1CC=CCC1)CC2)c1ccccc1Cl ZINC000014962708 221322134 /nfs/dbraw/zinc/32/21/34/221322134.db2.gz APAMJVISYHFSAW-KRWDZBQOSA-N 0 0 394.902 4.833 10 0 GJAERN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)Cc2cccs2)cc1 ZINC000015063653 221327627 /nfs/dbraw/zinc/32/76/27/221327627.db2.gz MUZFFKLGHQEDTO-IBGZPJMESA-N 0 0 379.529 4.615 10 0 GJAERN COc1cc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2nccs2)ccc1F ZINC000015075329 221331776 /nfs/dbraw/zinc/33/17/76/221331776.db2.gz IRNWDMXNVXBMGY-JOCHJYFZSA-N 0 0 393.487 4.920 10 0 GJAERN Cc1oc(-c2ccc(F)cc2F)nc1CN(C)Cc1nc(-c2ccccc2)no1 ZINC000019741194 221449604 /nfs/dbraw/zinc/44/96/04/221449604.db2.gz FKCLPSHDQIKRLY-UHFFFAOYSA-N 0 0 396.397 4.610 10 0 GJAERN CC(=O)Nc1ccc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2ccccn2)cc1 ZINC000020909475 221517872 /nfs/dbraw/zinc/51/78/72/221517872.db2.gz SCURZIMNLJCSTB-RUZDIDTESA-N 0 0 396.494 4.669 10 0 GJAERN CCCCN1c2cccnc2S[C@@H](CC(=O)Nc2ccccc2C(C)C)C1=O ZINC000065172285 136159907 /nfs/dbraw/zinc/15/99/07/136159907.db2.gz SOMNUWVEJVMEIU-IBGZPJMESA-N 0 0 397.544 4.841 10 0 GJAERN Cc1cc2nc(CN(C)C(=O)c3cc([C@H](C)c4ccccc4)no3)[nH]c2cc1C ZINC000299770826 209086427 /nfs/dbraw/zinc/08/64/27/209086427.db2.gz MUTZGUDDGKPWNZ-MRXNPFEDSA-N 0 0 388.471 4.592 10 0 GJAERN CCOC(=O)c1c(NC(=O)/C=C\c2c(F)cccc2Cl)sc2c1CCC2 ZINC000033449011 221792329 /nfs/dbraw/zinc/79/23/29/221792329.db2.gz LTSFNISZXGJZCS-KTKRTIGZSA-N 0 0 393.867 4.858 10 0 GJAERN Cc1oc(-c2ccc(C)cc2)nc1CN(Cc1ccccn1)C[C@H]1CCCO1 ZINC000055341747 222019855 /nfs/dbraw/zinc/01/98/55/222019855.db2.gz XCXGNRNSMKUBRM-OAQYLSRUSA-N 0 0 377.488 4.535 10 0 GJAERN Cc1ccc(-c2nnc(-c3nc4ccccc4c(N(C)Cc4ccco4)n3)o2)cc1 ZINC000064969973 222090933 /nfs/dbraw/zinc/09/09/33/222090933.db2.gz LYXVEHJLJYPMGX-UHFFFAOYSA-N 0 0 397.438 4.885 10 0 GJAERN CC(C)(C)OC(=O)N1CCC[C@H](Sc2nc3ccccc3nc2Cl)C1 ZINC000085332680 222322763 /nfs/dbraw/zinc/32/27/63/222322763.db2.gz AZVCXSLMEYUHCT-LBPRGKRZSA-N 0 0 379.913 4.775 10 0 GJAERN CC(C)[C@@H](NC(=O)Cn1c2ccccc2nc1C(F)(F)F)c1ccc(F)cc1 ZINC000104969696 222504935 /nfs/dbraw/zinc/50/49/35/222504935.db2.gz HXWQKNYLYIQQEC-GOSISDBHSA-N 0 0 393.384 4.708 10 0 GJAERN Fc1ccc(F)c(Nc2nc(Cl)c3c(n2)CCN(Cc2ccccc2)C3)c1 ZINC000057343705 526351187 /nfs/dbraw/zinc/35/11/87/526351187.db2.gz MMKPKYMHYFSZFW-UHFFFAOYSA-N 0 0 386.833 4.710 10 0 GJAERN CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H](CCC)[C@@]3(OC(=O)C4=C3CCC=C4)[C@H]21 ZINC000203003537 560044314 /nfs/dbraw/zinc/04/43/14/560044314.db2.gz TYSOMZQRYGBSKN-ZYKNEQFCSA-N 0 0 380.484 4.922 10 0 GJAERN COc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)Nc2cccc(F)c2)c(OC)c1 ZINC000034796694 570338256 /nfs/dbraw/zinc/33/82/56/570338256.db2.gz VGKZAQPKJZUNCB-UHFFFAOYSA-N 0 0 396.422 4.754 10 0 GJAERN COc1ccc(-c2nc3ccccn3c2NC(=O)C2CCCCC2)cc1OC ZINC000034912564 570346339 /nfs/dbraw/zinc/34/63/39/570346339.db2.gz RJDMNLYOLNLQKH-UHFFFAOYSA-N 0 0 379.460 4.537 10 0 GJAERN O=C(Nc1ccccc1)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000033038150 570673889 /nfs/dbraw/zinc/67/38/89/570673889.db2.gz ATKADKBCKFWYHI-UHFFFAOYSA-N 0 0 398.466 4.720 10 0 GJAERN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(SC)cc1 ZINC000004684673 570830388 /nfs/dbraw/zinc/83/03/88/570830388.db2.gz BCRHRBMHCZIVHU-IBGZPJMESA-N 0 0 379.485 4.610 10 0 GJAERN O=C(c1ccccc1)N1CCOc2ccc(COCc3cccc(F)c3)cc2C1 ZINC000033297035 570961535 /nfs/dbraw/zinc/96/15/35/570961535.db2.gz VQZOKEVCWQEVFT-UHFFFAOYSA-N 0 0 391.442 4.577 10 0 GJAERN CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)cc1 ZINC000001945534 212260138 /nfs/dbraw/zinc/26/01/38/212260138.db2.gz DBWKSOWSAXZVLG-OQLLNIDSSA-N 0 0 382.504 4.981 10 0 GJAERN COc1cc(/C=C/C(=O)Nc2cccc(Cl)c2)cc(Br)c1OC ZINC000001983877 212261392 /nfs/dbraw/zinc/26/13/92/212261392.db2.gz QMSTVEGRBYGOIH-VOTSOKGWSA-N 0 0 396.668 4.772 10 0 GJAERN CCOc1ccc2nc(NC(=O)Cc3coc4cc(OC)ccc34)sc2c1 ZINC000003559758 209119107 /nfs/dbraw/zinc/11/91/07/209119107.db2.gz GBUBPQGVWJBMHM-UHFFFAOYSA-N 0 0 382.441 4.631 10 0 GJAERN C[C@H](NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1)c1ccccc1 ZINC000230075967 206260225 /nfs/dbraw/zinc/26/02/25/206260225.db2.gz JTRFDSNYMRCLKJ-RVHYNSKXSA-N 0 0 390.508 4.536 10 0 GJAERN COc1ccc([C@H]2CNC(=O)[C@H](Cc3cccc(C)c3)C2)cc1OC1CCCC1 ZINC000006716154 206295047 /nfs/dbraw/zinc/29/50/47/206295047.db2.gz ABEJDMOBAFLQNJ-NHCUHLMSSA-N 0 0 393.527 4.787 10 0 investigational GJAERN CC(C)CN1C(=O)CS[C@@H]1c1cnccc1-c1ccc(Br)cc1 ZINC000028819522 206303418 /nfs/dbraw/zinc/30/34/18/206303418.db2.gz RVHDQCOFRZYBFK-GOSISDBHSA-N 0 0 391.334 4.741 10 0 GJAERN COc1ccccc1CON1C(=O)CS[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000038149956 206304651 /nfs/dbraw/zinc/30/46/51/206304651.db2.gz GRDSVEHEPRVHLQ-QGZVFWFLSA-N 0 0 384.284 4.708 10 0 GJAERN CC(C)c1ccc(CN(C(=O)Cc2ccc(N3CCCC3=O)cc2)C2CC2)cc1 ZINC000008357648 206749218 /nfs/dbraw/zinc/74/92/18/206749218.db2.gz MNGFOPRXZUHSJH-UHFFFAOYSA-N 0 0 390.527 4.671 10 0 GJAERN CC1CCC(NC(=O)c2cc(Br)c(Br)s2)CC1 ZINC000014717679 207026632 /nfs/dbraw/zinc/02/66/32/207026632.db2.gz SZAUXFCBBDXAAO-UHFFFAOYSA-N 0 0 381.133 4.582 10 0 GJAERN CN(Cc1cc2ccccc2s1)C(=O)c1cc(CCc2ccccc2)no1 ZINC000015070625 207045124 /nfs/dbraw/zinc/04/51/24/207045124.db2.gz HSIJWKYFXAPWNH-UHFFFAOYSA-N 0 0 376.481 4.947 10 0 GJAERN COCc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2F)ccc1OC ZINC000020352830 207188989 /nfs/dbraw/zinc/18/89/89/207188989.db2.gz RSJYNQSXPOPLOF-JOCHJYFZSA-N 0 0 392.430 4.752 10 0 GJAERN O=C(c1cccc(-c2ccns2)c1)N1CCCC2(CC1)SCCS2 ZINC000042750366 207624336 /nfs/dbraw/zinc/62/43/36/207624336.db2.gz YYYIHIDOAXILIN-UHFFFAOYSA-N 0 0 376.572 4.613 10 0 GJAERN O=C(OCc1ccccc1)N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13 ZINC000044136050 207633438 /nfs/dbraw/zinc/63/34/38/207633438.db2.gz GPYJBNLHEROROX-SFLYRZDNSA-N 0 0 377.484 4.787 10 0 in-vitro GJAERN Cc1ccc(Nc2nccc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)cc1 ZINC000065148094 207838372 /nfs/dbraw/zinc/83/83/72/207838372.db2.gz HPSYOZKXKRDHFB-GOSISDBHSA-N 0 0 390.462 4.688 10 0 GJAERN CC(C)(C)OC(=O)N1CCC[C@H]1CSc1nc2ccccc2nc1Cl ZINC000085333500 208100834 /nfs/dbraw/zinc/10/08/34/208100834.db2.gz ZHFUFNIWWUMUID-LBPRGKRZSA-N 0 0 379.913 4.775 10 0 GJAERN CC(C)N(Cc1ccccc1Cl)C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095088159 208154618 /nfs/dbraw/zinc/15/46/18/208154618.db2.gz KNSGAMDZKRATHX-QGZVFWFLSA-N 0 0 394.943 4.724 10 0 GJAERN CCOC(=O)Cc1cnc(N(C)c2nc(-c3ccc(Cl)cc3)oc2C)s1 ZINC000098181440 208370533 /nfs/dbraw/zinc/37/05/33/208370533.db2.gz VZKIJDDQTFOMMB-UHFFFAOYSA-N 0 0 391.880 4.633 10 0 GJAERN O=C1O[C@H](C(=CNc2ccc(Oc3ccccc3)cc2)[N+](=O)[O-])c2ccccc21 ZINC000100472804 208376467 /nfs/dbraw/zinc/37/64/67/208376467.db2.gz FUMVHXULYBNZFV-URBQWANRSA-N 0 0 388.379 4.921 10 0 GJAERN O=C(c1ccccc1I)[C@@H](c1ccccc1)c1ccccn1 ZINC000169333176 208731278 /nfs/dbraw/zinc/73/12/78/208731278.db2.gz BECLDHQQMNYCJB-SFHVURJKSA-N 0 0 399.231 4.701 10 0 GJAERN Cc1cc2c(cc1Cl)c(I)cn2C(=O)OC(C)(C)C ZINC000299889553 209093591 /nfs/dbraw/zinc/09/35/91/209093591.db2.gz KYIUIWGRZNMECW-UHFFFAOYSA-N 0 0 391.636 4.991 10 0 GJAERN C[C@@H](NC(=O)/C=C\c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 ZINC000033772457 221796662 /nfs/dbraw/zinc/79/66/62/221796662.db2.gz XZLIRISHXUWHPU-JJCXBQPYSA-N 0 0 381.479 4.975 10 0 GJAERN Cc1cc(C)c(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3Cl)C2=O)c(C)c1 ZINC000036635533 221861904 /nfs/dbraw/zinc/86/19/04/221861904.db2.gz LPNPBUJSUNJIGY-MRXNPFEDSA-N 0 0 377.271 4.663 10 0 GJAERN Cc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)N[C@H](C)c3ccccc3)C2)c1 ZINC000065136515 222102885 /nfs/dbraw/zinc/10/28/85/222102885.db2.gz SVLRRMDAYWKELV-UXHICEINSA-N 0 0 393.531 4.897 10 0 GJAERN Cc1cccc(Nc2nccc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 ZINC000065148029 222103985 /nfs/dbraw/zinc/10/39/85/222103985.db2.gz OSYMSZXSTWQGKC-SFHVURJKSA-N 0 0 390.462 4.688 10 0 GJAERN CC(C)(C)CC(=O)Nc1nn2cccnc2c1-c1ccc(OC(F)(F)F)cc1 ZINC000095560823 222354974 /nfs/dbraw/zinc/35/49/74/222354974.db2.gz ZPWMAOSJDRLCFE-UHFFFAOYSA-N 0 0 392.381 4.670 10 0 GJAERN Fc1cc(F)cc(Nc2nc(Cl)c3c(n2)CCN(Cc2ccccc2)C3)c1 ZINC000057343717 526308949 /nfs/dbraw/zinc/30/89/49/526308949.db2.gz MLSPSOVZIGFGSC-UHFFFAOYSA-N 0 0 386.833 4.710 10 0 GJAERN O=S(=O)(c1ccc(-c2nc3ccccc3[nH]2)o1)c1ccc(Cl)c(Cl)c1 ZINC000033872642 527268293 /nfs/dbraw/zinc/26/82/93/527268293.db2.gz MNVSVQKLUAAHPL-UHFFFAOYSA-N 0 0 393.251 4.963 10 0 GJAERN Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)N1CCCCC1 ZINC000004935502 570374007 /nfs/dbraw/zinc/37/40/07/570374007.db2.gz ADLIBZFQJLJMJV-UHFFFAOYSA-N 0 0 396.922 4.612 10 0 GJAERN CC(C)N(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccco1 ZINC000006689285 570533674 /nfs/dbraw/zinc/53/36/74/570533674.db2.gz BUUYZNHXMWEOMS-UHFFFAOYSA-N 0 0 392.286 4.882 10 0 GJAERN Cc1ccccc1OCc1nc(CN(C(=O)Cc2ccccc2)C2CC2)cs1 ZINC000036114868 570544006 /nfs/dbraw/zinc/54/40/06/570544006.db2.gz PLTVCZKNUYICHT-UHFFFAOYSA-N 0 0 392.524 4.764 10 0 GJAERN CSc1cccc(NC(=O)CCc2nc3cccnc3n2-c2ccccc2)c1 ZINC000006737630 570560005 /nfs/dbraw/zinc/56/00/05/570560005.db2.gz HWMPARPZMVMBPA-UHFFFAOYSA-N 0 0 388.496 4.714 10 0 GJAERN Cc1c(C[NH2+]Cc2ccc(C)cc2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1 ZINC000006806749 570607441 /nfs/dbraw/zinc/60/74/41/570607441.db2.gz JAWIUECQBICLRA-UHFFFAOYSA-N 0 0 380.463 4.589 10 0 GJAERN C[C@H]1CCCC[C@H]1NC(=O)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 ZINC000013118788 570762893 /nfs/dbraw/zinc/76/28/93/570762893.db2.gz YMFMORADVQJPBI-WMLDXEAASA-N 0 0 380.517 4.559 10 0 GJAERN CC(C)c1[nH]nc(I)c1-c1cccc(Br)c1 ZINC000675076450 570910580 /nfs/dbraw/zinc/91/05/80/570910580.db2.gz NTRLWJMXWMJPDG-UHFFFAOYSA-N 0 0 391.050 4.567 10 0 GJAERN O=C(CCn1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21)NC1CC1 ZINC000037397225 571003819 /nfs/dbraw/zinc/00/38/19/571003819.db2.gz OBKVTQXWEULPJG-UHFFFAOYSA-N 0 0 388.298 4.603 10 0 GJAERN C=C1C[C@@H]2[C@H]3CC[C@@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@H]2[C@]2(C)CCC(=O)C=C12 ZINC000004727178 581091676 /nfs/dbraw/zinc/09/16/76/581091676.db2.gz YCDZXIYKJHQMIG-UVGIATQHSA-N 0 0 384.516 4.575 10 0 GJAERN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C)C ZINC000001953239 212260368 /nfs/dbraw/zinc/26/03/68/212260368.db2.gz UJIMXPRXRRXREN-UHFFFAOYSA-N 0 0 396.306 4.949 10 0 GJAERN COC(=O)c1c(NC(=O)COc2ccc(C)cc2)sc(C)c1-c1ccccc1 ZINC000001979084 212261596 /nfs/dbraw/zinc/26/15/96/212261596.db2.gz CBTASWZXVQEUAD-UHFFFAOYSA-N 0 0 395.480 4.836 10 0 GJAERN COc1cccc(C(=O)Nc2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)c1 ZINC000001006685 212204704 /nfs/dbraw/zinc/20/47/04/212204704.db2.gz VINUCDPFMPHRHB-UHFFFAOYSA-N 0 0 398.821 4.992 10 0 GJAERN Cc1cccc(Nc2nc(NCCC3=CCCCC3)nc(N3CCCC3)n2)c1 ZINC000000756816 212180066 /nfs/dbraw/zinc/18/00/66/212180066.db2.gz RVFFCTOLXCRGLX-UHFFFAOYSA-N 0 0 378.524 4.826 10 0 GJAERN Nc1ccccc1NC(=O)c1ccc(Cn2nc(Cl)c3ccccc32)cc1 ZINC000090623905 212151593 /nfs/dbraw/zinc/15/15/93/212151593.db2.gz NWNFDKKYNZBFCL-UHFFFAOYSA-N 0 0 376.847 4.573 10 0 GJAERN Clc1ccc([C@@H]([C@H](c2ccccc2)c2ccncc2)N2CCOCC2)cc1 ZINC000015784055 212149832 /nfs/dbraw/zinc/14/98/32/212149832.db2.gz FXFVKGWWGFQVOI-PKTZIBPZSA-N 0 0 378.903 4.940 10 0 GJAERN Cc1ncc(NC(=O)c2ccccc2C)n1-c1nc(-c2cccs2)cs1 ZINC000032642173 212109032 /nfs/dbraw/zinc/10/90/32/212109032.db2.gz KDVHPPSWGGRIKI-UHFFFAOYSA-N 0 0 380.498 4.926 10 0 GJAERN CC1(C)CC(O)CC(C)(C)N1O[C@@H](COC(=O)c1ccccc1)c1ccccc1 ZINC000090711382 206299024 /nfs/dbraw/zinc/29/90/24/206299024.db2.gz KYZPPUJSGFFWEA-NRFANRHFSA-N 0 0 397.515 4.530 10 0 GJAERN Cc1nn(C)c(C)c1NC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000001024011 206342257 /nfs/dbraw/zinc/34/22/57/206342257.db2.gz GCECAYHZINWBHA-UHFFFAOYSA-N 0 0 397.866 4.587 10 0 GJAERN COc1cc(/C=C/C(=O)Nc2c(C)cccc2C)cc(Br)c1OC ZINC000001983644 206395723 /nfs/dbraw/zinc/39/57/23/206395723.db2.gz LAOIRFDSLQFKCR-CMDGGOBGSA-N 0 0 390.277 4.735 10 0 GJAERN COc1cc(/C=C/C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OC ZINC000001983883 206396492 /nfs/dbraw/zinc/39/64/92/206396492.db2.gz YVZQAEKNGVSLPX-FPYGCLRLSA-N 0 0 396.668 4.772 10 0 GJAERN CCn1c2ccccc2c2sc(C(=O)NCCc3ccc(C)cc3)cc2c1=O ZINC000006736908 206667755 /nfs/dbraw/zinc/66/77/55/206667755.db2.gz JKNDEFWMVOABLK-UHFFFAOYSA-N 0 0 390.508 4.517 10 0 GJAERN CN(C(=O)C[C@@H](c1cccs1)N1Cc2ccccc2C1=O)c1ccc(F)cc1 ZINC000015721222 207056260 /nfs/dbraw/zinc/05/62/60/207056260.db2.gz QMVPSVPMIYKXHJ-IBGZPJMESA-N 0 0 394.471 4.637 10 0 GJAERN O=C(NC1CCCCC1)c1cc(Cl)cc(Cl)c1I ZINC000016025640 207071831 /nfs/dbraw/zinc/07/18/31/207071831.db2.gz YBBSGQRXJIUSRD-UHFFFAOYSA-N 0 0 398.071 4.661 10 0 GJAERN O=S(=O)(Nc1cccc(Br)c1)c1cc(Cl)cc(Cl)c1 ZINC000020301976 207186850 /nfs/dbraw/zinc/18/68/50/207186850.db2.gz SADCCXWQGPUFOB-UHFFFAOYSA-N 0 0 381.078 4.557 10 0 GJAERN C[C@H](Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(Br)s1 ZINC000038002549 207250413 /nfs/dbraw/zinc/25/04/13/207250413.db2.gz QAIYPUSJNWRPNK-QMMMGPOBSA-N 0 0 394.743 4.741 10 0 GJAERN Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@@H](c4ccccc4)CC3)o2)s1 ZINC000023158641 207271251 /nfs/dbraw/zinc/27/12/51/207271251.db2.gz HZRKYUKPGYTBJG-GOSISDBHSA-N 0 0 395.528 4.835 10 0 GJAERN Cc1ccc(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c43)cc2)cc1F ZINC000035323403 207485336 /nfs/dbraw/zinc/48/53/36/207485336.db2.gz OJDNHAXBNCOFRF-UHFFFAOYSA-N 0 0 375.407 4.904 10 0 GJAERN O=C(c1ccc(F)cc1)N1CCC[C@@H](c2ccnc(Nc3ccc(F)cc3)n2)C1 ZINC000065148276 207838759 /nfs/dbraw/zinc/83/87/59/207838759.db2.gz CWCJMGIAYMYELD-MRXNPFEDSA-N 0 0 394.425 4.518 10 0 GJAERN COc1ccccc1CCNc1nc(-c2cccnc2)nc2sc(C)cc21 ZINC000072260813 207990748 /nfs/dbraw/zinc/99/07/48/207990748.db2.gz CFFBHXYWNLKLAD-UHFFFAOYSA-N 0 0 376.485 4.725 10 0 GJAERN Cc1oncc1C(=O)Nc1nn(-c2ccc(F)cc2)c2cccc(OC(C)C)c12 ZINC000072410202 208018711 /nfs/dbraw/zinc/01/87/11/208018711.db2.gz QECBBTZJKQJFII-UHFFFAOYSA-N 0 0 394.406 4.501 10 0 GJAERN CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ncc(C(F)(F)F)cc1Cl ZINC000095075272 208152523 /nfs/dbraw/zinc/15/25/23/208152523.db2.gz ALIJHDIXEAAFDG-LBPRGKRZSA-N 0 0 393.837 4.590 10 0 GJAERN O=C(NC1CCCCCC1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 ZINC000095598445 208238102 /nfs/dbraw/zinc/23/81/02/208238102.db2.gz CHCVHYYZXOYBSA-UHFFFAOYSA-N 0 0 375.900 4.537 10 0 GJAERN O=C1c2n[nH]c(-c3cccs3)c2[C@H](c2ccccc2Cl)N1c1nccs1 ZINC000096336154 208307742 /nfs/dbraw/zinc/30/77/42/208307742.db2.gz NZBTVVLMTMHNFH-INIZCTEOSA-N 0 0 398.900 4.998 10 0 GJAERN CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccccc2Cl)NC(=O)N1C ZINC000096336114 208308698 /nfs/dbraw/zinc/30/86/98/208308698.db2.gz PDZOCGNGGXDKBA-KRWDZBQOSA-N 0 0 390.270 4.602 10 0 GJAERN CC[C@@H]1c2c(nc(C)nc2SCC(=O)Nc2ccccc2OC)S[C@@H]1C ZINC000215966001 208820118 /nfs/dbraw/zinc/82/01/18/208820118.db2.gz ULVOCQIYXCUSRO-YPMHNXCESA-N 0 0 389.546 4.512 10 0 GJAERN O=C(CSc1nc(CCC2CCCC2)nc2ccccc21)NCc1ccco1 ZINC000004936767 220795218 /nfs/dbraw/zinc/79/52/18/220795218.db2.gz WYAYVUNMFBDYCY-UHFFFAOYSA-N 0 0 395.528 4.754 10 0 GJAERN CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cc(C)cc(C)c3)c2c1 ZINC000005656673 220890020 /nfs/dbraw/zinc/89/00/20/220890020.db2.gz WWUWNGSLRDCASE-UHFFFAOYSA-N 0 0 392.455 4.949 10 0 GJAERN CCOc1ccccc1C(=O)Nc1nnc(SCc2cccc(C)c2)s1 ZINC000008793942 221060478 /nfs/dbraw/zinc/06/04/78/221060478.db2.gz LUJGERHJEAVCDA-UHFFFAOYSA-N 0 0 385.514 4.790 10 0 GJAERN CC[C@@H](NC(=O)c1cc(COc2cc(C)c(Cl)c(C)c2)on1)c1ccncc1 ZINC000011665190 221120381 /nfs/dbraw/zinc/12/03/81/221120381.db2.gz LINYMUYRMXQSOQ-GOSISDBHSA-N 0 0 399.878 4.800 10 0 GJAERN CCN(Cc1nc(-c2ccc(OC)c3ccccc23)oc1C)C[C@@H]1CCCO1 ZINC000012702524 221219572 /nfs/dbraw/zinc/21/95/72/221219572.db2.gz UCWBUNSBENLPRJ-KRWDZBQOSA-N 0 0 380.488 4.813 10 0 GJAERN Cc1ccc(CNC(=O)CC[C@H]2CCCN(c3nc4ccccc4s3)C2)o1 ZINC000012717597 221221771 /nfs/dbraw/zinc/22/17/71/221221771.db2.gz RGNWQTDJHJJJLB-MRXNPFEDSA-N 0 0 383.517 4.511 10 0 GJAERN COc1cc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2nccs2)ccc1F ZINC000015075328 221330457 /nfs/dbraw/zinc/33/04/57/221330457.db2.gz IRNWDMXNVXBMGY-QFIPXVFZSA-N 0 0 393.487 4.920 10 0 GJAERN Cc1ccc(NC(=S)N(Cc2ccc3c(c2)OCO3)Cc2ccccn2)cc1 ZINC000017079975 221378436 /nfs/dbraw/zinc/37/84/36/221378436.db2.gz ALFPKEOXBWBNOO-UHFFFAOYSA-N 0 0 391.496 4.518 10 0 GJAERN COc1ccc(-c2cc(CN(C(=O)c3ccc(C)cc3)C(C)C)no2)c(OC)c1 ZINC000036001828 221837412 /nfs/dbraw/zinc/83/74/12/221837412.db2.gz PBBYZMWECPNFJZ-UHFFFAOYSA-N 0 0 394.471 4.718 10 0 GJAERN FC(F)(F)c1cccc2nc(-c3ccc(I)cc3)cn21 ZINC000039325702 221887508 /nfs/dbraw/zinc/88/75/08/221887508.db2.gz JGLKPSADNVRHKP-UHFFFAOYSA-N 0 0 388.130 4.625 10 0 GJAERN COc1ccccc1Oc1ncnc(Nc2ccc(Cl)cc2Cl)c1N ZINC000040783353 221931167 /nfs/dbraw/zinc/93/11/67/221931167.db2.gz ABDDWEHGNXFNPJ-UHFFFAOYSA-N 0 0 377.231 4.910 10 0 GJAERN C[C@H](NC(=O)C1(c2ccc(F)cc2)CCOCC1)c1ccc2ccccc2c1 ZINC000057185495 222030524 /nfs/dbraw/zinc/03/05/24/222030524.db2.gz BNELTUVZXDAIMU-KRWDZBQOSA-N 0 0 377.459 4.905 10 0 GJAERN COc1ccccc1NC(=O)CSc1cc(Oc2cc(C)cc(C)c2)ncn1 ZINC000057519708 222034493 /nfs/dbraw/zinc/03/44/93/222034493.db2.gz RSCKBNPGARYONW-UHFFFAOYSA-N 0 0 395.484 4.625 10 0 GJAERN Cc1ccc(Nc2nccc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)cc1 ZINC000065148096 222103559 /nfs/dbraw/zinc/10/35/59/222103559.db2.gz HPSYOZKXKRDHFB-SFHVURJKSA-N 0 0 390.462 4.688 10 0 GJAERN Cc1cccc(NC(=O)N2CCC[C@H](CCC(=O)N[C@H](C)c3ccccc3)C2)c1 ZINC000065136513 222104085 /nfs/dbraw/zinc/10/40/85/222104085.db2.gz SVLRRMDAYWKELV-WOJBJXKFSA-N 0 0 393.531 4.897 10 0 GJAERN Cc1ccc2c(c1)nc(-c1cnc(C3CC3)nc1)cc2C(=O)N1CCCC[C@@H]1C ZINC000063856582 222068495 /nfs/dbraw/zinc/06/84/95/222068495.db2.gz CXKADEHVNREHPE-INIZCTEOSA-N 0 0 386.499 4.892 10 0 GJAERN CSc1nc(Cl)cc(SC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000085333304 222324370 /nfs/dbraw/zinc/32/43/70/222324370.db2.gz PCTGGZQFCVFJFY-LLVKDONJSA-N 0 0 389.974 4.591 10 0 GJAERN Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc[n+]([O-])c12 ZINC000089219964 222328223 /nfs/dbraw/zinc/32/82/23/222328223.db2.gz NIYSJLLWAMUQNS-UHFFFAOYSA-N 0 0 391.474 4.818 10 0 GJAERN C[C@@H]1CCC[C@H](NC(=O)c2cc(Br)c(Br)s2)[C@@H]1C ZINC000095081884 222329472 /nfs/dbraw/zinc/32/94/72/222329472.db2.gz XLWWYJAZVIZZCY-MRTMQBJTSA-N 0 0 395.160 4.828 10 0 GJAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1Cn1c2ccccc2nc1C(F)(F)F ZINC000095086430 222330300 /nfs/dbraw/zinc/33/03/00/222330300.db2.gz REPBHCKPUIHIDL-CYBMUJFWSA-N 0 0 383.414 4.845 10 0 GJAERN CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000095084573 222330537 /nfs/dbraw/zinc/33/05/37/222330537.db2.gz GETGPUVZVPZYFK-LLVKDONJSA-N 0 0 380.794 4.532 10 0 GJAERN Cc1ccc(Nc2nc(Cl)c3c(n2)CCN(Cc2ccccc2)C3)c(F)c1 ZINC000057343725 525325833 /nfs/dbraw/zinc/32/58/33/525325833.db2.gz YCQKLWQSWNGDIZ-UHFFFAOYSA-N 0 0 382.870 4.879 10 0 GJAERN COc1ccccc1CN(Cc1cccnc1)C(=S)Nc1ccccc1F ZINC000020274843 570251170 /nfs/dbraw/zinc/25/11/70/570251170.db2.gz PDRKKYQRSCZGOP-UHFFFAOYSA-N 0 0 381.476 4.629 10 0 GJAERN Cc1ccc(Cl)cc1NC(=O)/C=C/c1c2c(ccc1Br)OCO2 ZINC000048545708 570251475 /nfs/dbraw/zinc/25/14/75/570251475.db2.gz OKGIBSYOZLTXRH-QPJJXVBHSA-N 0 0 394.652 4.792 10 0 GJAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cn1c(=O)sc2cccc(Cl)c21 ZINC000001318686 570260528 /nfs/dbraw/zinc/26/05/28/570260528.db2.gz YQFZIZDBDGZORF-NFAWXSAZSA-N 0 0 381.925 4.720 10 0 GJAERN O=C(Nc1ccccc1N1CCCN(Cc2ccc(F)cc2)C1=O)c1ccco1 ZINC000034734833 570326098 /nfs/dbraw/zinc/32/60/98/570326098.db2.gz JCFDOVFCNWQREA-UHFFFAOYSA-N 0 0 393.418 4.503 10 0 GJAERN COc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)c2ccc(F)cc2F)cc1OC ZINC000034793865 570336530 /nfs/dbraw/zinc/33/65/30/570336530.db2.gz HGXGCHSXPNGYFX-UHFFFAOYSA-N 0 0 399.397 4.502 10 0 GJAERN CC(=O)Nc1ccc(NC(=O)CCC(=O)OC2CCC(C(C)(C)C)CC2)cc1 ZINC000005481038 570441605 /nfs/dbraw/zinc/44/16/05/570441605.db2.gz YCWOQXGLJICRFY-UHFFFAOYSA-N 0 0 388.508 4.512 10 0 GJAERN Cc1cccc(-n2nc(C(C)C)c(C(=O)NCc3cccnc3)c2C(C)C)c1 ZINC000006708700 570545654 /nfs/dbraw/zinc/54/56/54/570545654.db2.gz ZVCMDZFILBEQIZ-UHFFFAOYSA-N 0 0 376.504 4.753 10 0 GJAERN CCC(=O)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C1CC1 ZINC000006712550 570547550 /nfs/dbraw/zinc/54/75/50/570547550.db2.gz ONMOIIRXHHJMCU-UHFFFAOYSA-N 0 0 399.922 4.559 10 0 GJAERN Cc1sc2c(ncn(C3CCCCC3)c2=O)c1C(=O)Nc1cccc(C)c1 ZINC000065297784 570787346 /nfs/dbraw/zinc/78/73/46/570787346.db2.gz WNGUSIHBRLOWOI-UHFFFAOYSA-N 0 0 381.501 4.832 10 0 GJAERN CC(C)(C)OC(=O)N1CC[C@](c2ccc(Br)cc2)(C(F)(F)F)C1 ZINC000675050851 570898318 /nfs/dbraw/zinc/89/83/18/570898318.db2.gz UWNQHAFLNVXIKM-HNNXBMFYSA-N 0 0 394.231 4.890 10 0 GJAERN CC[C@H]1c2c(nc(C)nc2SCC(=O)Nc2cccc(F)c2)S[C@H]1C ZINC000215966346 222575115 /nfs/dbraw/zinc/57/51/15/222575115.db2.gz BYJDBSHFMXYLNU-IINYFYTJSA-N 0 0 377.510 4.643 10 0 GJAERN