smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Nc2cc(C)nc(Nc3ccc(C)cc3C)n2)c(C)c1 ZINC000000031382 205398372 /nfs/dbraw/zinc/39/83/72/205398372.db2.gz HVGPIHTZBICXBS-UHFFFAOYSA-N 0 0 332.451 5.506 40 0 EKABRN Nc1ccc(Oc2ccc(C3CCCCC3)cc2)c(C(F)(F)F)c1 ZINC000000032435 563964193 /nfs/dbraw/zinc/96/41/93/563964193.db2.gz QYHHGXHCMUMLFR-UHFFFAOYSA-N 0 0 335.369 6.128 40 0 EKABRN O=c1c(O)c(-c2ccc(F)c(Oc3ccccc3)c2)oc2ccccc12 ZINC000000032933 563964173 /nfs/dbraw/zinc/96/41/73/563964173.db2.gz VEMBTCCVVHCOMC-UHFFFAOYSA-N 0 0 348.329 5.097 40 0 EKABRN CSc1nc2cc(Oc3ccc4ccccc4c3)c(Cl)cc2[nH]1 ZINC000000033501 208552031 /nfs/dbraw/zinc/55/20/31/208552031.db2.gz CXAMQNQDJFZVFJ-UHFFFAOYSA-N 0 0 340.835 5.884 40 0 EKABRN CO[C@](C)(OCCn1c2ccccc2c2ccccc21)c1ccccc1 ZINC000000033851 563964190 /nfs/dbraw/zinc/96/41/90/563964190.db2.gz HEIRWBBXJSKKSH-HSZRJFAPSA-N 0 0 345.442 5.330 40 0 EKABRN COc1c(Cl)cc(C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl ZINC000000034075 563964176 /nfs/dbraw/zinc/96/41/76/563964176.db2.gz UGOOLHBHHMVYSB-UHFFFAOYSA-N 0 0 344.625 5.216 40 0 EKABRN COc1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)o1 ZINC000000034671 201424324 /nfs/dbraw/zinc/42/43/24/201424324.db2.gz HVGFNDNPDVFYSE-UHFFFAOYSA-N 0 0 328.371 5.079 40 0 EKABRN O=C(c1ccccc1)c1ccccc1OCc1nc2ccccc2s1 ZINC000000035284 563964212 /nfs/dbraw/zinc/96/42/12/563964212.db2.gz BZYREEXUWLGWMH-UHFFFAOYSA-N 0 0 345.423 5.106 40 0 EKABRN Cc1c2ccccc2[nH]c1-c1ccccc1OC(=O)c1ccccc1 ZINC000000035285 563964230 /nfs/dbraw/zinc/96/42/30/563964230.db2.gz RRCAMRVMCILINC-UHFFFAOYSA-N 0 0 327.383 5.363 40 0 EKABRN c1ccc(-c2nc(-c3nc4ccccc4[nH]3)[nH]c2-c2ccccc2)cc1 ZINC000000035325 208553206 /nfs/dbraw/zinc/55/32/06/208553206.db2.gz NPZTYVJNFQTBOD-UHFFFAOYSA-N 0 0 336.398 5.287 40 0 EKABRN COc1ccc2c(c1)Cc1sc(Nc3cccc4ccccc43)nc1-2 ZINC000000038034 564012263 /nfs/dbraw/zinc/01/22/63/564012263.db2.gz SJYCRFZPWRCTCI-UHFFFAOYSA-N 0 0 344.439 5.620 40 0 EKABRN Cc1c(OCc2cccc3ccccc32)ccc2c1OC(C)(C)CC2=O ZINC000000038344 563964093 /nfs/dbraw/zinc/96/40/93/563964093.db2.gz WRJQEUFPUBRQAW-UHFFFAOYSA-N 0 0 346.426 5.471 40 0 EKABRN CCSc1nnc(-c2cccc3ccccc32)n1-c1ccccc1 ZINC000000046841 209388813 /nfs/dbraw/zinc/38/88/13/209388813.db2.gz YSOPSLSUZJHSQG-UHFFFAOYSA-N 0 0 331.444 5.200 40 0 EKABRN CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000000047445 206210587 /nfs/dbraw/zinc/21/05/87/206210587.db2.gz ZCFZUYRDEYZQOG-UHFFFAOYSA-N 0 0 345.442 5.030 40 0 EKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000000063999 209397293 /nfs/dbraw/zinc/39/72/93/209397293.db2.gz VYMBODDXFPRFGH-RMKNXTFCSA-N 0 0 325.717 5.011 40 0 EKABRN Brc1ccc(Sc2ccc(Br)cc2)cc1 ZINC000000075289 563996560 /nfs/dbraw/zinc/99/65/60/563996560.db2.gz CLPVCAXOQZIJGW-UHFFFAOYSA-N 0 0 344.071 5.363 40 0 EKABRN CC1=Nc2ccc3ccccc3c2C(C(F)(F)F)(C(F)(F)F)O1 ZINC000000091207 209414334 /nfs/dbraw/zinc/41/43/34/209414334.db2.gz YLJQHQCPZUZTNT-UHFFFAOYSA-N 0 0 333.231 5.240 40 0 EKABRN Cc1sc(NC(=O)c2ccc(C)c(C)c2)nc1-c1ccc(C)cc1 ZINC000000098211 201434056 /nfs/dbraw/zinc/43/40/56/201434056.db2.gz DFGMXTVBSISNBL-UHFFFAOYSA-N 0 0 336.460 5.296 40 0 EKABRN Cc1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2n1CCC2 ZINC000000099969 563970566 /nfs/dbraw/zinc/97/05/66/563970566.db2.gz JMTLUZLFFASTST-UHFFFAOYSA-N 0 0 326.484 5.105 40 0 EKABRN CCOC(=O)Nc1cccc2ccc(-c3cnc4ccccc4c3)nc21 ZINC000000111716 563981083 /nfs/dbraw/zinc/98/10/83/563981083.db2.gz XOJUVBIRXVJCFN-UHFFFAOYSA-N 0 0 343.386 5.018 40 0 EKABRN CC(C)c1ccc(NC(=O)/C(Br)=C/c2ccccc2)cc1 ZINC000000113611 209429298 /nfs/dbraw/zinc/42/92/98/209429298.db2.gz VSANYNOXTCZDKE-ATVHPVEESA-N 0 0 344.252 5.185 40 0 EKABRN CCC[C@@H](Nc1cc(Cl)cc(Cl)c1)n1nnc2ccccc21 ZINC000000114606 563983629 /nfs/dbraw/zinc/98/36/29/563983629.db2.gz VICQFCQZTYSEIL-INIZCTEOSA-N 0 0 335.238 5.149 40 0 EKABRN CCC[C@H](Nc1cc(Cl)cc(Cl)c1)n1nnc2ccccc21 ZINC000000114610 563983652 /nfs/dbraw/zinc/98/36/52/563983652.db2.gz VICQFCQZTYSEIL-MRXNPFEDSA-N 0 0 335.238 5.149 40 0 EKABRN Cc1ccc(NC(=O)c2ccc(CSc3ccccn3)cc2)c(C)c1 ZINC000000115772 563983857 /nfs/dbraw/zinc/98/38/57/563983857.db2.gz PCBCXRZRSNLRIJ-UHFFFAOYSA-N 0 0 348.471 5.243 40 0 EKABRN Cc1ccc(OC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1C ZINC000000118379 564065370 /nfs/dbraw/zinc/06/53/70/564065370.db2.gz HUARECSGEGXKNC-UHFFFAOYSA-N 0 0 329.610 5.483 40 0 EKABRN Cc1cc(C)c(NC(=O)c2c(Cl)ccc(Cl)c2Cl)c(C)c1 ZINC000000121175 563234204 /nfs/dbraw/zinc/23/42/04/563234204.db2.gz VRFAXRRBSPQXMJ-UHFFFAOYSA-N 0 0 342.653 5.824 40 0 EKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1nc(-c2ccccc2)cs1 ZINC000000134567 563986980 /nfs/dbraw/zinc/98/69/80/563986980.db2.gz SSFZGLLINOZQNI-DHZHZOJOSA-N 0 0 340.835 5.115 40 0 EKABRN COc1cccc(Oc2nnc(-c3ccccc3)c3ccccc32)c1 ZINC000000137271 563240735 /nfs/dbraw/zinc/24/07/35/563240735.db2.gz MLQLEGJPAPMIAW-UHFFFAOYSA-N 0 0 328.371 5.098 40 0 EKABRN CCc1cccc(CC)c1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000000145184 564065401 /nfs/dbraw/zinc/06/54/01/564065401.db2.gz UMPCHNMVPGOTGQ-UHFFFAOYSA-N 0 0 339.479 5.126 40 0 EKABRN Cc1cc(C)c(NC(=O)/C=C/c2c(Cl)cccc2Cl)c(C)c1 ZINC000000146045 564065408 /nfs/dbraw/zinc/06/54/08/564065408.db2.gz ZKWKIPLYRXDONO-BQYQJAHWSA-N 0 0 334.246 5.571 40 0 EKABRN Cc1c(Cl)cccc1NC(=O)/C=C/c1c(Cl)cccc1Cl ZINC000000147125 563987139 /nfs/dbraw/zinc/98/71/39/563987139.db2.gz FVDKYRCCPRJNNB-CMDGGOBGSA-N 0 0 340.637 5.607 40 0 EKABRN Cc1cc(Cl)ccc1NC(=O)/C=C/c1c(Cl)cccc1Cl ZINC000000147134 564065418 /nfs/dbraw/zinc/06/54/18/564065418.db2.gz VWZQCJQCZGNQRI-SOFGYWHQSA-N 0 0 340.637 5.607 40 0 EKABRN COc1ccccc1/C=C/C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000000149621 563987319 /nfs/dbraw/zinc/98/73/19/563987319.db2.gz RUHOOZMSJSZDQR-BUHFOSPRSA-N 0 0 337.463 5.594 40 0 EKABRN Cc1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3Cl)cn21 ZINC000000151506 564065400 /nfs/dbraw/zinc/06/54/00/564065400.db2.gz PHEWEOYGNWTTQM-UHFFFAOYSA-N 0 0 333.243 5.831 40 0 EKABRN COc1ccc2c(c1)sc1nc(-c3ccc4c(c3)CCCC4)cn21 ZINC000000151519 209455355 /nfs/dbraw/zinc/45/53/55/209455355.db2.gz POBOQEDBESUROG-UHFFFAOYSA-N 0 0 334.444 5.103 40 0 EKABRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)c1ccc2ccccc2c1 ZINC000000157669 563248070 /nfs/dbraw/zinc/24/80/70/563248070.db2.gz BIOXMSMTTAVQBJ-UHFFFAOYSA-N 0 0 346.817 5.218 40 0 EKABRN Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(F)cc3)o2)cc1 ZINC000000192290 563988165 /nfs/dbraw/zinc/98/81/65/563988165.db2.gz NPEFANBUWPNKHO-UHFFFAOYSA-N 0 0 333.337 5.954 40 0 EKABRN Clc1cccc(Nc2nc(-c3cccc4ccccc43)cs2)c1 ZINC000000206554 563259823 /nfs/dbraw/zinc/25/98/23/563259823.db2.gz NYIAPDNZLKYVCG-UHFFFAOYSA-N 0 0 336.847 6.360 40 0 EKABRN Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc2ccccc2c1 ZINC000000219230 563996625 /nfs/dbraw/zinc/99/66/25/563996625.db2.gz PCXJUXAJZGKYQK-UHFFFAOYSA-N 0 0 327.383 5.661 40 0 aggregator EKABRN O=C(Nc1cccc2ccccc21)N(c1ccccc1)c1ccccc1 ZINC000000220677 209493319 /nfs/dbraw/zinc/49/33/19/209493319.db2.gz XRAPDLHFGPTBQZ-UHFFFAOYSA-N 0 0 338.410 6.210 40 0 EKABRN Cc1cccc(C)c1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000000238166 563996637 /nfs/dbraw/zinc/99/66/37/563996637.db2.gz CMUZBYUOKDYBAU-UHFFFAOYSA-N 0 0 331.415 5.135 40 0 EKABRN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1ccccc1 ZINC000000238370 209499468 /nfs/dbraw/zinc/49/94/68/209499468.db2.gz XKYDTTGNCFMGSZ-UHFFFAOYSA-N 0 0 338.410 5.463 40 0 EKABRN O=C(Nc1ccccc1F)OCC1c2ccccc2-c2ccccc21 ZINC000000238793 563996638 /nfs/dbraw/zinc/99/66/38/563996638.db2.gz VBHKSOZRYAEVJB-UHFFFAOYSA-N 0 0 333.362 5.187 40 0 EKABRN CCOc1ccc(NC(=O)c2cc(CC(C)C)nc3ccccc32)cc1 ZINC000000241329 205426967 /nfs/dbraw/zinc/42/69/67/205426967.db2.gz GNCICPZAUMGREG-UHFFFAOYSA-N 0 0 348.446 5.084 40 0 EKABRN Cc1ccc(NC(=O)c2cc(CC(C)C)nc3ccccc32)c(C)c1 ZINC000000241339 563996682 /nfs/dbraw/zinc/99/66/82/563996682.db2.gz YEMLIEPPACBKMX-UHFFFAOYSA-N 0 0 332.447 5.302 40 0 EKABRN O=C(Nc1ccccc1)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000000241345 563996658 /nfs/dbraw/zinc/99/66/58/563996658.db2.gz DOBVMLGBQWNSKR-UHFFFAOYSA-N 0 0 342.373 5.293 40 0 EKABRN Cc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000250217 563266817 /nfs/dbraw/zinc/26/68/17/563266817.db2.gz PTWFQLUPPGIDEL-UHFFFAOYSA-N 0 0 338.410 5.463 40 0 EKABRN O=C(Nc1ccccc1-c1ccccc1)c1ccc(Cl)cc1Cl ZINC000000250380 563266767 /nfs/dbraw/zinc/26/67/67/563266767.db2.gz XFPHTKLRDZFVSU-UHFFFAOYSA-N 0 0 342.225 5.913 40 0 EKABRN Cc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc(F)cc1 ZINC000000260345 563996705 /nfs/dbraw/zinc/99/67/05/563996705.db2.gz KDYBSWLNWNGADI-UHFFFAOYSA-N 0 0 346.814 5.163 40 0 EKABRN Cc1sc(NC(=O)c2cccs2)nc1-c1ccc(C)cc1C ZINC000000260383 563996708 /nfs/dbraw/zinc/99/67/08/563996708.db2.gz ZEOWTLNUQYEIFE-UHFFFAOYSA-N 0 0 328.462 5.049 40 0 EKABRN Cc1sc(NC(=O)c2cccs2)nc1-c1cc(C)ccc1C ZINC000000260402 563996707 /nfs/dbraw/zinc/99/67/07/563996707.db2.gz SRJKYDLXWHIROY-UHFFFAOYSA-N 0 0 328.462 5.049 40 0 EKABRN Cc1sc(NC(=O)c2cccs2)nc1-c1ccc(C)c(C)c1 ZINC000000260417 563996697 /nfs/dbraw/zinc/99/66/97/563996697.db2.gz ASBAJXGXMFBRCY-UHFFFAOYSA-N 0 0 328.462 5.049 40 0 EKABRN CCCc1sc(NC(=O)c2ccco2)nc1-c1ccc(C)cc1C ZINC000000260425 209506579 /nfs/dbraw/zinc/50/65/79/209506579.db2.gz KPNFUSRUWSYTDV-UHFFFAOYSA-N 0 0 340.448 5.225 40 0 EKABRN Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1C ZINC000000262159 563996713 /nfs/dbraw/zinc/99/67/13/563996713.db2.gz YDKFKCOGLKIBQT-UHFFFAOYSA-N 0 0 342.398 5.364 40 0 EKABRN CCOc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1Cl ZINC000000262177 563996694 /nfs/dbraw/zinc/99/66/94/563996694.db2.gz QUVOIUNTHBKFTD-UHFFFAOYSA-N 0 0 325.795 5.144 40 0 EKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2c(c1)oc1ccccc12 ZINC000000262356 563996702 /nfs/dbraw/zinc/99/67/02/563996702.db2.gz IDPPQNIJFLMUSW-KPKJPENVSA-N 0 0 347.801 5.891 40 0 EKABRN O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccccc1 ZINC000000271367 563996663 /nfs/dbraw/zinc/99/66/63/563996663.db2.gz QRQOSMYBXRESGR-UHFFFAOYSA-N 0 0 348.789 5.401 40 0 EKABRN O=C(Nc1ccc2ccccc2c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000272968 563270000 /nfs/dbraw/zinc/27/00/00/563270000.db2.gz CRKXLONINJOFTP-UHFFFAOYSA-N 0 0 347.801 6.006 40 0 EKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc2ccccc2c1 ZINC000000272971 563996687 /nfs/dbraw/zinc/99/66/87/563996687.db2.gz DHVBZEQVPOEMCC-UHFFFAOYSA-N 0 0 327.383 5.254 40 0 EKABRN O=C(Oc1cccc2cccnc21)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000273380 563996669 /nfs/dbraw/zinc/99/66/69/563996669.db2.gz CFIKDVIWNPMHLW-UHFFFAOYSA-N 0 0 349.773 5.367 40 0 EKABRN Oc1ccc(-c2nc(-c3cccc(Cl)c3)[nH]c2-c2ccccc2)cc1 ZINC000000274400 563996692 /nfs/dbraw/zinc/99/66/92/563996692.db2.gz MVXGYZUOJLMPAY-UHFFFAOYSA-N 0 0 346.817 5.770 40 0 EKABRN COc1ccc(-c2nc(Nc3ccccc3Cl)sc2C)cc1 ZINC000000274504 563996662 /nfs/dbraw/zinc/99/66/62/563996662.db2.gz MHLOXWHJJJJYHL-UHFFFAOYSA-N 0 0 330.840 5.524 40 0 EKABRN CCCc1sc(Nc2ccc(OC)cc2)nc1-c1ccc(C)cc1 ZINC000000274522 563996686 /nfs/dbraw/zinc/99/66/86/563996686.db2.gz BRJVOAFCWFFYNC-UHFFFAOYSA-N 0 0 338.476 5.823 40 0 EKABRN Cc1ccc2nc(NC(=O)c3ccc4c5c(cccc53)CC4)sc2c1 ZINC000000277376 563996659 /nfs/dbraw/zinc/99/66/59/563996659.db2.gz QHICBUBLQYWCKY-UHFFFAOYSA-N 0 0 344.439 5.109 40 0 EKABRN COc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000000281301 563996688 /nfs/dbraw/zinc/99/66/88/563996688.db2.gz LQAZQADHWLWEBV-UHFFFAOYSA-N 0 0 332.428 5.716 40 0 EKABRN Cc1ccccc1NC(=O)c1cccc2c(Br)cccc12 ZINC000000284010 209517764 /nfs/dbraw/zinc/51/77/64/209517764.db2.gz QBOAACIGNBWJQS-UHFFFAOYSA-N 0 0 340.220 5.163 40 0 EKABRN Cc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 ZINC000000284014 563996671 /nfs/dbraw/zinc/99/66/71/563996671.db2.gz DZXYNMAOBBNXRO-UHFFFAOYSA-N 0 0 340.220 5.163 40 0 EKABRN Cc1sc2ncnc(SCc3c(F)cccc3Cl)c2c1C ZINC000000303193 563996731 /nfs/dbraw/zinc/99/67/31/563996731.db2.gz VHWGDWRRSZKPOY-UHFFFAOYSA-N 0 0 338.860 5.393 40 0 EKABRN CCOc1ccc(-c2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000000303210 563996740 /nfs/dbraw/zinc/99/67/40/563996740.db2.gz GACBVWMTKFVVSB-UHFFFAOYSA-N 0 0 341.414 5.000 40 0 EKABRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000000305163 563996756 /nfs/dbraw/zinc/99/67/56/563996756.db2.gz NHEWXUBIXQTXGN-UHFFFAOYSA-N 0 0 337.806 5.171 40 0 EKABRN 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O=C(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccncc1 ZINC000004707033 210255411 /nfs/dbraw/zinc/25/54/11/210255411.db2.gz PIHPOQFALSHSON-UHFFFAOYSA-N 0 0 349.433 5.299 40 0 EKABRN CN(C)c1ccc([C@H]2C=C(c3ccccc3)Oc3ccccc32)cc1 ZINC000004707261 210254640 /nfs/dbraw/zinc/25/46/40/210254640.db2.gz KNYFYRPVGUJRFK-OAQYLSRUSA-N 0 0 327.427 5.318 40 0 EKABRN Cc1ccc(C)c(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000004708513 210254708 /nfs/dbraw/zinc/25/47/08/210254708.db2.gz YEQLXUIIVGICSW-UHFFFAOYSA-N 0 0 325.264 5.419 40 0 EKABRN O=C1OC(c2cccc3ccccc32)=N/C1=C/c1ccc2ccccc2c1 ZINC000004712914 210255979 /nfs/dbraw/zinc/25/59/79/210255979.db2.gz FWLRXGAXJGOFRJ-PXLXIMEGSA-N 0 0 349.389 5.338 40 0 EKABRN Cc1ccc([C@H](C)c2cc(C)c([C@@H](C)c3ccc(C)nc3)cc2C)cn1 ZINC000004713631 210256035 /nfs/dbraw/zinc/25/60/35/210256035.db2.gz MDBJKYLUAVXIGT-PMACEKPBSA-N 0 0 344.502 6.014 40 0 EKABRN Cc1cc(C(c2ccc(O)cc2)c2cc(C)c(O)cc2C)c(C)cc1O ZINC000004714380 518186729 /nfs/dbraw/zinc/18/67/29/518186729.db2.gz PFYOKZAFMIWTQL-UHFFFAOYSA-N 0 0 348.442 5.217 40 0 EKABRN CC(C)Cc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 ZINC000004719669 201614262 /nfs/dbraw/zinc/61/42/62/201614262.db2.gz UCRDAGGCYLFMLG-UHFFFAOYSA-N 0 0 342.895 6.406 40 0 EKABRN COc1cc(C)c(C(O)(c2ccccc2)c2ccccc2)cc1C(C)C ZINC000004720801 210259957 /nfs/dbraw/zinc/25/99/57/210259957.db2.gz SSYODKSOPGWBTH-UHFFFAOYSA-N 0 0 346.470 5.411 40 0 EKABRN CCCCNC(=O)[C@H](CCCC)C(CCC)(CCC)CCCC ZINC000004721979 568414701 /nfs/dbraw/zinc/41/47/01/568414701.db2.gz AMXFHTHLFMHPQX-IBGZPJMESA-N 0 0 325.581 6.486 40 0 EKABRN Fc1ccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000004725700 210261082 /nfs/dbraw/zinc/26/10/82/210261082.db2.gz JWKKQPYDMQNSOC-UDFXALJUSA-N 0 0 342.417 5.847 40 0 EKABRN Fc1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000004725701 201614595 /nfs/dbraw/zinc/61/45/95/201614595.db2.gz JWKKQPYDMQNSOC-RBNVVWFDSA-N 0 0 342.417 5.847 40 0 EKABRN O=C(O[C@H]1CCCC[C@@H]1C1CCCCC1)C(Cl)(Cl)Cl ZINC000004726144 210261821 /nfs/dbraw/zinc/26/18/21/210261821.db2.gz NBNJNFUHTVVPMM-NEPJUHHUSA-N 0 0 327.679 5.039 40 0 EKABRN O=C(C1=NNC[C@H]1c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000004726298 210261011 /nfs/dbraw/zinc/26/10/11/210261011.db2.gz DAQAQXWQXZLCOB-LEWJYISDSA-N 0 0 326.399 5.155 40 0 EKABRN O=C(C1=NNC[C@@H]1c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000004726299 210261097 /nfs/dbraw/zinc/26/10/97/210261097.db2.gz DAQAQXWQXZLCOB-NHCUHLMSSA-N 0 0 326.399 5.155 40 0 EKABRN O=C(C1=NNC[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000004726301 210261005 /nfs/dbraw/zinc/26/10/05/210261005.db2.gz ZVLZBNRHKZUUOD-SFTDATJTSA-N 0 0 326.399 5.155 40 0 EKABRN O=C(C1=NNC[C@@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000004726303 210261341 /nfs/dbraw/zinc/26/13/41/210261341.db2.gz ZVLZBNRHKZUUOD-RTWAWAEBSA-N 0 0 326.399 5.155 40 0 EKABRN Cc1ccc(-c2cc(-c3ccccc3)[s+]c3ccc(C)cc32)cc1 ZINC000004726304 563509331 /nfs/dbraw/zinc/50/93/31/563509331.db2.gz XRFYYZPOSATADW-UHFFFAOYSA-N 0 0 327.472 7.133 40 0 EKABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](C5CCCC5)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000004727167 210261492 /nfs/dbraw/zinc/26/14/92/210261492.db2.gz RBCMLWGBXWRMNN-OPKHLUCYSA-N 0 0 344.583 6.196 40 0 in-vitro EKABRN Cc1cc2c(c(=O)o1)[C@H](c1ccc(F)cc1)Sc1ccccc1N2 ZINC000004747373 210269563 /nfs/dbraw/zinc/26/95/63/210269563.db2.gz XSXKSSNTTTUTRC-SFHVURJKSA-N 0 0 339.391 5.026 40 0 EKABRN Cc1cc2c(c(=O)o1)[C@@H](c1ccc(F)cc1)Sc1ccccc1N2 ZINC000004747375 201616145 /nfs/dbraw/zinc/61/61/45/201616145.db2.gz XSXKSSNTTTUTRC-GOSISDBHSA-N 0 0 339.391 5.026 40 0 EKABRN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(Cl)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004748312 210269356 /nfs/dbraw/zinc/26/93/56/210269356.db2.gz FSOVIIOJSZNYCD-PXQJOHHUSA-N 0 0 348.914 5.614 40 0 EKABRN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=C(C)C[C@]4(C)[C@H]3CC[C@]12C ZINC000004759031 210272255 /nfs/dbraw/zinc/27/22/55/210272255.db2.gz BNUOBHYLRSENSB-BHXFFAOXSA-N 0 0 330.512 5.517 40 0 in-vitro EKABRN OC(c1ccccc1)(c1ccccc1)c1ccccc1-c1ccccc1 ZINC000004768953 210274404 /nfs/dbraw/zinc/27/44/04/210274404.db2.gz XXFFNQQXIZQCOA-UHFFFAOYSA-N 0 0 336.434 5.638 40 0 EKABRN Oc1ccc(C2c3ccccc3Oc3ccccc32)c2cccnc12 ZINC000004769085 210273795 /nfs/dbraw/zinc/27/37/95/210273795.db2.gz NPKQVSMGLRUXGZ-UHFFFAOYSA-N 0 0 325.367 5.226 40 0 EKABRN COc1ccc(OC)c([C@H]2O[C@H]3CCCC[C@@H]3c3sc(C)cc32)c1 ZINC000004770138 210274653 /nfs/dbraw/zinc/27/46/53/210274653.db2.gz HOBBDLHPRHUDAZ-ZOCIIQOWSA-N 0 0 344.476 5.220 40 0 EKABRN COc1ccc(OC)c([C@H]2O[C@@H]3CCCC[C@@H]3c3sc(C)cc32)c1 ZINC000004770140 210274282 /nfs/dbraw/zinc/27/42/82/210274282.db2.gz HOBBDLHPRHUDAZ-GDIGMMSISA-N 0 0 344.476 5.220 40 0 EKABRN CCCCOc1ccc(/C=C/C(=O)OC[C@H](CC)CCCC)cc1 ZINC000004775045 210275526 /nfs/dbraw/zinc/27/55/26/210275526.db2.gz NWSWTXGGTKZDFO-NKAIQICCSA-N 0 0 332.484 5.638 40 0 EKABRN CCCCOc1ccc(/C=C/C(=O)OC[C@@H](CC)CCCC)cc1 ZINC000004775046 210276132 /nfs/dbraw/zinc/27/61/32/210276132.db2.gz NWSWTXGGTKZDFO-XOVFHRFOSA-N 0 0 332.484 5.638 40 0 EKABRN CCCCCCC(=O)OC[C@H](CCCCC)[C@@H](O)CCCCCC ZINC000004775047 210275612 /nfs/dbraw/zinc/27/56/12/210275612.db2.gz HSGDEAZAEPDKAI-PMACEKPBSA-N 0 0 342.564 6.028 40 0 EKABRN CCCCCCC(=O)OC[C@H](CCCCC)[C@H](O)CCCCCC ZINC000004775048 210275502 /nfs/dbraw/zinc/27/55/02/210275502.db2.gz HSGDEAZAEPDKAI-VQTJNVASSA-N 0 0 342.564 6.028 40 0 EKABRN CCCCCCC(=O)OC[C@@H](CCCCC)[C@@H](O)CCCCCC ZINC000004775049 210275460 /nfs/dbraw/zinc/27/54/60/210275460.db2.gz HSGDEAZAEPDKAI-UXHICEINSA-N 0 0 342.564 6.028 40 0 EKABRN CCCCCCC(=O)OC[C@@H](CCCCC)[C@H](O)CCCCCC ZINC000004775050 563510708 /nfs/dbraw/zinc/51/07/08/563510708.db2.gz HSGDEAZAEPDKAI-WOJBJXKFSA-N 0 0 342.564 6.028 40 0 EKABRN CCCC[C@@H](CC)COC(=O)/C=C/c1ccc(OCCC(C)C)cc1 ZINC000004775053 201617345 /nfs/dbraw/zinc/61/73/45/201617345.db2.gz IFOXCRJNHMWYCU-FIIODCPWSA-N 0 0 346.511 5.884 40 0 EKABRN CCCC[C@H](CC)COC(=O)/C=C/c1ccc(OCCC(C)C)cc1 ZINC000004775054 210276147 /nfs/dbraw/zinc/27/61/47/210276147.db2.gz IFOXCRJNHMWYCU-VUVZNRFTSA-N 0 0 346.511 5.884 40 0 EKABRN O=C1c2ccc(cc2)CCCCCCCCCCCc2ccc1cc2 ZINC000004787948 563511288 /nfs/dbraw/zinc/51/12/88/563511288.db2.gz CIKYUZXTZBROFU-UHFFFAOYSA-N 0 0 334.503 6.527 40 0 EKABRN C[C@@H](C/C=C(\[C@@H](C)CC(C)(C)C)C1SCCS1)CC(C)(C)C ZINC000004792404 210279005 /nfs/dbraw/zinc/27/90/05/210279005.db2.gz ZGQRHXAWTWNZJQ-GSEUPMHVSA-N 0 0 342.658 7.254 40 0 EKABRN C[C@H](C/C=C(\[C@@H](C)CC(C)(C)C)C1SCCS1)CC(C)(C)C ZINC000004792405 201619520 /nfs/dbraw/zinc/61/95/20/201619520.db2.gz ZGQRHXAWTWNZJQ-JWYZISKASA-N 0 0 342.658 7.254 40 0 EKABRN CCOC1=CC2=CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000004804982 210281348 /nfs/dbraw/zinc/28/13/48/210281348.db2.gz LOCMUFRTSWBCQZ-GUCLMQHLSA-N 0 0 330.512 5.231 40 0 EKABRN Clc1ccc(/C=C2\c3ccccc3-c3nc4ccccc4cc32)cc1 ZINC000004822343 210287341 /nfs/dbraw/zinc/28/73/41/210287341.db2.gz SEFWEPCFYADDCN-DEDYPNTBSA-N 0 0 339.825 6.458 40 0 EKABRN C1C[C@H]2C[C@@H]1[C@H]1SC(=C3S[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4S3)S[C@@H]12 ZINC000004828091 564013880 /nfs/dbraw/zinc/01/38/80/564013880.db2.gz AXKZAQWXUQRLEU-VNICOLFOSA-N 0 0 340.604 5.407 40 0 EKABRN Cc1cccc(NC(=O)C2C(c3ccccc3)=C2c2ccccc2)c1 ZINC000004831879 210290079 /nfs/dbraw/zinc/29/00/79/210290079.db2.gz JGJHLICNMIKVHD-UHFFFAOYSA-N 0 0 325.411 5.174 40 0 EKABRN CC1=CC[C@H]([C@]2(C)CC[C@@H]3[C@@H](O2)c2ccccc2OC3(C)C)CC1 ZINC000004832271 210291020 /nfs/dbraw/zinc/29/10/20/210291020.db2.gz WNJQFPUJKIPERU-UPSSIMKTSA-N 0 0 326.480 5.830 40 0 EKABRN CC1=CC[C@@H]([C@]2(C)CC[C@@H]3[C@@H](O2)c2ccccc2OC3(C)C)CC1 ZINC000004832273 210290643 /nfs/dbraw/zinc/29/06/43/210290643.db2.gz WNJQFPUJKIPERU-MDRHQERFSA-N 0 0 326.480 5.830 40 0 EKABRN CC1=CC[C@H]([C@@]2(C)CC[C@@H]3[C@@H](O2)c2ccccc2OC3(C)C)CC1 ZINC000004832274 210290217 /nfs/dbraw/zinc/29/02/17/210290217.db2.gz WNJQFPUJKIPERU-PBNJOUANSA-N 0 0 326.480 5.830 40 0 EKABRN CC1=CC[C@@H]([C@@]2(C)CC[C@@H]3[C@@H](O2)c2ccccc2OC3(C)C)CC1 ZINC000004832275 210290742 /nfs/dbraw/zinc/29/07/42/210290742.db2.gz WNJQFPUJKIPERU-UYKQMDHISA-N 0 0 326.480 5.830 40 0 EKABRN O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1ccccc1Cl ZINC000004833208 210292229 /nfs/dbraw/zinc/29/22/29/210292229.db2.gz WJRBQKBGQNHCOH-UHFFFAOYSA-N 0 0 342.225 5.913 40 0 EKABRN O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1cccc(Cl)c1 ZINC000004833209 205723125 /nfs/dbraw/zinc/72/31/25/205723125.db2.gz TWEOGXLXSFAKIA-UHFFFAOYSA-N 0 0 342.225 5.913 40 0 EKABRN Cc1nnc(SCc2cccc3ccccc32)n1-c1ccc(C)cc1 ZINC000004835861 257868277 /nfs/dbraw/zinc/86/82/77/257868277.db2.gz QYNJLRSBNKGPKE-UHFFFAOYSA-N 0 0 345.471 5.330 40 0 EKABRN S=c1sc2c(s1)S[C@H]1[C@@H](C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@H]31)S2 ZINC000004838498 564005327 /nfs/dbraw/zinc/00/53/27/564005327.db2.gz YJEUJNZJEIHEBL-AFNXEJLXSA-N 0 0 328.574 5.316 40 0 EKABRN S=c1sc2c(s1)S[C@H]1[C@@H](C[C@@H]3[C@H]4C=C[C@H](C4)[C@H]31)S2 ZINC000004838499 210293865 /nfs/dbraw/zinc/29/38/65/210293865.db2.gz YJEUJNZJEIHEBL-LIKBTPFBSA-N 0 0 328.574 5.316 40 0 EKABRN CCSc1nc(C2CC2)nc2sc3c(c21)CC[C@@H](C(C)(C)C)C3 ZINC000004847504 210299742 /nfs/dbraw/zinc/29/97/42/210299742.db2.gz KNGYUHUABZHXAM-GFCCVEGCSA-N 0 0 346.565 5.832 40 0 EKABRN CCSc1nc(C2CC2)nc2sc3c(c21)CC[C@H](C(C)(C)C)C3 ZINC000004847505 210299535 /nfs/dbraw/zinc/29/95/35/210299535.db2.gz KNGYUHUABZHXAM-LBPRGKRZSA-N 0 0 346.565 5.832 40 0 EKABRN Cc1cccc(NC(=O)c2cccc3c(Br)cccc23)c1 ZINC000004851435 210299102 /nfs/dbraw/zinc/29/91/02/210299102.db2.gz KOGVJNHWROUWIB-UHFFFAOYSA-N 0 0 340.220 5.163 40 0 EKABRN c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C2CCCCC2)cc1 ZINC000004853941 210300523 /nfs/dbraw/zinc/30/05/23/210300523.db2.gz ULKNDEUATRAGMY-RBBKRZOGSA-N 0 0 332.447 5.137 40 0 EKABRN c1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3C2CCCCC2)cc1 ZINC000004853943 210300102 /nfs/dbraw/zinc/30/01/02/210300102.db2.gz ULKNDEUATRAGMY-IFMALSPDSA-N 0 0 332.447 5.137 40 0 EKABRN O=C1C[C@@H](c2ccc(-c3ccccc3)cc2)Nc2ccc3ccccc3c21 ZINC000004854940 210301606 /nfs/dbraw/zinc/30/16/06/210301606.db2.gz WFPGYQBYEFHYIE-QHCPKHFHSA-N 0 0 349.433 6.246 40 0 EKABRN 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ZINC000005431922 563532367 /nfs/dbraw/zinc/53/23/67/563532367.db2.gz FRZRNKRJFAQXCX-NTMALXAHSA-N 0 0 329.267 5.720 40 0 EKABRN C(CSC1SCCCS1)CSC1SCCCS1 ZINC000005437392 563532909 /nfs/dbraw/zinc/53/29/09/563532909.db2.gz GWYZLBNTLUUFPQ-UHFFFAOYSA-N 0 0 344.683 5.150 40 0 EKABRN O=C1c2c(Cl)cccc2C(c2ccccc2)c2cccc(Cl)c21 ZINC000005438657 563532880 /nfs/dbraw/zinc/53/28/80/563532880.db2.gz AHNPIYVRNZLIRR-UHFFFAOYSA-N 0 0 339.221 5.718 40 0 EKABRN CC(C)CCCCCOC(=O)/C=C/C(=O)OCCCCCC(C)C ZINC000005440862 563532855 /nfs/dbraw/zinc/53/28/55/563532855.db2.gz QIGLLCHDIZAZFE-BUHFOSPRSA-N 0 0 340.504 5.062 40 0 EKABRN C[C@@H]1[C@H]2C[C@H]([C@@H](c3ccc(OC(=O)Nc4ccccc4)cc3)C2)C1(C)C ZINC000005442946 210464567 /nfs/dbraw/zinc/46/45/67/210464567.db2.gz COBDRXXOEJTYQG-UAMLPYHUSA-N 0 0 349.474 6.083 40 0 EKABRN C[C@H]1[C@H]2C[C@H]([C@@H](c3ccc(OC(=O)Nc4ccccc4)cc3)C2)C1(C)C ZINC000005442948 564005972 /nfs/dbraw/zinc/00/59/72/564005972.db2.gz COBDRXXOEJTYQG-AXNOTKAXSA-N 0 0 349.474 6.083 40 0 EKABRN COc1cc2ccccc2cc1C(=O)Nc1c(C)cccc1C(C)C ZINC000005443062 563532853 /nfs/dbraw/zinc/53/28/53/563532853.db2.gz XWNWROGDKQQNHR-UHFFFAOYSA-N 0 0 333.431 5.533 40 0 EKABRN CC(=O)OC/C=C(C)\C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C ZINC000005456980 563533213 /nfs/dbraw/zinc/53/32/13/563533213.db2.gz QGNJRVVDBSJHIZ-OKOKMKEDSA-N 0 0 328.496 6.081 40 0 EKABRN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 ZINC000005463412 564014049 /nfs/dbraw/zinc/01/40/49/564014049.db2.gz NAYXGKJPYLIZQR-UHFFFAOYSA-N 0 0 344.238 5.004 40 0 EKABRN Cc1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 ZINC000005463981 564014039 /nfs/dbraw/zinc/01/40/39/564014039.db2.gz CMSICCWKBOVBHO-UHFFFAOYSA-N 0 0 340.275 5.174 40 0 EKABRN Cc1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000005463991 563533592 /nfs/dbraw/zinc/53/35/92/563533592.db2.gz WHEOGUFTNJSMOY-UHFFFAOYSA-N 0 0 340.275 5.174 40 0 EKABRN CCCCCOc1ccc(C(=O)NCC(C)C)cc1OCCCCC ZINC000005464191 210469661 /nfs/dbraw/zinc/46/96/61/210469661.db2.gz CUDMTRLPPZSPSU-UHFFFAOYSA-N 0 0 349.515 5.210 40 0 EKABRN CCCCCOc1ccc(C(=O)NCCCC)cc1OCCCCC ZINC000005464197 210469298 /nfs/dbraw/zinc/46/92/98/210469298.db2.gz BWHODAFTVLXWGC-UHFFFAOYSA-N 0 0 349.515 5.355 40 0 EKABRN CCc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000005471137 564004475 /nfs/dbraw/zinc/00/44/75/564004475.db2.gz UKTQNFFKCKJBHC-UHFFFAOYSA-N 0 0 329.443 5.287 40 0 EKABRN CC(C)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 ZINC000005471422 563533943 /nfs/dbraw/zinc/53/39/43/563533943.db2.gz XTWQKRDUYSMRLH-UHFFFAOYSA-N 0 0 325.452 5.125 40 0 EKABRN CC(C)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000005471459 210471622 /nfs/dbraw/zinc/47/16/22/210471622.db2.gz IJUZBCSPCUJWNB-UHFFFAOYSA-N 0 0 325.452 5.125 40 0 EKABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000005471484 563533887 /nfs/dbraw/zinc/53/38/87/563533887.db2.gz RZOGNCUMTICSNQ-UHFFFAOYSA-N 0 0 339.479 5.433 40 0 EKABRN CCc1cccc(C)c1NC(=O)c1ccccc1CCc1ccccc1 ZINC000005471725 563533930 /nfs/dbraw/zinc/53/39/30/563533930.db2.gz JQUZTQYETIHPDV-UHFFFAOYSA-N 0 0 343.470 5.595 40 0 EKABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(C(C)C)cc1 ZINC000005476445 563534262 /nfs/dbraw/zinc/53/42/62/563534262.db2.gz LCBYDZQSHRYXSQ-UHFFFAOYSA-N 0 0 325.452 5.259 40 0 EKABRN CCc1c(-c2n[nH]c(-c3ccccc3)c2CC)n[nH]c1-c1ccccc1 ZINC000005479248 210472415 /nfs/dbraw/zinc/47/24/15/210472415.db2.gz YWWSQVQDIIKCAI-UHFFFAOYSA-N 0 0 342.446 5.259 40 0 EKABRN CC1(C)c2ccccc2N2CN3c4ccccc4C(C)(C)[C@]3(C)C=C21 ZINC000005488135 563534704 /nfs/dbraw/zinc/53/47/04/563534704.db2.gz QQMLUCLEPLMHRD-QHCPKHFHSA-N 0 0 330.475 5.196 40 0 EKABRN Cc1cc(C(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1N ZINC000005488388 210475148 /nfs/dbraw/zinc/47/51/48/210475148.db2.gz OIOPQPRKPLXTHL-UHFFFAOYSA-N 0 0 349.477 5.960 40 0 EKABRN C(=C/c1ncc(-c2ccccc2)cc1-c1ccccc1)\c1ccccc1 ZINC000005495395 563535009 /nfs/dbraw/zinc/53/50/09/563535009.db2.gz TZFVUFCCZYLKLS-WUKNDPDISA-N 0 0 333.434 6.586 40 0 EKABRN Cc1ccc(N[C@H]2C=C(c3ccccc3)Oc3ccccc32)c(C)c1 ZINC000005495429 563534981 /nfs/dbraw/zinc/53/49/81/563534981.db2.gz FQBPEQXRWFQPMO-NRFANRHFSA-N 0 0 327.427 5.890 40 0 EKABRN ON1c2ccccc2-c2ccccc2C1(c1ccccc1)c1ccccc1 ZINC000005495725 135671676 /nfs/dbraw/zinc/67/16/76/135671676.db2.gz BEIPDONXZRKANB-UHFFFAOYSA-N 0 0 349.433 5.855 40 0 EKABRN Fc1c(F)c(F)c(SN=S=Nc2ccccc2)c(F)c1F ZINC000005496169 563535011 /nfs/dbraw/zinc/53/50/11/563535011.db2.gz SXUWGAMHEKBWHA-UHFFFAOYSA-N 0 0 336.310 5.171 40 0 EKABRN OCCCCCCCCCCCCCCCCCCCCCCO ZINC000005501068 210476253 /nfs/dbraw/zinc/47/62/53/210476253.db2.gz HIBKFQRBONXURO-UHFFFAOYSA-N 0 0 342.608 6.773 40 0 biogenic,in-vitro EKABRN CCCCC(=O)Nc1ccc(C)c(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000005501824 563535735 /nfs/dbraw/zinc/53/57/35/563535735.db2.gz VTVOHHXPUWGUHG-UHFFFAOYSA-N 0 0 336.435 5.549 40 0 EKABRN CCCCC(=O)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000005501855 563535694 /nfs/dbraw/zinc/53/56/94/563535694.db2.gz LRXVVSFJPWXDAC-UHFFFAOYSA-N 0 0 344.414 5.777 40 0 EKABRN CCCCCC(=O)Nc1ccc2oc(-c3ccc(C)c(C)c3)nc2c1 ZINC000005501990 210475708 /nfs/dbraw/zinc/47/57/08/210475708.db2.gz SCGXGXRBSGTCKQ-UHFFFAOYSA-N 0 0 336.435 5.630 40 0 EKABRN CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)NCCO ZINC000005510367 563535704 /nfs/dbraw/zinc/53/57/04/563535704.db2.gz LGEQQWMQCRIYKG-BJCBFJDFSA-N 0 0 347.543 5.241 40 0 EKABRN COc1cc2ccccc2cc1C(=O)Nc1cc(Cl)ccc1C ZINC000005511912 563536111 /nfs/dbraw/zinc/53/61/11/563536111.db2.gz IDUGAECJQKDCKH-UHFFFAOYSA-N 0 0 325.795 5.063 40 0 EKABRN O=C(C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N1CCCCC1 ZINC000005513448 210479057 /nfs/dbraw/zinc/47/90/57/210479057.db2.gz YEGXQAXHBJNOFQ-UHFFFAOYSA-N 0 0 348.273 5.138 40 0 EKABRN COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl ZINC000005514075 564014079 /nfs/dbraw/zinc/01/40/79/564014079.db2.gz LOCIYYZGWKPXIY-UHFFFAOYSA-N 0 0 337.806 5.268 40 0 EKABRN CCCC[C@H](CC)COP(Oc1ccccc1)Oc1ccccc1 ZINC000005515121 563536146 /nfs/dbraw/zinc/53/61/46/563536146.db2.gz XKZGIJICHCVXFV-SFHVURJKSA-N 0 0 346.407 6.604 40 0 EKABRN COc1ccc(OC)c(C[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C)=CCC[C@@H]32)c1 ZINC000005515863 564014069 /nfs/dbraw/zinc/01/40/69/564014069.db2.gz YNTBOVIYSGWPEU-SZOBAZRNSA-N 0 0 342.523 6.045 40 0 EKABRN COc1ccc(OC)c(C[C@@]2(C)[C@H](C)CC[C@]3(C)C(C)=CCC[C@H]23)c1 ZINC000005515879 564014094 /nfs/dbraw/zinc/01/40/94/564014094.db2.gz YNTBOVIYSGWPEU-WIQPIVSASA-N 0 0 342.523 6.045 40 0 EKABRN O=C(Nc1nc2c(ccc3ccccc23)s1)c1ccccc1Cl ZINC000005518672 563536501 /nfs/dbraw/zinc/53/65/01/563536501.db2.gz CHUOPQYNOYPPIC-UHFFFAOYSA-N 0 0 338.819 5.355 40 0 EKABRN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1F ZINC000005521545 564014080 /nfs/dbraw/zinc/01/40/80/564014080.db2.gz DBFAWLIKGYMEAP-UHFFFAOYSA-N 0 0 348.402 5.355 40 0 EKABRN CCCCC/C=C/C/C=C/CCCCCCCC1=N[C@@](C)(CO)CO1 ZINC000005523686 563536890 /nfs/dbraw/zinc/53/68/90/563536890.db2.gz NYSIRRGURPKWBW-CLQLECQTSA-N 0 0 349.559 5.980 40 0 EKABRN COc1ccc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000005526969 563537271 /nfs/dbraw/zinc/53/72/71/563537271.db2.gz HNTZKLXOWVQDKC-UHFFFAOYSA-N 0 0 347.414 5.059 40 0 EKABRN CC(=O)CC/C=C(/C)CC[C@@H]1[C@@H](C)CC[C@@H]2C(C)(C)CCC[C@]12C ZINC000005529361 210481689 /nfs/dbraw/zinc/48/16/89/210481689.db2.gz QKSODSWUZYYQJJ-PKEMPPKDSA-N 0 0 332.572 6.961 40 0 EKABRN Cc1c(Cl)cccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000005532600 257867598 /nfs/dbraw/zinc/86/75/98/257867598.db2.gz ZKMIZJCOEUJWMG-JLHYYAGUSA-N 0 0 327.855 5.598 40 0 EKABRN O=C(Nc1n[nH]c2cc(Cl)ccc21)Nc1cccc2ccccc21 ZINC000005532698 210482917 /nfs/dbraw/zinc/48/29/17/210482917.db2.gz CRWZHVMQBSCDOH-UHFFFAOYSA-N 0 0 336.782 5.014 40 0 EKABRN COc1ccc(OC)c(C[C@]2(C)[C@H]3CCC=C(C)[C@]3(C)CC[C@@H]2C)c1 ZINC000005533810 564014099 /nfs/dbraw/zinc/01/40/99/564014099.db2.gz YNTBOVIYSGWPEU-ZMVGRULKSA-N 0 0 342.523 6.045 40 0 EKABRN COc1ccc(OC)c(C[C@]2(C)[C@H]3CCC=C(C)[C@@]3(C)CC[C@@H]2C)c1 ZINC000005533890 564014074 /nfs/dbraw/zinc/01/40/74/564014074.db2.gz YNTBOVIYSGWPEU-QMZRJTEUSA-N 0 0 342.523 6.045 40 0 EKABRN O=C(Nc1cccc2ccccc21)OC[C@H]1CCc2ccccc2C1 ZINC000005539099 563538184 /nfs/dbraw/zinc/53/81/84/563538184.db2.gz PSQAMMNCBSLBRW-INIZCTEOSA-N 0 0 331.415 5.193 40 0 EKABRN Cc1ccc(C)c(NC(=O)c2ccccc2CCc2ccccc2)c1 ZINC000005542495 563538108 /nfs/dbraw/zinc/53/81/08/563538108.db2.gz HZPOVCNORKVLOS-UHFFFAOYSA-N 0 0 329.443 5.341 40 0 EKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000005542784 563538383 /nfs/dbraw/zinc/53/83/83/563538383.db2.gz VVKFCHXDKDOVCQ-UHFFFAOYSA-N 0 0 325.452 5.259 40 0 EKABRN Fc1ccc(/C=C/c2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000005545448 201654537 /nfs/dbraw/zinc/65/45/37/201654537.db2.gz KUMCHSOAHSHWQH-NTCAYCPXSA-N 0 0 328.390 5.394 40 0 EKABRN Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C ZINC000005546739 563538385 /nfs/dbraw/zinc/53/83/85/563538385.db2.gz QDOOFLMDRSUMHZ-UHFFFAOYSA-N 0 0 327.733 5.228 40 0 EKABRN Cc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1C ZINC000005547022 563538388 /nfs/dbraw/zinc/53/83/88/563538388.db2.gz WLWOPXXGCCHIDF-UHFFFAOYSA-N 0 0 329.443 5.341 40 0 EKABRN Cc1ccc2nc(NC(=O)Nc3cccc4ccccc43)sc2c1 ZINC000005547832 210486043 /nfs/dbraw/zinc/48/60/43/210486043.db2.gz GDFCFEXUFBTNAL-UHFFFAOYSA-N 0 0 333.416 5.402 40 0 EKABRN Cc1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1C ZINC000005548727 563538397 /nfs/dbraw/zinc/53/83/97/563538397.db2.gz WUYSUCPGLPKTBG-UHFFFAOYSA-N 0 0 329.443 5.341 40 0 EKABRN C[C@H](c1ccccc1)C1N(c2ccccc2)CCN1c1ccccc1 ZINC000005551403 563538890 /nfs/dbraw/zinc/53/88/90/563538890.db2.gz FJEQFEQBWAZARY-LJQANCHMSA-N 0 0 328.459 5.143 40 0 EKABRN Cc1cc(C)nc(/C=C/c2ccc(/C=C/c3cc(C)cc(C)n3)cc2)c1 ZINC000005552680 563539140 /nfs/dbraw/zinc/53/91/40/563539140.db2.gz NHFWLPKGJSKYHA-WGDLNXRISA-N 0 0 340.470 6.051 40 0 EKABRN Cc1cccc(N2C(=O)S/C(=C\c3c[nH]c4ccccc34)C2=O)c1C ZINC000005552719 563539154 /nfs/dbraw/zinc/53/91/54/563539154.db2.gz PENFTGMAGREMNL-ZDLGFXPLSA-N 0 0 348.427 5.026 40 0 EKABRN Cc1ccc(N2[C@H]3CCCN3c3ccc(C)cc3[C@@H]2C(F)(F)F)cc1 ZINC000005553196 563539582 /nfs/dbraw/zinc/53/95/82/563539582.db2.gz ANDSDOUKOCZWFP-RBUKOAKNSA-N 0 0 346.396 5.353 40 0 EKABRN CCCC[C@@H](C)CCOC(=O)/C=C/C(=O)OCC[C@@H](C)CCCC ZINC000005553393 563539577 /nfs/dbraw/zinc/53/95/77/563539577.db2.gz CLGJLUYIBOKHCU-JZYAGYNQSA-N 0 0 340.504 5.062 40 0 EKABRN CCCCOc1ccc(/C=C\C(=O)OC[C@H](CC)CCCC)cc1 ZINC000005553660 563539631 /nfs/dbraw/zinc/53/96/31/563539631.db2.gz NWSWTXGGTKZDFO-WTQUMQLASA-N 0 0 332.484 5.638 40 0 EKABRN CCCCOC(=O)c1cccc(C(=O)OC[C@H](CC)CCCC)c1 ZINC000005553716 210488323 /nfs/dbraw/zinc/48/83/23/210488323.db2.gz IEPSFYBDYXIRGR-MRXNPFEDSA-N 0 0 334.456 5.017 40 0 EKABRN CCCCNC(=O)[C@@H](CCCC)C(CCC)(CCC)CCCC ZINC000005554145 563539677 /nfs/dbraw/zinc/53/96/77/563539677.db2.gz AMXFHTHLFMHPQX-LJQANCHMSA-N 0 0 325.581 6.486 40 0 EKABRN CCCCc1ccc([C@H](CC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000005554770 563539588 /nfs/dbraw/zinc/53/95/88/563539588.db2.gz SPFSVEKWCKWVLI-XMMPIXPASA-N 0 0 342.482 6.434 40 0 EKABRN CCN(C1CCCCC1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000005555562 563539655 /nfs/dbraw/zinc/53/96/55/563539655.db2.gz UROSOSBGKQHGBI-UHFFFAOYSA-N 0 0 349.540 5.078 40 0 EKABRN Cc1cccc(NC(=O)CSCc2c(Cl)cccc2Cl)c1 ZINC000005555746 564014133 /nfs/dbraw/zinc/01/41/33/564014133.db2.gz OKRPMVPFWGINPB-UHFFFAOYSA-N 0 0 340.275 5.174 40 0 EKABRN O=C(Nc1cccc(Cl)c1)NC1CCCCCCCCCCC1 ZINC000005568693 563540337 /nfs/dbraw/zinc/54/03/37/563540337.db2.gz WQUBEJVUKLSNNR-UHFFFAOYSA-N 0 0 336.907 6.135 40 0 EKABRN CCCC[C@@H](c1cccc(O)c1)[C@@H](CCCC)c1cccc(O)c1 ZINC000005572814 563540783 /nfs/dbraw/zinc/54/07/83/563540783.db2.gz TUIUBFPFLXPNFD-VXKWHMMOSA-N 0 0 326.480 6.346 40 0 EKABRN CCCC[C@H](c1cccc(O)c1)[C@H](CCCC)c1cccc(O)c1 ZINC000005572820 563540762 /nfs/dbraw/zinc/54/07/62/563540762.db2.gz TUIUBFPFLXPNFD-FGZHOGPDSA-N 0 0 326.480 6.346 40 0 EKABRN CCOC(=O)[C@H](c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000005575521 210493865 /nfs/dbraw/zinc/49/38/65/210493865.db2.gz CHVAZIBYKIHFHJ-JOCHJYFZSA-N 0 0 330.427 5.165 40 0 EKABRN COc1ccc(-c2cn3cc(-c4ccccc4)n4c3c2CCCC4)cc1 ZINC000005576430 210494077 /nfs/dbraw/zinc/49/40/77/210494077.db2.gz GAFXHSLZHZEPLJ-UHFFFAOYSA-N 0 0 342.442 5.420 40 0 EKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1C ZINC000005577976 563540800 /nfs/dbraw/zinc/54/08/00/563540800.db2.gz XNFHMFSARGODDJ-UHFFFAOYSA-N 0 0 325.795 5.063 40 0 EKABRN Cc1nc2[nH]cc(-c3ccccc3)c2c(Nc2c(C)cccc2C)n1 ZINC000005579640 563541132 /nfs/dbraw/zinc/54/11/32/563541132.db2.gz XIJXAVDJWBKUCW-UHFFFAOYSA-N 0 0 328.419 5.245 40 0 EKABRN Nc1ccc(C2=Nc3ccccc3S[C@H](c3ccccc3O)C2)cc1 ZINC000005581682 563541101 /nfs/dbraw/zinc/54/11/01/563541101.db2.gz ARBIJFULXIRXDL-NRFANRHFSA-N 0 0 346.455 5.332 40 0 EKABRN Nc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3O)C2)cc1 ZINC000005581733 563541003 /nfs/dbraw/zinc/54/10/03/563541003.db2.gz ARBIJFULXIRXDL-OAQYLSRUSA-N 0 0 346.455 5.332 40 0 EKABRN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(Cl)c(Cl)c1 ZINC000005583037 201656192 /nfs/dbraw/zinc/65/61/92/201656192.db2.gz TYKXGNJWDKWBKM-UHFFFAOYSA-N 0 0 342.225 5.498 40 0 EKABRN Cc1ccc(Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000005588004 563541430 /nfs/dbraw/zinc/54/14/30/563541430.db2.gz YKNUCMZSOXKOMD-UHFFFAOYSA-N 0 0 342.467 6.529 40 0 EKABRN Cc1nc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cs1 ZINC000005588768 563541477 /nfs/dbraw/zinc/54/14/77/563541477.db2.gz YAURWTIWOQXVLS-UHFFFAOYSA-N 0 0 336.847 5.987 40 0 EKABRN c1coc(-c2nc3ccccc3c(-c3ccccc3)c2-c2ccccc2)c1 ZINC000005589914 563541512 /nfs/dbraw/zinc/54/15/12/563541512.db2.gz OOEZCWALHOMDQA-UHFFFAOYSA-N 0 0 347.417 6.829 40 0 EKABRN CCCC[C@@H](CC)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000005591061 563541825 /nfs/dbraw/zinc/54/18/25/563541825.db2.gz ATTPBKUJDOVWOL-GOSISDBHSA-N 0 0 325.452 5.421 40 0 EKABRN CCCC[C@H](CC)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000005591126 563541784 /nfs/dbraw/zinc/54/17/84/563541784.db2.gz ATTPBKUJDOVWOL-SFHVURJKSA-N 0 0 325.452 5.421 40 0 EKABRN O[C@@H]1c2cccn2-c2cc(Cl)ccc2S[C@@H]1c1ccccc1 ZINC000005593578 563541887 /nfs/dbraw/zinc/54/18/87/563541887.db2.gz BOKTVCCWYWMDJW-QZTJIDSGSA-N 0 0 327.836 5.011 40 0 EKABRN O[C@H]1c2cccn2-c2cc(Cl)ccc2S[C@@H]1c1ccccc1 ZINC000005593581 563541774 /nfs/dbraw/zinc/54/17/74/563541774.db2.gz BOKTVCCWYWMDJW-ZWKOTPCHSA-N 0 0 327.836 5.011 40 0 EKABRN O[C@@H]1c2cccn2-c2cc(Cl)ccc2S[C@H]1c1ccccc1 ZINC000005593654 563541848 /nfs/dbraw/zinc/54/18/48/563541848.db2.gz BOKTVCCWYWMDJW-MSOLQXFVSA-N 0 0 327.836 5.011 40 0 EKABRN OC[C@@H](O)COCCCCCCCCCCCCC[C@@H]1C=CCC1 ZINC000005600223 563542185 /nfs/dbraw/zinc/54/21/85/563542185.db2.gz NDGBSIABANLBIW-NHCUHLMSSA-N 0 0 340.548 5.004 40 0 EKABRN OC[C@H](O)COCCCCCCCCCCCCC[C@@H]1C=CCC1 ZINC000005600225 563542181 /nfs/dbraw/zinc/54/21/81/563542181.db2.gz NDGBSIABANLBIW-RTWAWAEBSA-N 0 0 340.548 5.004 40 0 EKABRN OC[C@@H](O)COCCCCCCCCCCCCC[C@H]1C=CCC1 ZINC000005600364 563542153 /nfs/dbraw/zinc/54/21/53/563542153.db2.gz NDGBSIABANLBIW-LEWJYISDSA-N 0 0 340.548 5.004 40 0 EKABRN OC[C@H](O)COCCCCCCCCCCCCC[C@H]1C=CCC1 ZINC000005600366 201657308 /nfs/dbraw/zinc/65/73/08/201657308.db2.gz NDGBSIABANLBIW-SFTDATJTSA-N 0 0 340.548 5.004 40 0 EKABRN Brc1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1 ZINC000005604128 563542160 /nfs/dbraw/zinc/54/21/60/563542160.db2.gz MNUZKMAIKKBYQR-UHFFFAOYSA-N 0 0 341.204 6.034 40 0 EKABRN O=C(Nc1ccccc1-c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000005604526 564014210 /nfs/dbraw/zinc/01/42/10/564014210.db2.gz FKDRLLVCXHHUSG-UHFFFAOYSA-N 0 0 349.433 6.273 40 0 EKABRN S=c1ssc2c1S[C@@H](c1cc3ccccc3[nH]1)S2 ZINC000005604908 563542566 /nfs/dbraw/zinc/54/25/66/563542566.db2.gz CLUVBROWRXRNPT-LLVKDONJSA-N 0 0 325.530 5.917 40 0 EKABRN S=c1ssc2c1S[C@H](c1cc3ccccc3[nH]1)S2 ZINC000005604909 563542492 /nfs/dbraw/zinc/54/24/92/563542492.db2.gz CLUVBROWRXRNPT-NSHDSACASA-N 0 0 325.530 5.917 40 0 EKABRN C(=Cc1ccccc1)c1cc(-c2cc(C=Cc3ccccc3)[nH]n2)n[nH]1 ZINC000005606671 563542981 /nfs/dbraw/zinc/54/29/81/563542981.db2.gz HHSWSLOQIXLUAS-PHEQNACWSA-N 0 0 338.414 5.141 40 0 EKABRN C=C1c2cc(OCC)ccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000005608167 257867025 /nfs/dbraw/zinc/86/70/25/257867025.db2.gz YBPNIQYKXJOGNP-UHFFFAOYSA-N 0 0 349.217 5.415 40 0 EKABRN Cc1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccc(Cl)cc1 ZINC000005610658 564125683 /nfs/dbraw/zinc/12/56/83/564125683.db2.gz OJBIRQZZBJZWMI-UHFFFAOYSA-N 0 0 346.814 5.163 40 0 EKABRN CC1(C)Cc2c3ccccc3ccc2C(COCc2ccccc2)=N1 ZINC000005614238 563542904 /nfs/dbraw/zinc/54/29/04/563542904.db2.gz UZLADFMMTYRZHN-UHFFFAOYSA-N 0 0 329.443 5.180 40 0 EKABRN CCCCCC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000005614726 564125679 /nfs/dbraw/zinc/12/56/79/564125679.db2.gz AJSYATPLOAKKNF-UHFFFAOYSA-N 0 0 344.842 5.111 40 0 EKABRN CCCCOc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000005615184 201657619 /nfs/dbraw/zinc/65/76/19/201657619.db2.gz RFVSRWLXFWENTF-UHFFFAOYSA-N 0 0 338.234 5.425 40 0 EKABRN Cc1ccc(N2C(=N)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1C ZINC000005618120 564014223 /nfs/dbraw/zinc/01/42/23/564014223.db2.gz CIIGYMKZTDHMGT-UDIJICLVSA-N 0 0 342.851 5.013 40 0 EKABRN Cc1c2cc(C)ccc2[nH]c1-c1ccccc1OC(=O)c1ccccc1 ZINC000005619008 210502825 /nfs/dbraw/zinc/50/28/25/210502825.db2.gz RNWYZKYGUGDELP-UHFFFAOYSA-N 0 0 341.410 5.671 40 0 EKABRN Cc1ccc2c(c1)sc(C(=O)N1CCc3ccccc31)c2Cl ZINC000005619154 564014218 /nfs/dbraw/zinc/01/42/18/564014218.db2.gz UQQOEAZHXSRIBG-UHFFFAOYSA-N 0 0 327.836 5.066 40 0 EKABRN Cc1ccc2c(c1)sc(C(=O)Nc1cccc(C)c1C)c2Cl ZINC000005619204 564014241 /nfs/dbraw/zinc/01/42/41/564014241.db2.gz MTILCWVXTHELPP-UHFFFAOYSA-N 0 0 329.852 5.732 40 0 EKABRN Cc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000005619491 564006415 /nfs/dbraw/zinc/00/64/15/564006415.db2.gz RMBIHTBLJPYDSM-UHFFFAOYSA-N 0 0 328.824 5.024 40 0 EKABRN Cc1cccc(-c2nc3ccc(NC(=O)c4cccc(F)c4)cc3o2)c1 ZINC000005619801 201657076 /nfs/dbraw/zinc/65/70/76/201657076.db2.gz ARSXBZRHQJUYNV-UHFFFAOYSA-N 0 0 346.361 5.195 40 0 EKABRN C[C@@H](C/C=C(/[C@@H](C)CC(C)(C)C)C1SCCS1)CC(C)(C)C ZINC000005641352 563543601 /nfs/dbraw/zinc/54/36/01/563543601.db2.gz ZGQRHXAWTWNZJQ-MWBWVTEGSA-N 0 0 342.658 7.254 40 0 EKABRN CC1(C)[C@@H]2CC[C@H]1[C@H](OC(=O)Nc1ccc(Cl)c(Cl)c1)C2 ZINC000005645054 564014214 /nfs/dbraw/zinc/01/42/14/564014214.db2.gz BNRWIFFGXQRKHM-OLUVUFQESA-N 0 0 328.239 5.367 40 0 EKABRN CC1(C)[C@H]2CC[C@@H]1[C@H](OC(=O)Nc1ccc(Cl)c(Cl)c1)C2 ZINC000005645067 564014226 /nfs/dbraw/zinc/01/42/26/564014226.db2.gz BNRWIFFGXQRKHM-DRCTWCGVSA-N 0 0 328.239 5.367 40 0 EKABRN CCOC(=O)[C@](C)(CC)Oc1ccc(Cc2ccc(Cl)cc2)cc1 ZINC000005651229 563544066 /nfs/dbraw/zinc/54/40/66/563544066.db2.gz YWQGBCXVCXMSLJ-FQEVSTJZSA-N 0 0 346.854 5.041 40 0 in-man EKABRN CCOc1cc(C=O)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000005651993 564014212 /nfs/dbraw/zinc/01/42/12/564014212.db2.gz KGKKJFJCVUZJSC-UHFFFAOYSA-N 0 0 340.806 5.283 40 0 EKABRN CCc1cccc(C)c1NC(=O)CCCOc1ccc(Cl)cc1 ZINC000005658508 564014247 /nfs/dbraw/zinc/01/42/47/564014247.db2.gz NPRJZCVEIJHPPM-UHFFFAOYSA-N 0 0 331.843 5.009 40 0 EKABRN CCc1cccc(CC)c1NC(=O)COc1cc(C)ccc1C(C)C ZINC000005658523 201658286 /nfs/dbraw/zinc/65/82/86/201658286.db2.gz YTQPTSANNFEPBH-UHFFFAOYSA-N 0 0 339.479 5.261 40 0 EKABRN Cc1ccccc1Nc1nc2ccccc2c(Nc2ccccc2C)n1 ZINC000005659810 564032912 /nfs/dbraw/zinc/03/29/12/564032912.db2.gz JXZCGLRIDSIQLD-UHFFFAOYSA-N 0 0 340.430 5.734 40 0 biogenic,in-vitro EKABRN CC(=O)OC1=Cc2ccccc2[C@H](c2ccccc2)c2ccccc21 ZINC000005663880 210511541 /nfs/dbraw/zinc/51/15/41/210511541.db2.gz RCCIUMHOWJFJJX-QHCPKHFHSA-N 0 0 326.395 5.241 40 0 EKABRN CC(=O)OC1=Cc2ccccc2[C@@H](c2ccccc2)c2ccccc21 ZINC000005663884 210510989 /nfs/dbraw/zinc/51/09/89/210510989.db2.gz RCCIUMHOWJFJJX-HSZRJFAPSA-N 0 0 326.395 5.241 40 0 EKABRN O=C(Nc1cccc(Cl)c1)OC1CCCCCCCCCCC1 ZINC000005671196 563544819 /nfs/dbraw/zinc/54/48/19/563544819.db2.gz FKQSIUDMDZLQIM-UHFFFAOYSA-N 0 0 337.891 6.562 40 0 EKABRN S=C(Nc1ccccc1)N1c2ccccc2C=Cc2ccccc21 ZINC000005672401 563544844 /nfs/dbraw/zinc/54/48/44/563544844.db2.gz FTOGBTNRKXBRFB-UHFFFAOYSA-N 0 0 328.440 5.706 40 0 EKABRN CC(C)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000005673154 563544848 /nfs/dbraw/zinc/54/48/48/563544848.db2.gz WELCSVDDNFRBKD-UHFFFAOYSA-N 0 0 331.843 5.260 40 0 EKABRN O=C(Cc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000005673450 564014256 /nfs/dbraw/zinc/01/42/56/564014256.db2.gz QHBNZKDPKOBMLB-UHFFFAOYSA-N 0 0 348.151 5.193 40 0 EKABRN CCc1nc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2s1 ZINC000005674515 563545218 /nfs/dbraw/zinc/54/52/18/563545218.db2.gz KNXHECIWFQIPJP-UHFFFAOYSA-N 0 0 332.428 5.264 40 0 EKABRN CCc1nc2ccc(C(=O)Nc3cccc4ccccc43)cc2s1 ZINC000005674518 201658985 /nfs/dbraw/zinc/65/89/85/201658985.db2.gz PFCOZXJVRVYESL-UHFFFAOYSA-N 0 0 332.428 5.264 40 0 EKABRN C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005676673 563545100 /nfs/dbraw/zinc/54/51/00/563545100.db2.gz GERYMSHVTOKHTN-SCUMNGBJSA-N 0 0 339.523 5.319 40 0 EKABRN O=C(/C=C/c1ccccc1Cl)Nc1c(Cl)cccc1Cl ZINC000005678570 257867373 /nfs/dbraw/zinc/86/73/73/257867373.db2.gz PENGCVSYYIKITR-CMDGGOBGSA-N 0 0 326.610 5.299 40 0 EKABRN O=C(/C=C/c1ccccc1)Nc1ccccc1Sc1ccccc1 ZINC000005680540 210516229 /nfs/dbraw/zinc/51/62/29/210516229.db2.gz OVOSCLARIDAYOG-FOCLMDBBSA-N 0 0 331.440 5.490 40 0 EKABRN O=C(CCC1CCCCC1)NCCC(c1ccccc1)c1ccccc1 ZINC000005681811 563545247 /nfs/dbraw/zinc/54/52/47/563545247.db2.gz LBCJLXDBIABFKG-UHFFFAOYSA-N 0 0 349.518 5.685 40 0 EKABRN O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000005681838 563545222 /nfs/dbraw/zinc/54/52/22/563545222.db2.gz MALWKLAUKZRUQC-UHFFFAOYSA-N 0 0 349.861 5.292 40 0 EKABRN Cc1c(Cl)cccc1NC(=O)CCCOc1ccc(Cl)cc1 ZINC000005697197 564014152 /nfs/dbraw/zinc/01/41/52/564014152.db2.gz OOJIVSKHCSFURP-UHFFFAOYSA-N 0 0 338.234 5.100 40 0 EKABRN Cc1c2ccccc2oc1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000005697421 563545835 /nfs/dbraw/zinc/54/58/35/563545835.db2.gz IEDRAEXODVFKOT-XSXQVXRUSA-N 0 0 337.463 5.076 40 0 EKABRN Cc1cc(C)c(NC(=O)CCCOc2ccc(Cl)cc2)c(C)c1 ZINC000005697526 210519128 /nfs/dbraw/zinc/51/91/28/210519128.db2.gz KKXVPZGNXVIMNJ-UHFFFAOYSA-N 0 0 331.843 5.063 40 0 EKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000005698268 563546238 /nfs/dbraw/zinc/54/62/38/563546238.db2.gz AJCQGDKOHAAALP-UHFFFAOYSA-N 0 0 339.479 5.568 40 0 EKABRN COc1cc(C(c2ccccc2)c2ccccc2)c2ccccc2c1O 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Cc1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1C ZINC000006035070 210579962 /nfs/dbraw/zinc/57/99/62/210579962.db2.gz LELZKRUGJNHHIS-UHFFFAOYSA-N 0 0 331.415 5.135 40 0 EKABRN CCCCC1CCC(C(=O)Oc2ccc(C3CCCCC3)cc2)CC1 ZINC000006039824 564006302 /nfs/dbraw/zinc/00/63/02/564006302.db2.gz AQAZSJIFTWVXAR-UHFFFAOYSA-N 0 0 342.523 6.636 40 0 EKABRN CCCC[C@@H](CC)CNC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000006042888 563557607 /nfs/dbraw/zinc/55/76/07/563557607.db2.gz WGWGFWKWXUCCSM-AORWBKJGSA-N 0 0 328.283 5.339 40 0 EKABRN CCCC[C@@H](CC)CNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000006042899 563557687 /nfs/dbraw/zinc/55/76/87/563557687.db2.gz PQSLHVWSXJXPRU-LJQANCHMSA-N 0 0 337.507 5.541 40 0 EKABRN CCCC[C@H](CC)CNC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000006043074 563558104 /nfs/dbraw/zinc/55/81/04/563558104.db2.gz WGWGFWKWXUCCSM-FROQITRMSA-N 0 0 328.283 5.339 40 0 EKABRN CCCC[C@H](CC)CNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000006043085 210579120 /nfs/dbraw/zinc/57/91/20/210579120.db2.gz PQSLHVWSXJXPRU-IBGZPJMESA-N 0 0 337.507 5.541 40 0 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/nfs/dbraw/zinc/12/58/01/564125801.db2.gz KTHDBUSYMKTWEB-UHFFFAOYSA-N 0 0 336.247 5.071 40 0 EKABRN Cc1sc(NC(=O)c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000006185502 564014496 /nfs/dbraw/zinc/01/44/96/564014496.db2.gz VGYFQJUJIKEORU-UHFFFAOYSA-N 0 0 328.824 5.024 40 0 EKABRN Cc1sc(Nc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000006185829 564014552 /nfs/dbraw/zinc/01/45/52/564014552.db2.gz SZYJGIQVHJKVJN-UHFFFAOYSA-N 0 0 335.259 6.169 40 0 EKABRN COc1ccc(-c2nc(Nc3cccc(Cl)c3)sc2C)cc1 ZINC000006185949 564014549 /nfs/dbraw/zinc/01/45/49/564014549.db2.gz SEPAMQHWJKUQHC-UHFFFAOYSA-N 0 0 330.840 5.524 40 0 EKABRN Cc1sc(Nc2cccc(Cl)c2Cl)nc1-c1ccccc1 ZINC000006186021 564014530 /nfs/dbraw/zinc/01/45/30/564014530.db2.gz YKRAPPINSORBCL-UHFFFAOYSA-N 0 0 335.259 6.169 40 0 EKABRN On1c(-c2ccc(Cl)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000006188360 563560636 /nfs/dbraw/zinc/56/06/36/563560636.db2.gz VGAWOKPBOXUGJA-UHFFFAOYSA-N 0 0 346.817 5.775 40 0 EKABRN Cc1cc(C)cc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 ZINC000006188766 210599385 /nfs/dbraw/zinc/59/93/85/210599385.db2.gz LDSFYVMLEFHDLQ-CJLVFECKSA-N 0 0 327.427 5.483 40 0 EKABRN Cc1ccc(C)c(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 ZINC000006189864 210599728 /nfs/dbraw/zinc/59/97/28/210599728.db2.gz FKCJIKXXOADBAX-LTGZKZEYSA-N 0 0 327.427 5.483 40 0 EKABRN CC(C)c1ccc(C2=Nc3ccccc3C(c3cccs3)=NN2)cc1 ZINC000006190779 564014565 /nfs/dbraw/zinc/01/45/65/564014565.db2.gz WLZOXCUXJYQOAE-UHFFFAOYSA-N 0 0 345.471 5.305 40 0 EKABRN CC(C)c1ccc2c(c1)C(c1cccs1)=NNC(c1ccccc1)=N2 ZINC000006190906 564014553 /nfs/dbraw/zinc/01/45/53/564014553.db2.gz SFODHMQEFSCYMU-UHFFFAOYSA-N 0 0 345.471 5.305 40 0 EKABRN CC/C=C/c1cc2c(cc1O)CC[C@H]1[C@H]3CC[C@H](O)[C@]3(C)CC[C@H]21 ZINC000006201846 210599100 /nfs/dbraw/zinc/59/91/00/210599100.db2.gz ANAMDWGJXBYJEB-FASNLENTSA-N 0 0 326.480 5.032 40 0 EKABRN CC/C=C/c1cc2c(cc1O)CC[C@@H]1[C@H]3CC[C@H](O)[C@]3(C)CC[C@H]21 ZINC000006201848 563561039 /nfs/dbraw/zinc/56/10/39/563561039.db2.gz ANAMDWGJXBYJEB-YMARAJBZSA-N 0 0 326.480 5.032 40 0 EKABRN Cc1cc(C)cc(-c2cc3ccccc3cc2C2=NC(C)(C)CO2)c1 ZINC000006202549 210598859 /nfs/dbraw/zinc/59/88/59/210598859.db2.gz DXRKFCLWCYUHDI-UHFFFAOYSA-N 0 0 329.443 5.679 40 0 EKABRN CCC1(CC)[C@H](C(=O)Nc2ccc(Cc3ccncc3)cc2)C1(C)C ZINC000006203031 563561042 /nfs/dbraw/zinc/56/10/42/563561042.db2.gz VRWBOUIJDNCDQD-LJQANCHMSA-N 0 0 336.479 5.073 40 0 EKABRN CCC1(CC)[C@@H](C(=O)Nc2ccc(Cc3ccncc3)cc2)C1(C)C ZINC000006203032 563560987 /nfs/dbraw/zinc/56/09/87/563560987.db2.gz VRWBOUIJDNCDQD-IBGZPJMESA-N 0 0 336.479 5.073 40 0 EKABRN CCCCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000006203959 564014538 /nfs/dbraw/zinc/01/45/38/564014538.db2.gz YGCLIJZRJJVKSY-UHFFFAOYSA-N 0 0 338.234 5.425 40 0 EKABRN CCCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1OCC ZINC000006204691 563992080 /nfs/dbraw/zinc/99/20/80/563992080.db2.gz IPRQGAXDCDZDSA-UHFFFAOYSA-N 0 0 347.842 5.088 40 0 EKABRN Cc1ccc(SCc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1 ZINC000006205104 564014664 /nfs/dbraw/zinc/01/46/64/564014664.db2.gz NUUGCNLUGTXFON-UHFFFAOYSA-N 0 0 339.504 5.159 40 0 EKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)o2)cc1C ZINC000006205775 564125781 /nfs/dbraw/zinc/12/57/81/564125781.db2.gz XSFNILCBRXPHEZ-UHFFFAOYSA-N 0 0 325.795 5.469 40 0 EKABRN CC(C)=CCC[C@]1(C)C=Cc2c3[nH]c4ccc(C)cc4c3ccc2O1 ZINC000006206699 564082942 /nfs/dbraw/zinc/08/29/42/564082942.db2.gz YZBKHDJPIAYXQH-HSZRJFAPSA-N 0 0 331.459 6.540 40 0 endogenous,in-man EKABRN CC(C)=CCC[C@@]1(C)C=Cc2c3[nH]c4ccc(C)cc4c3ccc2O1 ZINC000006206700 210600028 /nfs/dbraw/zinc/60/00/28/210600028.db2.gz YZBKHDJPIAYXQH-QHCPKHFHSA-N 0 0 331.459 6.540 40 0 endogenous,in-man EKABRN CCOc1cc(C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC ZINC000006207227 563992078 /nfs/dbraw/zinc/99/20/78/563992078.db2.gz RGPNYTAKIILWAU-UHFFFAOYSA-N 0 0 347.842 5.007 40 0 EKABRN Cc1cccc(OCc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)c1 ZINC000006207238 564125789 /nfs/dbraw/zinc/12/57/89/564125789.db2.gz OZELTOWOWSMVHQ-UHFFFAOYSA-N 0 0 345.442 5.443 40 0 EKABRN Cc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000006212880 563561231 /nfs/dbraw/zinc/56/12/31/563561231.db2.gz BLCQVHFENGZZER-UHFFFAOYSA-N 0 0 332.403 5.218 40 0 EKABRN Cc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc(C)cc1 ZINC000006215024 564014606 /nfs/dbraw/zinc/01/46/06/564014606.db2.gz HSPWMHYPUUUWJK-UHFFFAOYSA-N 0 0 342.851 5.333 40 0 EKABRN Cc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccc(C)cc1 ZINC000006215034 210601223 /nfs/dbraw/zinc/60/12/23/210601223.db2.gz GRWLDRKSCHXLRX-UHFFFAOYSA-N 0 0 342.851 5.333 40 0 EKABRN Cc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccc(C)cc1 ZINC000006215050 564014608 /nfs/dbraw/zinc/01/46/08/564014608.db2.gz RMQZUAXPAZWKRS-UHFFFAOYSA-N 0 0 342.851 5.333 40 0 EKABRN Cc1cc(Cl)ccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000006215312 201676081 /nfs/dbraw/zinc/67/60/81/201676081.db2.gz DQANYWVKIZQEOL-UHFFFAOYSA-N 0 0 335.834 5.497 40 0 EKABRN Cc1cc(Cl)ccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000006215330 563561189 /nfs/dbraw/zinc/56/11/89/563561189.db2.gz HYWAWIKKZPLEJR-UHFFFAOYSA-N 0 0 338.234 5.098 40 0 EKABRN O=C(Cc1ccccc1Cl)Nc1ccc(Oc2ccccc2)cc1 ZINC000006215470 563561176 /nfs/dbraw/zinc/56/11/76/563561176.db2.gz LFUZBKKZUIZDMR-UHFFFAOYSA-N 0 0 337.806 5.314 40 0 EKABRN Cc1ccc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C ZINC000006215497 563561315 /nfs/dbraw/zinc/56/13/15/563561315.db2.gz LHAOBHRCYAPPSZ-UHFFFAOYSA-N 0 0 331.415 5.277 40 0 EKABRN CC(C)Oc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000006215585 564014587 /nfs/dbraw/zinc/01/45/87/564014587.db2.gz OHJWHECGGCWLMD-UHFFFAOYSA-N 0 0 347.414 5.518 40 0 EKABRN Cc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1 ZINC000006216182 563561277 /nfs/dbraw/zinc/56/12/77/563561277.db2.gz QRBYWAIQSXZEPF-UHFFFAOYSA-N 0 0 337.231 5.164 40 0 EKABRN Cc1sc(NC(=O)c2cccc(C)c2)nc1-c1ccc(Cl)cc1 ZINC000006216827 563561209 /nfs/dbraw/zinc/56/12/09/563561209.db2.gz OBKCSNGKMAJDJJ-UHFFFAOYSA-N 0 0 342.851 5.333 40 0 EKABRN Cc1cccc(C)c1NC(=O)/C(=C/c1ccccc1)c1ccccc1 ZINC000006217611 564014577 /nfs/dbraw/zinc/01/45/77/564014577.db2.gz NGFPQRWXILFSLG-LTGZKZEYSA-N 0 0 327.427 5.483 40 0 EKABRN O=C(Nc1nc2c(ccc3ccccc23)s1)c1cccc(Cl)c1 ZINC000006218191 201676654 /nfs/dbraw/zinc/67/66/54/201676654.db2.gz BRAROSIVNXQATR-UHFFFAOYSA-N 0 0 338.819 5.355 40 0 EKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cccc(F)c1 ZINC000006221168 564014583 /nfs/dbraw/zinc/01/45/83/564014583.db2.gz NFTIUNSMXZWUNL-UHFFFAOYSA-N 0 0 341.769 5.524 40 0 EKABRN Cc1cccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000006221183 564014607 /nfs/dbraw/zinc/01/46/07/564014607.db2.gz KBAWGUUBHFNLCV-UHFFFAOYSA-N 0 0 337.806 5.693 40 0 EKABRN O=C(Nc1ccccc1Cl)/C(=C/c1ccccc1)c1ccccc1 ZINC000006222559 564014586 /nfs/dbraw/zinc/01/45/86/564014586.db2.gz WYKAPOKIIGKQPJ-OBGWFSINSA-N 0 0 333.818 5.519 40 0 EKABRN Clc1ccc(-c2nc(SCc3ccccc3Cl)n[nH]2)cc1 ZINC000006227086 564125793 /nfs/dbraw/zinc/12/57/93/564125793.db2.gz JQCPBPNVGHPPRP-UHFFFAOYSA-N 0 0 336.247 5.071 40 0 EKABRN Clc1cccc(-c2nnc(SCc3ccccc3Cl)o2)c1 ZINC000006227091 210602896 /nfs/dbraw/zinc/60/28/96/210602896.db2.gz HXBCZGYYPDHMDB-UHFFFAOYSA-N 0 0 337.231 5.336 40 0 EKABRN Clc1ccc(-c2csc3nnc(-c4ccccc4)n23)cc1Cl ZINC000006229432 201676442 /nfs/dbraw/zinc/67/64/42/201676442.db2.gz QQGXDJKLPWNDEI-UHFFFAOYSA-N 0 0 346.242 5.432 40 0 EKABRN O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CCCc2ccccc21 ZINC000006229545 563561701 /nfs/dbraw/zinc/56/17/01/563561701.db2.gz MNTGZYJYCDMSFD-INIZCTEOSA-N 0 0 335.234 5.193 40 0 EKABRN O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CCCc2ccccc21 ZINC000006229559 563561755 /nfs/dbraw/zinc/56/17/55/563561755.db2.gz MNTGZYJYCDMSFD-MRXNPFEDSA-N 0 0 335.234 5.193 40 0 EKABRN CCc1cccc(C)c1NC(=O)COc1ccccc1-c1ccccc1 ZINC000006231653 257866749 /nfs/dbraw/zinc/86/67/49/257866749.db2.gz VTMIMIFOEXPCPA-UHFFFAOYSA-N 0 0 345.442 5.242 40 0 EKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)N[C@H]1CCCc2ccccc21 ZINC000006232017 563561722 /nfs/dbraw/zinc/56/17/22/563561722.db2.gz TZBBNWLBJHEPCO-CKDFRHGISA-N 0 0 346.257 5.200 40 0 EKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)N[C@@H]1CCCc2ccccc21 ZINC000006232018 563561918 /nfs/dbraw/zinc/56/19/18/563561918.db2.gz TZBBNWLBJHEPCO-SXAWMYDMSA-N 0 0 346.257 5.200 40 0 EKABRN O=C(CCSc1ccc(Cl)cc1)N[C@H]1CCCc2ccccc21 ZINC000006232075 563562023 /nfs/dbraw/zinc/56/20/23/563562023.db2.gz HBOOXMSGPZIEQR-SFHVURJKSA-N 0 0 345.895 5.016 40 0 EKABRN O=C(CCSc1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 ZINC000006232076 563561830 /nfs/dbraw/zinc/56/18/30/563561830.db2.gz HBOOXMSGPZIEQR-GOSISDBHSA-N 0 0 345.895 5.016 40 0 EKABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccccc1C(C)C ZINC000006232105 563561992 /nfs/dbraw/zinc/56/19/92/563561992.db2.gz HKWARAVPPBKWDI-UHFFFAOYSA-N 0 0 325.452 5.259 40 0 EKABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc2ccccc2c1 ZINC000006232149 563561949 /nfs/dbraw/zinc/56/19/49/563561949.db2.gz SYDIWKBBGLRZMZ-UHFFFAOYSA-N 0 0 333.431 5.289 40 0 EKABRN Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000006233931 564125790 /nfs/dbraw/zinc/12/57/90/564125790.db2.gz GNGFJJXCYQAPNJ-UHFFFAOYSA-N 0 0 345.442 5.443 40 0 EKABRN Cc1cccc(C(C)C)c1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000006234485 564014610 /nfs/dbraw/zinc/01/46/10/564014610.db2.gz MICOSNHVKFMMSO-NTCAYCPXSA-N 0 0 335.491 6.068 40 0 EKABRN O=C(Cc1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006237049 564066306 /nfs/dbraw/zinc/06/63/06/564066306.db2.gz HVCMGJNPSANSIH-UHFFFAOYSA-N 0 0 345.486 5.336 40 0 EKABRN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccc(F)c1 ZINC000006237058 201676059 /nfs/dbraw/zinc/67/60/59/201676059.db2.gz NNHKINZSQJWNTL-UHFFFAOYSA-N 0 0 349.449 5.546 40 0 EKABRN CC(=O)c1cccc(NC(=S)Nc2ccc(Cl)cc2Cl)c1 ZINC000006238658 563561883 /nfs/dbraw/zinc/56/18/83/563561883.db2.gz ZNTMJTJFMBRPBA-UHFFFAOYSA-N 0 0 339.247 5.005 40 0 EKABRN CC(=O)c1ccccc1NC(=S)Nc1ccc(Cl)cc1Cl ZINC000006238669 210605370 /nfs/dbraw/zinc/60/53/70/210605370.db2.gz UFHPPRRWHJANEA-UHFFFAOYSA-N 0 0 339.247 5.005 40 0 EKABRN COc1ccc(Cl)cc1NC(=S)Nc1ccc(C(C)C)cc1 ZINC000006239287 563561840 /nfs/dbraw/zinc/56/18/40/563561840.db2.gz IHZOORMDFYTVRQ-UHFFFAOYSA-N 0 0 334.872 5.281 40 0 EKABRN CC(C)c1ccc(NC(=S)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000006239295 563561973 /nfs/dbraw/zinc/56/19/73/563561973.db2.gz FSGALIXHTFNZMI-UHFFFAOYSA-N 0 0 326.509 5.916 40 0 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5.101 40 0 EKABRN CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1ccc(Cl)cc1 ZINC000008478208 564002691 /nfs/dbraw/zinc/00/26/91/564002691.db2.gz KJILCHJWJQHKTR-GOSISDBHSA-N 0 0 345.870 5.261 40 0 EKABRN CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1ccc(Cl)cc1 ZINC000008478212 564002675 /nfs/dbraw/zinc/00/26/75/564002675.db2.gz KJILCHJWJQHKTR-SFHVURJKSA-N 0 0 345.870 5.261 40 0 EKABRN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000008478584 257863476 /nfs/dbraw/zinc/86/34/76/257863476.db2.gz YXKABMOQWDULKN-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000008478587 564016222 /nfs/dbraw/zinc/01/62/22/564016222.db2.gz YXKABMOQWDULKN-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C ZINC000008478707 564016223 /nfs/dbraw/zinc/01/62/23/564016223.db2.gz XDHUCRGWZXXWDB-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C ZINC000008478711 564016204 /nfs/dbraw/zinc/01/62/04/564016204.db2.gz XDHUCRGWZXXWDB-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000008479459 564016217 /nfs/dbraw/zinc/01/62/17/564016217.db2.gz GAFZXICYBLNUKN-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000008479461 564016216 /nfs/dbraw/zinc/01/62/16/564016216.db2.gz GAFZXICYBLNUKN-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN CC(C)Oc1cccc(NC(=O)c2ccccc2SC(C)C)c1 ZINC000008479913 564127442 /nfs/dbraw/zinc/12/74/42/564127442.db2.gz ZNYVGDCKENVLQG-UHFFFAOYSA-N 0 0 329.465 5.227 40 0 EKABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(C)cccc1C(C)C ZINC000008479992 564127437 /nfs/dbraw/zinc/12/74/37/564127437.db2.gz KHUXVXRVGMLVBI-SFHVURJKSA-N 0 0 345.870 5.568 40 0 EKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(C)cccc1C(C)C ZINC000008479997 564127448 /nfs/dbraw/zinc/12/74/48/564127448.db2.gz KHUXVXRVGMLVBI-GOSISDBHSA-N 0 0 345.870 5.568 40 0 EKABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000008480316 564004175 /nfs/dbraw/zinc/00/41/75/564004175.db2.gz SJVDKBWLXJUZAD-INIZCTEOSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000008480320 564004172 /nfs/dbraw/zinc/00/41/72/564004172.db2.gz SJVDKBWLXJUZAD-MRXNPFEDSA-N 0 0 338.234 5.098 40 0 EKABRN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000008480344 564127440 /nfs/dbraw/zinc/12/74/40/564127440.db2.gz HRCNHLZIVFQKGO-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000008480348 564127426 /nfs/dbraw/zinc/12/74/26/564127426.db2.gz HRCNHLZIVFQKGO-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(O[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)c(C)c1 ZINC000008480872 564004903 /nfs/dbraw/zinc/00/49/03/564004903.db2.gz SFBABUVTBYBKRU-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(O[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)c(C)c1 ZINC000008480874 564004894 /nfs/dbraw/zinc/00/48/94/564004894.db2.gz SFBABUVTBYBKRU-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN CC(C)Sc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000008481031 564016258 /nfs/dbraw/zinc/01/62/58/564016258.db2.gz BUGMVPYMWWKCQB-UHFFFAOYSA-N 0 0 340.275 5.746 40 0 EKABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1C ZINC000008492641 564127458 /nfs/dbraw/zinc/12/74/58/564127458.db2.gz HCIUYBJDDVFRFW-INIZCTEOSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1C ZINC000008492647 564127473 /nfs/dbraw/zinc/12/74/73/564127473.db2.gz HCIUYBJDDVFRFW-MRXNPFEDSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1c(Cl)cccc1Cl ZINC000008492784 564016247 /nfs/dbraw/zinc/01/62/47/564016247.db2.gz WCXZFJSDKTZNAF-HNNXBMFYSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1c(Cl)cccc1Cl ZINC000008492788 564016240 /nfs/dbraw/zinc/01/62/40/564016240.db2.gz WCXZFJSDKTZNAF-OAHLLOKOSA-N 0 0 338.234 5.098 40 0 EKABRN CCCCc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 ZINC000008492952 564016266 /nfs/dbraw/zinc/01/62/66/564016266.db2.gz AYOSEPCHBZFXPL-QGZVFWFLSA-N 0 0 325.452 5.052 40 0 EKABRN CCCCc1ccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 ZINC000008492959 257863449 /nfs/dbraw/zinc/86/34/49/257863449.db2.gz AYOSEPCHBZFXPL-KRWDZBQOSA-N 0 0 325.452 5.052 40 0 EKABRN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1c(C)cccc1C(C)C ZINC000008494007 564005117 /nfs/dbraw/zinc/00/51/17/564005117.db2.gz RVJGQHWRSWJUDU-IBGZPJMESA-N 0 0 325.452 5.223 40 0 EKABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1c(C)cccc1C(C)C ZINC000008494019 564005112 /nfs/dbraw/zinc/00/51/12/564005112.db2.gz RVJGQHWRSWJUDU-LJQANCHMSA-N 0 0 325.452 5.223 40 0 EKABRN CC(C)Sc1ccccc1C(=O)Nc1ccccc1-c1ccccc1 ZINC000008495261 564127504 /nfs/dbraw/zinc/12/75/04/564127504.db2.gz HEQJATYZOHIOSK-UHFFFAOYSA-N 0 0 347.483 6.106 40 0 EKABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc21 ZINC000008495650 564127492 /nfs/dbraw/zinc/12/74/92/564127492.db2.gz TXVUUYXYJIPPLZ-IBGZPJMESA-N 0 0 339.822 5.289 40 0 EKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc21 ZINC000008495661 564127508 /nfs/dbraw/zinc/12/75/08/564127508.db2.gz TXVUUYXYJIPPLZ-LJQANCHMSA-N 0 0 339.822 5.289 40 0 EKABRN CCCCc1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2)cc1 ZINC000008496140 564127507 /nfs/dbraw/zinc/12/75/07/564127507.db2.gz HGMOAVHBBNWUFT-HXUWFJFHSA-N 0 0 325.452 5.134 40 0 EKABRN CCCCc1ccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2)cc1 ZINC000008496144 564127511 /nfs/dbraw/zinc/12/75/11/564127511.db2.gz HGMOAVHBBNWUFT-FQEVSTJZSA-N 0 0 325.452 5.134 40 0 EKABRN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008496258 564127495 /nfs/dbraw/zinc/12/74/95/564127495.db2.gz SXWTVGKUHLXTTC-QFIPXVFZSA-N 0 0 345.442 5.458 40 0 EKABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008496261 564127503 /nfs/dbraw/zinc/12/75/03/564127503.db2.gz SXWTVGKUHLXTTC-JOCHJYFZSA-N 0 0 345.442 5.458 40 0 EKABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c(C)c1 ZINC000008496323 564127490 /nfs/dbraw/zinc/12/74/90/564127490.db2.gz SEACIQCFZAUARK-SFHVURJKSA-N 0 0 345.442 5.376 40 0 EKABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)c(C)c1 ZINC000008496326 564127497 /nfs/dbraw/zinc/12/74/97/564127497.db2.gz SEACIQCFZAUARK-GOSISDBHSA-N 0 0 345.442 5.376 40 0 EKABRN Cc1ccc(O[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1C ZINC000008496396 564127486 /nfs/dbraw/zinc/12/74/86/564127486.db2.gz FYWWNNHHCRSNEE-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(O[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1C ZINC000008496404 564127500 /nfs/dbraw/zinc/12/75/00/564127500.db2.gz FYWWNNHHCRSNEE-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN CC(C)Sc1ccccc1C(=O)Nc1c(Cl)cccc1Cl ZINC000008496777 564127502 /nfs/dbraw/zinc/12/75/02/564127502.db2.gz NCCZLOMCOAFFEP-UHFFFAOYSA-N 0 0 340.275 5.746 40 0 EKABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2ccccc2c1 ZINC000008498656 564011683 /nfs/dbraw/zinc/01/16/83/564011683.db2.gz LZBPYJWHRQUCDE-IBGZPJMESA-N 0 0 339.822 5.289 40 0 EKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2ccccc2c1 ZINC000008498659 564011693 /nfs/dbraw/zinc/01/16/93/564011693.db2.gz LZBPYJWHRQUCDE-LJQANCHMSA-N 0 0 339.822 5.289 40 0 EKABRN CCSc1ccccc1C(=O)Nc1ccccc1-c1ccccc1 ZINC000008498716 564012010 /nfs/dbraw/zinc/01/20/10/564012010.db2.gz VRODQGVMGPAVII-UHFFFAOYSA-N 0 0 333.456 5.718 40 0 EKABRN CCCCc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 ZINC000008498967 564016291 /nfs/dbraw/zinc/01/62/91/564016291.db2.gz JYTWGQWTSCCITE-QGZVFWFLSA-N 0 0 325.452 5.052 40 0 EKABRN CCCCc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 ZINC000008498970 564016295 /nfs/dbraw/zinc/01/62/95/564016295.db2.gz JYTWGQWTSCCITE-KRWDZBQOSA-N 0 0 325.452 5.052 40 0 EKABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1C ZINC000008499459 564127515 /nfs/dbraw/zinc/12/75/15/564127515.db2.gz ZRTMUDUMKNREKM-INIZCTEOSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1C ZINC000008499463 564012971 /nfs/dbraw/zinc/01/29/71/564012971.db2.gz ZRTMUDUMKNREKM-MRXNPFEDSA-N 0 0 338.234 5.098 40 0 EKABRN Cc1ccc(SCCNC(=O)c2ccccc2SC(C)C)cc1 ZINC000008499744 564127526 /nfs/dbraw/zinc/12/75/26/564127526.db2.gz POWZXZPOEXQNRZ-UHFFFAOYSA-N 0 0 345.533 5.018 40 0 EKABRN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000008499779 564016298 /nfs/dbraw/zinc/01/62/98/564016298.db2.gz ICAVDFBIONZSJG-QGZVFWFLSA-N 0 0 325.452 5.141 40 0 EKABRN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000008499783 564016279 /nfs/dbraw/zinc/01/62/79/564016279.db2.gz ICAVDFBIONZSJG-KRWDZBQOSA-N 0 0 325.452 5.141 40 0 EKABRN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000008499925 564016300 /nfs/dbraw/zinc/01/63/00/564016300.db2.gz UXPSDGWZPZSINR-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000008499927 564016333 /nfs/dbraw/zinc/01/63/33/564016333.db2.gz UXPSDGWZPZSINR-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN C[C@@H]1Cc2ccccc2N1C(=O)Cc1coc2ccc3ccccc3c12 ZINC000008534472 563631885 /nfs/dbraw/zinc/63/18/85/563631885.db2.gz WPPSHAYIVQBAOQ-OAHLLOKOSA-N 0 0 341.410 5.106 40 0 EKABRN C[C@H]1Cc2ccccc2N1C(=O)Cc1coc2ccc3ccccc3c12 ZINC000008535511 563631938 /nfs/dbraw/zinc/63/19/38/563631938.db2.gz WPPSHAYIVQBAOQ-HNNXBMFYSA-N 0 0 341.410 5.106 40 0 EKABRN CC(C)Sc1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000008558459 564127516 /nfs/dbraw/zinc/12/75/16/564127516.db2.gz XAJBPUIBFWTAJF-UHFFFAOYSA-N 0 0 339.382 5.458 40 0 EKABRN O=C(Nc1nc2cc(Cl)ccc2s1)c1cccc2ccccc21 ZINC000008560674 210964454 /nfs/dbraw/zinc/96/44/54/210964454.db2.gz BMLYVTYLSMOKEM-UHFFFAOYSA-N 0 0 338.819 5.355 40 0 EKABRN O=C(Nc1nc2cc(Cl)ccc2s1)c1ccc2ccccc2c1 ZINC000008560675 564016389 /nfs/dbraw/zinc/01/63/89/564016389.db2.gz OXNJNPQNHIIPNE-UHFFFAOYSA-N 0 0 338.819 5.355 40 0 EKABRN Cc1nn2c(nc(C)cc2-c2ccccc2)c1-c1cccc(Cl)c1 ZINC000008569779 563632544 /nfs/dbraw/zinc/63/25/44/563632544.db2.gz DOENOYLAZNVXJF-UHFFFAOYSA-N 0 0 333.822 5.334 40 0 EKABRN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C(C)C[C@H]2c1ccco1 ZINC000008570236 564016407 /nfs/dbraw/zinc/01/64/07/564016407.db2.gz VAAGMIXZJXWIRO-HNNXBMFYSA-N 0 0 325.799 5.190 40 0 EKABRN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C(C)C[C@@H]2c1ccco1 ZINC000008570237 257862938 /nfs/dbraw/zinc/86/29/38/257862938.db2.gz VAAGMIXZJXWIRO-OAHLLOKOSA-N 0 0 325.799 5.190 40 0 EKABRN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C(C)C[C@H]2c1cccs1 ZINC000008570238 564016396 /nfs/dbraw/zinc/01/63/96/564016396.db2.gz VNDOHJNLOARPFX-HNNXBMFYSA-N 0 0 341.867 5.659 40 0 EKABRN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C(C)C[C@@H]2c1cccs1 ZINC000008570239 564016402 /nfs/dbraw/zinc/01/64/02/564016402.db2.gz VNDOHJNLOARPFX-OAHLLOKOSA-N 0 0 341.867 5.659 40 0 EKABRN Cc1ccccc1OCC(=O)Nc1ccccc1Sc1ccccc1 ZINC000008571557 564013529 /nfs/dbraw/zinc/01/35/29/564013529.db2.gz ZAOXQJXIGCLPAR-UHFFFAOYSA-N 0 0 349.455 5.164 40 0 EKABRN O=C(O[C@H](c1ccccc1)c1ccc2ccccc2n1)c1ccccc1 ZINC000008581618 563633008 /nfs/dbraw/zinc/63/30/08/563633008.db2.gz FUHJKUSVHGVBQS-JOCHJYFZSA-N 0 0 339.394 5.181 40 0 EKABRN CCCCC/C(=C\c1ccccc1)C1OCC(CC)(CCCC)CO1 ZINC000008613411 210973928 /nfs/dbraw/zinc/97/39/28/210973928.db2.gz UKJJZMUSORNXLB-HEHNFIMWSA-N 0 0 344.539 6.610 40 0 EKABRN CCCCOc1ccc(/C=C\C(=O)OC[C@@H](CC)CCCC)cc1 ZINC000008622536 563633605 /nfs/dbraw/zinc/63/36/05/563633605.db2.gz NWSWTXGGTKZDFO-NZHZHZHDSA-N 0 0 332.484 5.638 40 0 EKABRN COc1ccc([C@@H](Nc2ccccc2)Sc2ccc(C)cc2)cc1 ZINC000008627242 563633687 /nfs/dbraw/zinc/63/36/87/563633687.db2.gz GEIJCULFODZECO-NRFANRHFSA-N 0 0 335.472 5.907 40 0 EKABRN S=c1[nH]nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000008628060 563633653 /nfs/dbraw/zinc/63/36/53/563633653.db2.gz LBLGDKGQEWIDHT-UHFFFAOYSA-N 0 0 340.451 6.140 40 0 EKABRN C(=C\c1ncc(-c2ccccc2)cc1-c1ccccc1)\c1ccccc1 ZINC000008652579 563634196 /nfs/dbraw/zinc/63/41/96/563634196.db2.gz TZFVUFCCZYLKLS-MSUUIHNZSA-N 0 0 333.434 6.586 40 0 EKABRN O[C@@](/C=C\c1ccccc1)(c1nc2ccccc2s1)c1ccccc1 ZINC000008652627 563634206 /nfs/dbraw/zinc/63/42/06/563634206.db2.gz LXUNHGPWRBNEMY-XOAGPTPASA-N 0 0 343.451 5.246 40 0 EKABRN CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1cccc(C)c1C ZINC000008654258 563634282 /nfs/dbraw/zinc/63/42/82/563634282.db2.gz IOEOTVQJYCFVPB-MRCUWXFGSA-N 0 0 338.476 5.094 40 0 EKABRN CCOc1cc(C=O)c(Sc2ccc(Cl)cc2)cc1OCC ZINC000008729780 564016423 /nfs/dbraw/zinc/01/64/23/564016423.db2.gz NHWVTHHYINOQHI-UHFFFAOYSA-N 0 0 336.840 5.101 40 0 EKABRN Nc1c(-c2ccc(Cl)cc2)c(-c2ccco2)nn1-c1ccccc1 ZINC000008730742 564013636 /nfs/dbraw/zinc/01/36/36/564013636.db2.gz JFEUENMOQMSBHL-UHFFFAOYSA-N 0 0 335.794 5.035 40 0 EKABRN Nc1cc(-c2nc3cc(Cl)cc(Cl)c3o2)c(Cl)cc1Cl ZINC000008732289 206532593 /nfs/dbraw/zinc/53/25/93/206532593.db2.gz NLYJTWMJVWMTHC-UHFFFAOYSA-N 0 0 348.016 5.691 40 0 EKABRN Cc1ccccc1CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000008812503 564016506 /nfs/dbraw/zinc/01/65/06/564016506.db2.gz KVPVPXXQWJYOEJ-UHFFFAOYSA-N 0 0 338.476 5.635 40 0 EKABRN CC(C)(C)c1ccc(-c2nnc(SCc3ccc(F)cc3)o2)cc1 ZINC000008812538 564017069 /nfs/dbraw/zinc/01/70/69/564017069.db2.gz GBZYYBPYAPMUPX-UHFFFAOYSA-N 0 0 342.439 5.466 40 0 EKABRN C1=C[C@H]2C[C@@H]1CC21COC(c2ccc3oc4ccccc4c3c2)OC1 ZINC000008816134 211009242 /nfs/dbraw/zinc/00/92/42/211009242.db2.gz XKPRGYDWDGPTBV-SZXFGGEGSA-N 0 0 332.399 5.214 40 0 EKABRN C1=C[C@@H]2C[C@H]1CC21COC(c2ccc3oc4ccccc4c3c2)OC1 ZINC000008816471 211009089 /nfs/dbraw/zinc/00/90/89/211009089.db2.gz XKPRGYDWDGPTBV-ILKURSCPSA-N 0 0 332.399 5.214 40 0 EKABRN Cc1ccc2[nH]c(-c3ccc(NC(=O)c4ccccc4C)cc3)nc2c1 ZINC000008833474 211009819 /nfs/dbraw/zinc/00/98/19/211009819.db2.gz FOOWPODPHDNLGP-UHFFFAOYSA-N 0 0 341.414 5.099 40 0 EKABRN CC(C)CC(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 ZINC000008902946 564016539 /nfs/dbraw/zinc/01/65/39/564016539.db2.gz XXIBHLGNQJSURH-UHFFFAOYSA-N 0 0 336.435 5.603 40 0 EKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)cc1 ZINC000008902948 211015005 /nfs/dbraw/zinc/01/50/05/211015005.db2.gz XNOFVBQYSNEXFH-UHFFFAOYSA-N 0 0 348.324 5.119 40 0 EKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)cc1 ZINC000008902962 257863013 /nfs/dbraw/zinc/86/30/13/257863013.db2.gz JCAUFBMRYZWSHF-UHFFFAOYSA-N 0 0 346.386 5.464 40 0 EKABRN CC(C)(C)c1ccc(-c2nc(Nc3ccc(Cl)cc3)n[nH]2)cc1 ZINC000008903511 564016522 /nfs/dbraw/zinc/01/65/22/564016522.db2.gz YYLPOEHJHVEKEC-UHFFFAOYSA-N 0 0 326.831 5.166 40 0 EKABRN Clc1ccc(Nc2n[nH]c(-c3cccc(Cl)c3Cl)n2)cc1 ZINC000008903531 257862865 /nfs/dbraw/zinc/86/28/65/257862865.db2.gz KRSAYZOUIOOVQE-UHFFFAOYSA-N 0 0 339.613 5.176 40 0 EKABRN Clc1ccc(Nc2n[nH]c(-c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000008903535 257862677 /nfs/dbraw/zinc/86/26/77/257862677.db2.gz RFMOHVVURHCIIQ-UHFFFAOYSA-N 0 0 339.613 5.176 40 0 EKABRN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000008906372 211016655 /nfs/dbraw/zinc/01/66/55/211016655.db2.gz JPKKVEXRBSZLOE-SFHVURJKSA-N 0 0 345.442 5.376 40 0 EKABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000008906373 211016824 /nfs/dbraw/zinc/01/68/24/211016824.db2.gz JPKKVEXRBSZLOE-GOSISDBHSA-N 0 0 345.442 5.376 40 0 EKABRN COc1cccc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)oc21 ZINC000008960587 257862438 /nfs/dbraw/zinc/86/24/38/257862438.db2.gz QTCWVOXPQLIBAE-UHFFFAOYSA-N 0 0 336.174 5.001 40 0 EKABRN COc1cccc2cc(C(=O)Nc3cc(Cl)ccc3Cl)oc21 ZINC000008960606 211024651 /nfs/dbraw/zinc/02/46/51/211024651.db2.gz CJADXPIUJUZUHC-UHFFFAOYSA-N 0 0 336.174 5.001 40 0 EKABRN CCCc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 ZINC000009029463 211031707 /nfs/dbraw/zinc/03/17/07/211031707.db2.gz XPRNYZUBTXKNFL-UHFFFAOYSA-N 0 0 330.840 5.155 40 0 EKABRN Cc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c1 ZINC000009064394 564016698 /nfs/dbraw/zinc/01/66/98/564016698.db2.gz QZNJIKWBFVDFIN-UHFFFAOYSA-N 0 0 342.870 5.137 40 0 EKABRN Cc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1Cl ZINC000009064399 257862363 /nfs/dbraw/zinc/86/23/63/257862363.db2.gz JNCWSNUKSLQBLY-HNNXBMFYSA-N 0 0 342.870 5.280 40 0 EKABRN Cc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1Cl ZINC000009064400 564016692 /nfs/dbraw/zinc/01/66/92/564016692.db2.gz JNCWSNUKSLQBLY-OAHLLOKOSA-N 0 0 342.870 5.280 40 0 EKABRN C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 ZINC000009064423 564016713 /nfs/dbraw/zinc/01/67/13/564016713.db2.gz YSXYZVXEGFLUGY-QGZVFWFLSA-N 0 0 344.458 5.471 40 0 EKABRN C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 ZINC000009064424 257862187 /nfs/dbraw/zinc/86/21/87/257862187.db2.gz YSXYZVXEGFLUGY-KRWDZBQOSA-N 0 0 344.458 5.471 40 0 EKABRN C[C@@H]1CCCCN1c1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000009064435 564016684 /nfs/dbraw/zinc/01/66/84/564016684.db2.gz XBGZEYXZOFQXGT-QGZVFWFLSA-N 0 0 344.458 5.471 40 0 EKABRN C[C@H]1CCCCN1c1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000009064436 564016711 /nfs/dbraw/zinc/01/67/11/564016711.db2.gz XBGZEYXZOFQXGT-KRWDZBQOSA-N 0 0 344.458 5.471 40 0 EKABRN Cc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)c(Cl)c1 ZINC000009064447 257862147 /nfs/dbraw/zinc/86/21/47/257862147.db2.gz SMYXKTBYZPHSRW-HNNXBMFYSA-N 0 0 342.870 5.280 40 0 EKABRN Cc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)c(Cl)c1 ZINC000009064448 564016699 /nfs/dbraw/zinc/01/66/99/564016699.db2.gz SMYXKTBYZPHSRW-OAHLLOKOSA-N 0 0 342.870 5.280 40 0 EKABRN COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C ZINC000009140059 564016706 /nfs/dbraw/zinc/01/67/06/564016706.db2.gz GKDBHHXYMIBYBG-UHFFFAOYSA-N 0 0 333.387 5.048 40 0 EKABRN CC(C)(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 ZINC000009141009 564016719 /nfs/dbraw/zinc/01/67/19/564016719.db2.gz FELHACDDXZQGKJ-UHFFFAOYSA-N 0 0 344.867 5.601 40 0 EKABRN CC(=O)Nc1ccc(Cl)c(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000009141058 257861747 /nfs/dbraw/zinc/86/17/47/257861747.db2.gz LDYZNHNMTLVEMG-UHFFFAOYSA-N 0 0 328.799 5.230 40 0 EKABRN CCCCC(=O)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1Cl ZINC000009141065 564016727 /nfs/dbraw/zinc/01/67/27/564016727.db2.gz VZWCFNDVVVRSEJ-UHFFFAOYSA-N 0 0 342.826 5.585 40 0 EKABRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)CC(C)C)c3)oc2c1 ZINC000009141068 257861948 /nfs/dbraw/zinc/86/19/48/257861948.db2.gz AVBCHFVVJQDLTL-UHFFFAOYSA-N 0 0 342.826 5.441 40 0 EKABRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)C(C)C)c3)oc2c1 ZINC000009141071 564016734 /nfs/dbraw/zinc/01/67/34/564016734.db2.gz CTBREWBOPTZUQN-UHFFFAOYSA-N 0 0 328.799 5.051 40 0 EKABRN Cc1cc2nc(-c3ccc(Cl)c(NC(=O)C(C)C)c3)oc2c(C)c1 ZINC000009141072 564016726 /nfs/dbraw/zinc/01/67/26/564016726.db2.gz WZKHUDWWZBJUNY-UHFFFAOYSA-N 0 0 342.826 5.360 40 0 EKABRN CCc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000009141083 257861944 /nfs/dbraw/zinc/86/19/44/257861944.db2.gz MXRDBMCAKDNYTQ-UHFFFAOYSA-N 0 0 342.398 5.310 40 0 EKABRN CCc1ccc2oc(-c3ccc(NC(=O)c4cccs4)cc3)nc2c1 ZINC000009141089 564016744 /nfs/dbraw/zinc/01/67/44/564016744.db2.gz ZJIIIXJYVDMDTJ-UHFFFAOYSA-N 0 0 348.427 5.371 40 0 EKABRN CC(C)c1ccc2oc(-c3ccc(NC(=O)C(C)(C)C)cc3)nc2c1 ZINC000009141093 257861717 /nfs/dbraw/zinc/86/17/17/257861717.db2.gz AMYHCBFEUZTOCJ-UHFFFAOYSA-N 0 0 336.435 5.603 40 0 EKABRN CCc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 ZINC000009141130 257861990 /nfs/dbraw/zinc/86/19/90/257861990.db2.gz BQAZOLLOHSPTCV-UHFFFAOYSA-N 0 0 342.398 5.310 40 0 EKABRN CCCCCC(=O)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1C ZINC000009141162 564016747 /nfs/dbraw/zinc/01/67/47/564016747.db2.gz ZPHOHLYXNVQNND-UHFFFAOYSA-N 0 0 336.435 5.630 40 0 EKABRN CCCCCC(=O)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1C ZINC000009141163 564016759 /nfs/dbraw/zinc/01/67/59/564016759.db2.gz TVHMNWXCSGFUHB-UHFFFAOYSA-N 0 0 336.435 5.630 40 0 EKABRN Cc1cc2nc(-c3ccc(C)c(NC(=O)C(C)(C)C)c3)oc2c(C)c1 ZINC000009141167 564016763 /nfs/dbraw/zinc/01/67/63/564016763.db2.gz KTPDIPKDUJJUTQ-UHFFFAOYSA-N 0 0 336.435 5.405 40 0 EKABRN CCc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1 ZINC000009141200 568414967 /nfs/dbraw/zinc/41/49/67/568414967.db2.gz IXIRORDVBAKRLM-UHFFFAOYSA-N 0 0 330.840 5.073 40 0 EKABRN Cc1ccc(C)c2sc(NC(=O)c3ccc(C)c(Cl)c3)nc21 ZINC000009141216 564016774 /nfs/dbraw/zinc/01/67/74/564016774.db2.gz OVKGBFADHKDBKM-UHFFFAOYSA-N 0 0 330.840 5.127 40 0 EKABRN CCc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000009141282 211044107 /nfs/dbraw/zinc/04/41/07/211044107.db2.gz DHBDIVUQLNFTEF-UHFFFAOYSA-N 0 0 342.851 5.278 40 0 EKABRN CCc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1 ZINC000009141295 257861671 /nfs/dbraw/zinc/86/16/71/257861671.db2.gz SJTXTNGUXHEFMS-UHFFFAOYSA-N 0 0 342.398 5.310 40 0 EKABRN Cc1ccc(-c2nc3cc(NC(=O)c4cccc(F)c4)ccc3o2)cc1 ZINC000009141301 564016764 /nfs/dbraw/zinc/01/67/64/564016764.db2.gz XOXOTLTWFAYDFJ-UHFFFAOYSA-N 0 0 346.361 5.195 40 0 EKABRN CCc1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)cc1 ZINC000009141302 257861715 /nfs/dbraw/zinc/86/17/15/257861715.db2.gz BHXXFHHQTDBSHS-UHFFFAOYSA-N 0 0 348.427 5.371 40 0 EKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)c1 ZINC000009141320 564016769 /nfs/dbraw/zinc/01/67/69/564016769.db2.gz YVSYPXUKQZHBTN-UHFFFAOYSA-N 0 0 348.427 5.425 40 0 EKABRN CCCCCC(=O)Nc1ccc2oc(-c3ccc(C)cc3C)nc2c1 ZINC000009141328 564016760 /nfs/dbraw/zinc/01/67/60/564016760.db2.gz PJNIYWPFPXSHSZ-UHFFFAOYSA-N 0 0 336.435 5.630 40 0 EKABRN Cc1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)c(C)c1 ZINC000009141331 257861752 /nfs/dbraw/zinc/86/17/52/257861752.db2.gz SJNFRCUXWIFMLN-UHFFFAOYSA-N 0 0 348.427 5.425 40 0 EKABRN CCCCC(=O)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000009141340 564016772 /nfs/dbraw/zinc/01/67/72/564016772.db2.gz SIUXRZTWIIOHAH-UHFFFAOYSA-N 0 0 344.414 5.777 40 0 EKABRN CC(C)(C)C(=O)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000009141344 257861817 /nfs/dbraw/zinc/86/18/17/257861817.db2.gz CCMQQUATXCXYLG-UHFFFAOYSA-N 0 0 344.414 5.633 40 0 EKABRN CC(C)(C)C(=O)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 ZINC000009141345 257861945 /nfs/dbraw/zinc/86/19/45/257861945.db2.gz QPNLPQCRDLPSBT-UHFFFAOYSA-N 0 0 344.414 5.633 40 0 EKABRN CC(C)(C)C(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000009141358 564016757 /nfs/dbraw/zinc/01/67/57/564016757.db2.gz CYDBXZUSDULTDF-UHFFFAOYSA-N 0 0 328.799 5.133 40 0 EKABRN Cc1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)c(Cl)c1 ZINC000009141360 564016753 /nfs/dbraw/zinc/01/67/53/564016753.db2.gz VKWPBFAOQOPUQL-UHFFFAOYSA-N 0 0 328.799 5.051 40 0 EKABRN Cc1ccc(-c2nc3cc(NC(=O)C(C)(C)C)ccc3o2)c(Cl)c1 ZINC000009141363 564016765 /nfs/dbraw/zinc/01/67/65/564016765.db2.gz VNGBWXPBGXCTNQ-UHFFFAOYSA-N 0 0 342.826 5.441 40 0 EKABRN CC[C@@H](C)c1ccccc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000009141444 564016762 /nfs/dbraw/zinc/01/67/62/564016762.db2.gz NSBWEEBSYVSITI-CQSZACIVSA-N 0 0 337.850 6.259 40 0 EKABRN CC[C@H](C)c1ccccc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000009141445 564016775 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257861669 /nfs/dbraw/zinc/86/16/69/257861669.db2.gz SJDYFGXICKZCPN-UHFFFAOYSA-N 0 0 346.213 5.408 40 0 EKABRN CCOc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 ZINC000009141511 564016807 /nfs/dbraw/zinc/01/68/07/564016807.db2.gz UMBLLESFRMLDDH-UHFFFAOYSA-N 0 0 325.795 5.144 40 0 EKABRN COc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1Cl ZINC000009141517 257861881 /nfs/dbraw/zinc/86/18/81/257861881.db2.gz XDQNUQVOZOSUIL-UHFFFAOYSA-N 0 0 346.213 5.408 40 0 EKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(Cl)c1C ZINC000009141618 257861828 /nfs/dbraw/zinc/86/18/28/257861828.db2.gz LCJDMLBMTKXMAE-UHFFFAOYSA-N 0 0 344.625 5.216 40 0 EKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1c(C)cc(C)cc1C ZINC000009141660 564016778 /nfs/dbraw/zinc/01/67/78/564016778.db2.gz PNPBGTNYOONDNV-UHFFFAOYSA-N 0 0 338.234 5.180 40 0 EKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000009141671 564016783 /nfs/dbraw/zinc/01/67/83/564016783.db2.gz MYXLAJDIKMECOP-UHFFFAOYSA-N 0 0 348.588 5.047 40 0 EKABRN CCc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000009141675 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ZINC000012249492 564127862 /nfs/dbraw/zinc/12/78/62/564127862.db2.gz AXGOKZDFAACQRL-UHFFFAOYSA-N 0 0 348.427 5.094 40 0 EKABRN O=C(Nc1cccc2ccccc21)C1[C@@H]2CC/C=C/CC/C=C\CC[C@@H]12 ZINC000012360374 211355681 /nfs/dbraw/zinc/35/56/81/211355681.db2.gz LDWOCVLKNFPNQW-WRAFIADBSA-N 0 0 345.486 6.107 40 0 EKABRN CC(C)=CCC/C(C)=C\COc1c2ccoc2cc2oc(=O)ccc21 ZINC000012363891 211356041 /nfs/dbraw/zinc/35/60/41/211356041.db2.gz DBMJZOMNXBSRED-DHDCSXOGSA-N 0 0 338.403 5.611 40 0 endogenous,in-man EKABRN Cc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc32)cc1 ZINC000012374228 211358976 /nfs/dbraw/zinc/35/89/76/211358976.db2.gz SVNQTOHVIQOSHR-HIXSDJFHSA-N 0 0 345.829 6.294 40 0 EKABRN COc1ccc(-c2c/c(=N/c3ccccc3)c3cc(C)ccc3o2)cc1 ZINC000012374310 211358679 /nfs/dbraw/zinc/35/86/79/211358679.db2.gz LTNFGBDLIDIUFI-FLFQWRMESA-N 0 0 341.410 5.649 40 0 EKABRN O=C(Oc1ccc2ccccc2c1)C1[C@@H]2CCC[C@H]1C2c1ccccc1 ZINC000012376122 211360319 /nfs/dbraw/zinc/36/03/19/211360319.db2.gz VPFRMRZCVGQFNH-OIRDZHBESA-N 0 0 342.438 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ZINC000013283820 563693899 /nfs/dbraw/zinc/69/38/99/563693899.db2.gz ZEPPQEHKMNYPQR-UHFFFAOYSA-N 0 0 337.426 5.090 40 0 EKABRN C[C@H]1[C@H](NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCC[C@@H]1C ZINC000013320459 564136220 /nfs/dbraw/zinc/13/62/20/564136220.db2.gz LVOWNOMWHJFPAW-OPQQBVKSSA-N 0 0 348.796 5.305 40 0 EKABRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320461 201889821 /nfs/dbraw/zinc/88/98/21/201889821.db2.gz LVOWNOMWHJFPAW-CWSCBRNRSA-N 0 0 348.796 5.305 40 0 EKABRN COc1ccc2c(c1)OCc1c3cc4c(cc3oc1-2)OC(C)(C)C=C4 ZINC000013360793 211549738 /nfs/dbraw/zinc/54/97/38/211549738.db2.gz SZUPCOMPPYQJSI-UHFFFAOYSA-N 0 0 334.371 5.185 40 0 biogenic,in-vitro EKABRN CCCCCn1cc(Cc2cccc3ccccc32)c2ccccc21 ZINC000013476519 563699067 /nfs/dbraw/zinc/69/90/67/563699067.db2.gz TYBRSILIYTUTSQ-UHFFFAOYSA-N 0 0 327.471 6.576 40 0 in-vitro EKABRN CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)OCC ZINC000013507200 211569818 /nfs/dbraw/zinc/56/98/18/211569818.db2.gz SNXPWYFWAZVIAU-WIEQBXDCSA-N 0 0 332.528 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/nfs/dbraw/zinc/71/45/80/563714580.db2.gz HDHKQMWEMROBCN-SECBINFHSA-N 0 0 344.625 5.053 40 0 EKABRN C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1Cl ZINC000013709971 563714589 /nfs/dbraw/zinc/71/45/89/563714589.db2.gz HDHKQMWEMROBCN-VIFPVBQESA-N 0 0 344.625 5.053 40 0 EKABRN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1c(Cl)cccc1Cl ZINC000013710059 211616070 /nfs/dbraw/zinc/61/60/70/211616070.db2.gz CEJDPZYKFDXOPU-SECBINFHSA-N 0 0 344.625 5.053 40 0 EKABRN C[C@H](Oc1ccccc1Cl)C(=O)Nc1c(Cl)cccc1Cl ZINC000013710061 563714511 /nfs/dbraw/zinc/71/45/11/563714511.db2.gz CEJDPZYKFDXOPU-VIFPVBQESA-N 0 0 344.625 5.053 40 0 EKABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000013710290 211617995 /nfs/dbraw/zinc/61/79/95/211617995.db2.gz AAYHUQIBGPMKJW-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000013710292 563714527 /nfs/dbraw/zinc/71/45/27/563714527.db2.gz AAYHUQIBGPMKJW-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000013710308 563714936 /nfs/dbraw/zinc/71/49/36/563714936.db2.gz LLCJPWDGGBTLTL-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000013710310 563714933 /nfs/dbraw/zinc/71/49/33/563714933.db2.gz LLCJPWDGGBTLTL-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000013710690 563714918 /nfs/dbraw/zinc/71/49/18/563714918.db2.gz PDOHZDZKAUHBRP-QGZVFWFLSA-N 0 0 325.452 5.141 40 0 EKABRN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000013710691 211618223 /nfs/dbraw/zinc/61/82/23/211618223.db2.gz PDOHZDZKAUHBRP-KRWDZBQOSA-N 0 0 325.452 5.141 40 0 EKABRN CCCCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 ZINC000013710719 563714910 /nfs/dbraw/zinc/71/49/10/563714910.db2.gz HDZCGMPYKOMVRP-QGZVFWFLSA-N 0 0 325.452 5.052 40 0 EKABRN CCCCc1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 ZINC000013710720 563714940 /nfs/dbraw/zinc/71/49/40/563714940.db2.gz HDZCGMPYKOMVRP-KRWDZBQOSA-N 0 0 325.452 5.052 40 0 EKABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000013710732 563714899 /nfs/dbraw/zinc/71/48/99/563714899.db2.gz KASPQKSXFODAIC-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000013710733 563714848 /nfs/dbraw/zinc/71/48/48/563714848.db2.gz KASPQKSXFODAIC-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000013710735 201910876 /nfs/dbraw/zinc/91/08/76/201910876.db2.gz YWMLYBAMBPEEID-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000013710737 201911251 /nfs/dbraw/zinc/91/12/51/201911251.db2.gz YWMLYBAMBPEEID-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000013710867 211618067 /nfs/dbraw/zinc/61/80/67/211618067.db2.gz XTTYFJPCAIUHMJ-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000013710869 211617296 /nfs/dbraw/zinc/61/72/96/211617296.db2.gz XTTYFJPCAIUHMJ-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000013710871 563714886 /nfs/dbraw/zinc/71/48/86/563714886.db2.gz KQXLUMQYAYDXOT-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000013710873 211618060 /nfs/dbraw/zinc/61/80/60/211618060.db2.gz KQXLUMQYAYDXOT-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN O=C(Nc1ccc(CSc2ccccc2)cc1)C1CCCCC1 ZINC000013716905 563715195 /nfs/dbraw/zinc/71/51/95/563715195.db2.gz SVGCZHWLKDWOKM-UHFFFAOYSA-N 0 0 325.477 5.498 40 0 EKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)C1CCCCC1 ZINC000013716908 563715182 /nfs/dbraw/zinc/71/51/82/563715182.db2.gz HVWIFNXELGZNSD-UHFFFAOYSA-N 0 0 339.504 5.806 40 0 EKABRN CSc1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000013717033 563715674 /nfs/dbraw/zinc/71/56/74/563715674.db2.gz NPQLJKQARUZBGB-UHFFFAOYSA-N 0 0 347.483 5.569 40 0 EKABRN Cc1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013717070 563715653 /nfs/dbraw/zinc/71/56/53/563715653.db2.gz ZYTFFKKLLJLEPW-UHFFFAOYSA-N 0 0 332.428 5.830 40 0 in-vivo EKABRN Cc1cccc(C)c1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013717072 563715732 /nfs/dbraw/zinc/71/57/32/563715732.db2.gz GRELEUCSILGSLN-UHFFFAOYSA-N 0 0 346.455 6.138 40 0 EKABRN Cc1ccccc1CNC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013717112 563715762 /nfs/dbraw/zinc/71/57/62/563715762.db2.gz XLFILLPDSZFJNE-UHFFFAOYSA-N 0 0 346.455 5.508 40 0 EKABRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)N1c2ccccc2Sc2ccccc21 ZINC000013717114 563715777 /nfs/dbraw/zinc/71/57/77/563715777.db2.gz AIBNHSXHEALWEQ-RRFJBIMHSA-N 0 0 336.460 5.188 40 0 EKABRN O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)N1c2ccccc2Sc2ccccc21 ZINC000013717116 563715621 /nfs/dbraw/zinc/71/56/21/563715621.db2.gz AIBNHSXHEALWEQ-ZNMIVQPWSA-N 0 0 336.460 5.188 40 0 EKABRN CC(C)C(NC(=O)N1c2ccccc2Sc2ccccc21)C(C)C ZINC000013717118 135702376 /nfs/dbraw/zinc/70/23/76/135702376.db2.gz VRBBAALBSKRJJP-UHFFFAOYSA-N 0 0 340.492 5.680 40 0 EKABRN O=C(Nc1ccccc1F)N1c2ccccc2Sc2ccccc21 ZINC000013717120 563715766 /nfs/dbraw/zinc/71/57/66/563715766.db2.gz CZFSAVQFOYKZNB-UHFFFAOYSA-N 0 0 336.391 5.661 40 0 EKABRN c1sc(Nc2ccccc2)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000013739271 563932548 /nfs/dbraw/zinc/93/25/48/563932548.db2.gz BCMFQYGLAOKHBK-UHFFFAOYSA-N 0 0 344.439 6.346 40 0 EKABRN FC(F)(F)c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1 ZINC000013747937 563720755 /nfs/dbraw/zinc/72/07/55/563720755.db2.gz SUQJOFHFEISSEO-UHFFFAOYSA-N 0 0 330.762 5.168 40 0 EKABRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013774724 563722512 /nfs/dbraw/zinc/72/25/12/563722512.db2.gz LYOKAXBKHWTGTF-OAHLLOKOSA-N 0 0 326.509 5.340 40 0 EKABRN Cc1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013774726 211636507 /nfs/dbraw/zinc/63/65/07/211636507.db2.gz LYOKAXBKHWTGTF-HNNXBMFYSA-N 0 0 326.509 5.340 40 0 EKABRN Cc1cccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 ZINC000013774728 563722502 /nfs/dbraw/zinc/72/25/02/563722502.db2.gz ZATUIZMWRVJBCQ-OAHLLOKOSA-N 0 0 326.509 5.340 40 0 EKABRN Cc1cccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 ZINC000013774730 563722530 /nfs/dbraw/zinc/72/25/30/563722530.db2.gz ZATUIZMWRVJBCQ-HNNXBMFYSA-N 0 0 326.509 5.340 40 0 EKABRN C[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013774735 211636355 /nfs/dbraw/zinc/63/63/55/211636355.db2.gz FKAMKONVXYGGFF-CYBMUJFWSA-N 0 0 346.927 5.685 40 0 EKABRN C[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013774736 563722516 /nfs/dbraw/zinc/72/25/16/563722516.db2.gz FKAMKONVXYGGFF-ZDUSSCGKSA-N 0 0 346.927 5.685 40 0 EKABRN C[C@@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(C(C)(C)C)cc1 ZINC000013774737 563722505 /nfs/dbraw/zinc/72/25/05/563722505.db2.gz DQHDGKVVJKGQNB-CYBMUJFWSA-N 0 0 346.927 5.685 40 0 EKABRN C[C@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(C(C)(C)C)cc1 ZINC000013774739 563722518 /nfs/dbraw/zinc/72/25/18/563722518.db2.gz DQHDGKVVJKGQNB-ZDUSSCGKSA-N 0 0 346.927 5.685 40 0 EKABRN C[C@@H](NC(=S)Nc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000013774740 563722497 /nfs/dbraw/zinc/72/24/97/563722497.db2.gz KNYNUXCPFQOKRH-CYBMUJFWSA-N 0 0 346.927 5.685 40 0 EKABRN C[C@H](NC(=S)Nc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000013774742 563722507 /nfs/dbraw/zinc/72/25/07/563722507.db2.gz KNYNUXCPFQOKRH-ZDUSSCGKSA-N 0 0 346.927 5.685 40 0 EKABRN C[C@@H](NC(=S)Nc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013774744 201915374 /nfs/dbraw/zinc/91/53/74/201915374.db2.gz USCLEOPPYYAJSD-CYBMUJFWSA-N 0 0 330.472 5.171 40 0 EKABRN C[C@H](NC(=S)Nc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013774746 201915731 /nfs/dbraw/zinc/91/57/31/201915731.db2.gz USCLEOPPYYAJSD-ZDUSSCGKSA-N 0 0 330.472 5.171 40 0 EKABRN C[C@@H](NC(=S)Nc1cccc(F)c1)c1ccc(C(C)(C)C)cc1 ZINC000013774748 211636549 /nfs/dbraw/zinc/63/65/49/211636549.db2.gz QPRNLMCFGGJQLT-CYBMUJFWSA-N 0 0 330.472 5.171 40 0 EKABRN C[C@H](NC(=S)Nc1cccc(F)c1)c1ccc(C(C)(C)C)cc1 ZINC000013774749 211635931 /nfs/dbraw/zinc/63/59/31/211635931.db2.gz QPRNLMCFGGJQLT-ZDUSSCGKSA-N 0 0 330.472 5.171 40 0 EKABRN C[C@@H](NC(=S)Nc1ccccc1F)c1ccc(C(C)(C)C)cc1 ZINC000013774750 563722554 /nfs/dbraw/zinc/72/25/54/563722554.db2.gz CCHPZJGINHLEOU-CYBMUJFWSA-N 0 0 330.472 5.171 40 0 EKABRN C[C@H](NC(=S)Nc1ccccc1F)c1ccc(C(C)(C)C)cc1 ZINC000013774752 563722550 /nfs/dbraw/zinc/72/25/50/563722550.db2.gz CCHPZJGINHLEOU-ZDUSSCGKSA-N 0 0 330.472 5.171 40 0 EKABRN COc1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013774754 563722522 /nfs/dbraw/zinc/72/25/22/563722522.db2.gz LZOIDGBTKONUEM-AWEZNQCLSA-N 0 0 342.508 5.040 40 0 EKABRN COc1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013774755 563722572 /nfs/dbraw/zinc/72/25/72/563722572.db2.gz LZOIDGBTKONUEM-CQSZACIVSA-N 0 0 342.508 5.040 40 0 EKABRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1C ZINC000013774793 201915667 /nfs/dbraw/zinc/91/56/67/201915667.db2.gz UAGMQKABAZIUBA-MRXNPFEDSA-N 0 0 340.536 5.649 40 0 EKABRN Cc1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1C ZINC000013774794 211635951 /nfs/dbraw/zinc/63/59/51/211635951.db2.gz UAGMQKABAZIUBA-INIZCTEOSA-N 0 0 340.536 5.649 40 0 EKABRN Cc1cc(C)cc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 ZINC000013774795 563722967 /nfs/dbraw/zinc/72/29/67/563722967.db2.gz XNFJDNOCWUZHQX-MRXNPFEDSA-N 0 0 340.536 5.649 40 0 EKABRN Cc1cc(C)cc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 ZINC000013774797 563722860 /nfs/dbraw/zinc/72/28/60/563722860.db2.gz XNFJDNOCWUZHQX-INIZCTEOSA-N 0 0 340.536 5.649 40 0 EKABRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000013774798 211636067 /nfs/dbraw/zinc/63/60/67/211636067.db2.gz JDHKLMCCSWAINP-MRXNPFEDSA-N 0 0 340.536 5.649 40 0 EKABRN Cc1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000013774799 563722886 /nfs/dbraw/zinc/72/28/86/563722886.db2.gz JDHKLMCCSWAINP-INIZCTEOSA-N 0 0 340.536 5.649 40 0 EKABRN Cc1ccc(C)c(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 ZINC000013774801 201916069 /nfs/dbraw/zinc/91/60/69/201916069.db2.gz GJTBWDJBYAMSCE-MRXNPFEDSA-N 0 0 340.536 5.649 40 0 EKABRN Cc1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 ZINC000013774803 563722910 /nfs/dbraw/zinc/72/29/10/563722910.db2.gz GJTBWDJBYAMSCE-INIZCTEOSA-N 0 0 340.536 5.649 40 0 EKABRN CC(C)(C)c1cc(/C=C2\C(=O)Nc3ccccc32)cc(C(C)(C)C)c1O ZINC000013780154 563723290 /nfs/dbraw/zinc/72/32/90/563723290.db2.gz NUMNJHZZSGKINB-WJDWOHSUSA-N 0 0 349.474 5.480 40 0 EKABRN CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H](C)CO ZINC000013782510 563933237 /nfs/dbraw/zinc/93/32/37/563933237.db2.gz ADRRUPVKLINJKD-FNUGXZCYSA-N 0 0 337.548 5.297 40 0 in-vitro EKABRN S=C(Nc1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl ZINC000013786471 563723239 /nfs/dbraw/zinc/72/32/39/563723239.db2.gz LOLXVXNEOGYOQB-UHFFFAOYSA-N 0 0 331.655 5.456 40 0 EKABRN S=C(Nc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl ZINC000013786476 563723292 /nfs/dbraw/zinc/72/32/92/563723292.db2.gz XOTLGFXALUYMMV-UHFFFAOYSA-N 0 0 331.655 5.456 40 0 EKABRN FC(F)(F)c1cccc(NC(=S)Nc2ccc(Cl)cc2)c1 ZINC000013786501 563723260 /nfs/dbraw/zinc/72/32/60/563723260.db2.gz JOPTVGDWVBOMKO-UHFFFAOYSA-N 0 0 330.762 5.168 40 0 EKABRN Fc1ccc(F)c(NC(=S)Nc2ccc(Cl)cc2Cl)c1 ZINC000013787665 563723736 /nfs/dbraw/zinc/72/37/36/563723736.db2.gz YKGNSXSOGWXAPN-UHFFFAOYSA-N 0 0 333.190 5.081 40 0 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Cc1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000013812630 563724452 /nfs/dbraw/zinc/72/44/52/563724452.db2.gz SYDYUJAJHHQBIB-UHFFFAOYSA-N 0 0 348.471 5.383 40 0 EKABRN S=C(NCc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1 ZINC000013815161 201916275 /nfs/dbraw/zinc/91/62/75/201916275.db2.gz FELNXHYGVDNTDJ-UHFFFAOYSA-N 0 0 345.682 5.133 40 0 EKABRN S=C(NCc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1 ZINC000013815164 563724910 /nfs/dbraw/zinc/72/49/10/563724910.db2.gz MDGYSTSESLLDBX-UHFFFAOYSA-N 0 0 345.682 5.133 40 0 EKABRN S=C(NCc1ccc(Cl)cc1Cl)Nc1ccccc1Cl ZINC000013815168 563724978 /nfs/dbraw/zinc/72/49/78/563724978.db2.gz PMYLKMCRZMXUJJ-UHFFFAOYSA-N 0 0 345.682 5.133 40 0 EKABRN CCc1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1 ZINC000013815186 563724943 /nfs/dbraw/zinc/72/49/43/563724943.db2.gz AMHUAYZGMJEAEC-UHFFFAOYSA-N 0 0 339.291 5.042 40 0 EKABRN Cc1cc(C)cc(NC(=S)NCc2ccc(Cl)cc2Cl)c1 ZINC000013815219 211644272 /nfs/dbraw/zinc/64/42/72/211644272.db2.gz ZDIIDLRMKXPAGO-UHFFFAOYSA-N 0 0 339.291 5.097 40 0 EKABRN 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564021800 /nfs/dbraw/zinc/02/18/00/564021800.db2.gz IYFIDRPUWMUYJP-UHFFFAOYSA-N 0 0 330.840 5.127 40 0 EKABRN Cc1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)cc1 ZINC000014258045 564021808 /nfs/dbraw/zinc/02/18/08/564021808.db2.gz SDMGDBAXIFNYSD-UHFFFAOYSA-N 0 0 334.400 5.117 40 0 EKABRN CCCCCC(=O)Nc1ccc2oc(-c3cc(C)cc(C)c3)nc2c1 ZINC000014258052 564021789 /nfs/dbraw/zinc/02/17/89/564021789.db2.gz PWZFBBJZOIVJRO-UHFFFAOYSA-N 0 0 336.435 5.630 40 0 EKABRN CC(C)CC(=O)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000014258066 564021791 /nfs/dbraw/zinc/02/17/91/564021791.db2.gz NPJYUMWICWNOLD-UHFFFAOYSA-N 0 0 344.414 5.633 40 0 EKABRN CC(C)(C)C(=O)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000014258068 207638738 /nfs/dbraw/zinc/63/87/38/207638738.db2.gz MNTFXYOKYODSPD-UHFFFAOYSA-N 0 0 328.799 5.133 40 0 EKABRN Cc1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)cc1Cl ZINC000014258078 564021804 /nfs/dbraw/zinc/02/18/04/564021804.db2.gz YIAZWGDRZLFDOA-UHFFFAOYSA-N 0 0 328.799 5.051 40 0 EKABRN Cc1ccc(-c2nc3cc(NC(=O)C(C)(C)C)ccc3o2)cc1Cl ZINC000014258079 564021792 /nfs/dbraw/zinc/02/17/92/564021792.db2.gz ZDLXTYVCGDYXTF-UHFFFAOYSA-N 0 0 342.826 5.441 40 0 EKABRN CC(C)(C)C(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000014258085 564021812 /nfs/dbraw/zinc/02/18/12/564021812.db2.gz DWHTXENTMQUVJC-UHFFFAOYSA-N 0 0 346.789 5.272 40 0 EKABRN CCc1ccccc1NC(=O)COc1ccc(C2CCCCC2)cc1 ZINC000014258125 564021824 /nfs/dbraw/zinc/02/18/24/564021824.db2.gz WAVNDIGRBVDPNF-UHFFFAOYSA-N 0 0 337.463 5.314 40 0 EKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1C(C)C ZINC000014258126 564021837 /nfs/dbraw/zinc/02/18/37/564021837.db2.gz WUTOONGFCFDUGO-UHFFFAOYSA-N 0 0 338.234 5.378 40 0 EKABRN Cc1cccc(C)c1NC(=O)COc1ccc(C2CCCCC2)cc1 ZINC000014258146 564021817 /nfs/dbraw/zinc/02/18/17/564021817.db2.gz NOBNBJYSZPAXQL-UHFFFAOYSA-N 0 0 337.463 5.369 40 0 EKABRN CCc1cccc(C)c1NC(=O)c1cc(Cl)cc(Cl)c1OC ZINC000014258149 564021840 /nfs/dbraw/zinc/02/18/40/564021840.db2.gz PTBBJOJYFDOXSO-UHFFFAOYSA-N 0 0 338.234 5.125 40 0 EKABRN Cc1cccc(NC(=O)COc2ccc(C3CCCCC3)cc2)c1C ZINC000014258154 564021843 /nfs/dbraw/zinc/02/18/43/564021843.db2.gz QHMODWPKXOVHFE-UHFFFAOYSA-N 0 0 337.463 5.369 40 0 EKABRN Cc1ccc(C)c(NC(=O)COc2ccc(C3CCCCC3)cc2)c1 ZINC000014258157 564021835 /nfs/dbraw/zinc/02/18/35/564021835.db2.gz PFPKTCGMWDLUIE-UHFFFAOYSA-N 0 0 337.463 5.369 40 0 EKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc2ccccc21 ZINC000014258164 564021831 /nfs/dbraw/zinc/02/18/31/564021831.db2.gz IBXWGTDNDUOFQZ-UHFFFAOYSA-N 0 0 346.213 5.408 40 0 EKABRN CCOc1ccccc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000014258168 564021818 /nfs/dbraw/zinc/02/18/18/564021818.db2.gz AFXOQXSWIJTJNM-UHFFFAOYSA-N 0 0 325.795 5.144 40 0 EKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccccc1Cl ZINC000014258223 564021849 /nfs/dbraw/zinc/02/18/49/564021849.db2.gz UMAYDACAXFWIHY-UHFFFAOYSA-N 0 0 343.854 5.405 40 0 EKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(Cl)c1 ZINC000014258228 564021855 /nfs/dbraw/zinc/02/18/55/564021855.db2.gz LHHGCYJFCWKYDT-UHFFFAOYSA-N 0 0 343.854 5.405 40 0 EKABRN Cc1c(Cl)cccc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000014258237 564021844 /nfs/dbraw/zinc/02/18/44/564021844.db2.gz OLTUTBFWUVWFPA-UHFFFAOYSA-N 0 0 330.214 5.707 40 0 EKABRN Cc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1Cl ZINC000014258239 564021850 /nfs/dbraw/zinc/02/18/50/564021850.db2.gz FJXGFSPAXAFFBD-UHFFFAOYSA-N 0 0 330.214 5.707 40 0 EKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000014258240 564021854 /nfs/dbraw/zinc/02/18/54/564021854.db2.gz QBGNNFIOPMFCEL-UHFFFAOYSA-N 0 0 344.625 5.216 40 0 EKABRN Cc1ccc(Cl)cc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000014258243 564021865 /nfs/dbraw/zinc/02/18/65/564021865.db2.gz YIYKJZKFAQVNLB-UHFFFAOYSA-N 0 0 330.214 5.707 40 0 EKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(Cl)ccc1C ZINC000014258244 564021864 /nfs/dbraw/zinc/02/18/64/564021864.db2.gz KMNBVGRYLFZIJW-UHFFFAOYSA-N 0 0 344.625 5.216 40 0 EKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(F)cc1F ZINC000014258248 564021861 /nfs/dbraw/zinc/02/18/61/564021861.db2.gz OGDKAIXKCOUCLZ-UHFFFAOYSA-N 0 0 345.389 5.030 40 0 EKABRN O=C(Nc1ccc(F)c(Cl)c1)c1cccc2c(Cl)cccc12 ZINC000014258270 207639740 /nfs/dbraw/zinc/63/97/40/207639740.db2.gz INMWMPJAKCXBIW-UHFFFAOYSA-N 0 0 334.177 5.538 40 0 EKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc2c(Cl)cccc12 ZINC000014258288 564021852 /nfs/dbraw/zinc/02/18/52/564021852.db2.gz ZRINJENIDRQGIR-UHFFFAOYSA-N 0 0 349.739 5.764 40 0 EKABRN CCCCc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 ZINC000014258352 564021896 /nfs/dbraw/zinc/02/18/96/564021896.db2.gz BTDLCPLZFPEMGU-UHFFFAOYSA-N 0 0 337.850 6.088 40 0 EKABRN CCCCc1ccc(NC(=O)COc2ccc([C@@H](C)CC)cc2)cc1 ZINC000014258355 564021884 /nfs/dbraw/zinc/02/18/84/564021884.db2.gz DLNOYPHYSXEORO-KRWDZBQOSA-N 0 0 339.479 5.560 40 0 EKABRN CCCCc1ccc(NC(=O)COc2ccc([C@H](C)CC)cc2)cc1 ZINC000014258356 257858754 /nfs/dbraw/zinc/85/87/54/257858754.db2.gz DLNOYPHYSXEORO-QGZVFWFLSA-N 0 0 339.479 5.560 40 0 EKABRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 ZINC000014258358 563756370 /nfs/dbraw/zinc/75/63/70/563756370.db2.gz LXAHGCTUBZVLIV-UHFFFAOYSA-N 0 0 334.124 5.265 40 0 EKABRN Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1Cl ZINC000014258359 564021902 /nfs/dbraw/zinc/02/19/02/564021902.db2.gz YJONREBHMMHPOV-UHFFFAOYSA-N 0 0 348.151 5.573 40 0 EKABRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cccc(Cl)c1 ZINC000014258361 564021890 /nfs/dbraw/zinc/02/18/90/564021890.db2.gz CLWKCDJOPHKSPF-UHFFFAOYSA-N 0 0 334.124 5.265 40 0 EKABRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc2ccccc2c1 ZINC000014258367 564021895 /nfs/dbraw/zinc/02/18/95/564021895.db2.gz YHWVJTCUFNWTSC-UHFFFAOYSA-N 0 0 349.739 5.764 40 0 EKABRN O=C(/C=C/c1ccccc1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000014258368 564021892 /nfs/dbraw/zinc/02/18/92/564021892.db2.gz NKUVBAXQOKENFH-RMKNXTFCSA-N 0 0 325.717 5.011 40 0 EKABRN O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000014258371 207639934 /nfs/dbraw/zinc/63/99/34/207639934.db2.gz NPMQFWFIYQBAHX-UHFFFAOYSA-N 0 0 348.151 5.193 40 0 EKABRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cccc2ccccc21 ZINC000014258372 564021880 /nfs/dbraw/zinc/02/18/80/564021880.db2.gz OLGPIGNLJMAJDZ-UHFFFAOYSA-N 0 0 349.739 5.764 40 0 EKABRN CCc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000014258374 564021877 /nfs/dbraw/zinc/02/18/77/564021877.db2.gz XUKMLACHYCBMLY-UHFFFAOYSA-N 0 0 327.733 5.174 40 0 EKABRN Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)c(Cl)c1 ZINC000014258376 564021885 /nfs/dbraw/zinc/02/18/85/564021885.db2.gz JIQDGXBFQCCOBI-UHFFFAOYSA-N 0 0 348.151 5.573 40 0 EKABRN CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000014258385 564021881 /nfs/dbraw/zinc/02/18/81/564021881.db2.gz GZYCCDRGISTPPB-UHFFFAOYSA-N 0 0 343.732 5.010 40 0 EKABRN CCc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 ZINC000014258481 564021916 /nfs/dbraw/zinc/02/19/16/564021916.db2.gz UVWZIHRTKUFNJT-UHFFFAOYSA-N 0 0 342.870 5.145 40 0 EKABRN COc1c(C)cccc1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000014258492 564021918 /nfs/dbraw/zinc/02/19/18/564021918.db2.gz SQXAUBGPPKJRCE-UHFFFAOYSA-N 0 0 331.371 5.155 40 0 EKABRN O=C(NC1C2CC3CC(C2)CC1C3)c1cccc2c(Cl)cccc12 ZINC000014258541 564021922 /nfs/dbraw/zinc/02/19/22/564021922.db2.gz MLUBYGKLKOCAMY-UHFFFAOYSA-N 0 0 339.866 5.048 40 0 EKABRN Cc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 ZINC000014258620 564021906 /nfs/dbraw/zinc/02/19/06/564021906.db2.gz URHWFIOQJAYUIZ-UHFFFAOYSA-N 0 0 342.870 5.137 40 0 EKABRN Cc1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000014268871 564021940 /nfs/dbraw/zinc/02/19/40/564021940.db2.gz NUQGWOSVUSCVLB-UHFFFAOYSA-N 0 0 342.870 5.137 40 0 EKABRN CC(C)c1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 ZINC000014268910 564021951 /nfs/dbraw/zinc/02/19/51/564021951.db2.gz WWCZZEPQJSQRCK-KRWDZBQOSA-N 0 0 336.479 5.441 40 0 EKABRN CC(C)c1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 ZINC000014268912 564021934 /nfs/dbraw/zinc/02/19/34/564021934.db2.gz WWCZZEPQJSQRCK-QGZVFWFLSA-N 0 0 336.479 5.441 40 0 EKABRN C[C@@H]1CCCCN1c1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000014268918 564021936 /nfs/dbraw/zinc/02/19/36/564021936.db2.gz JBNWXYRLDISTHQ-OAHLLOKOSA-N 0 0 334.419 5.064 40 0 EKABRN C[C@H]1CCCCN1c1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000014268920 564021933 /nfs/dbraw/zinc/02/19/33/564021933.db2.gz JBNWXYRLDISTHQ-HNNXBMFYSA-N 0 0 334.419 5.064 40 0 EKABRN COc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C ZINC000014292010 564022208 /nfs/dbraw/zinc/02/22/08/564022208.db2.gz OISMOZUMGWSKSL-UHFFFAOYSA-N 0 0 344.625 5.216 40 0 EKABRN COc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1C ZINC000014292026 211730278 /nfs/dbraw/zinc/73/02/78/211730278.db2.gz ZLKCNUYFTUQKAX-UHFFFAOYSA-N 0 0 349.455 5.407 40 0 EKABRN COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1C ZINC000014292030 564022217 /nfs/dbraw/zinc/02/22/17/564022217.db2.gz XQZXTUJNOLUAGH-UHFFFAOYSA-N 0 0 333.387 5.048 40 0 EKABRN C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000014388451 563758528 /nfs/dbraw/zinc/75/85/28/563758528.db2.gz NGRZIGHUFAAFOG-SECBINFHSA-N 0 0 328.626 5.138 40 0 EKABRN C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000014388452 563758533 /nfs/dbraw/zinc/75/85/33/563758533.db2.gz NGRZIGHUFAAFOG-VIFPVBQESA-N 0 0 328.626 5.138 40 0 EKABRN Cc1cc(O[C@H](C)C(=O)Nc2cccc(Cl)c2)cc(C)c1Cl ZINC000014396193 564022247 /nfs/dbraw/zinc/02/22/47/564022247.db2.gz XZKYKLFPSYFKGT-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1cc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc(C)c1Cl ZINC000014396195 564022265 /nfs/dbraw/zinc/02/22/65/564022265.db2.gz XZKYKLFPSYFKGT-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN CSc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000014396249 257858592 /nfs/dbraw/zinc/85/85/92/257858592.db2.gz CGULVRJWBLBVEM-CYBMUJFWSA-N 0 0 349.883 5.085 40 0 EKABRN CSc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000014396250 564022252 /nfs/dbraw/zinc/02/22/52/564022252.db2.gz CGULVRJWBLBVEM-ZDUSSCGKSA-N 0 0 349.883 5.085 40 0 EKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(N2CCCCC2)cc1 ZINC000014396623 257858452 /nfs/dbraw/zinc/85/84/52/257858452.db2.gz ROMOTLSBGZCMKM-UHFFFAOYSA-N 0 0 349.261 5.236 40 0 EKABRN O=C(CCCOc1ccc(Cl)cc1)Nc1ccc2ccccc2c1 ZINC000014396774 564022261 /nfs/dbraw/zinc/02/22/61/564022261.db2.gz IIMVIIAQXUCNFO-UHFFFAOYSA-N 0 0 339.822 5.291 40 0 EKABRN O=C(Nc1cccc2ccccc21)c1ccc(N2CCCCC2)cc1 ZINC000014396817 257858653 /nfs/dbraw/zinc/85/86/53/257858653.db2.gz HNRVRNANUZDCAK-UHFFFAOYSA-N 0 0 330.431 5.082 40 0 EKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000014396848 564022239 /nfs/dbraw/zinc/02/22/39/564022239.db2.gz PCHLMIVMHRIUNW-CYBMUJFWSA-N 0 0 331.843 5.044 40 0 EKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000014396849 564022262 /nfs/dbraw/zinc/02/22/62/564022262.db2.gz PCHLMIVMHRIUNW-ZDUSSCGKSA-N 0 0 331.843 5.044 40 0 EKABRN Cc1ccc(OCCCC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000014396884 564022258 /nfs/dbraw/zinc/02/22/58/564022258.db2.gz GQTMGRNBIDQELY-UHFFFAOYSA-N 0 0 345.442 5.460 40 0 EKABRN CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000014396932 564022246 /nfs/dbraw/zinc/02/22/46/564022246.db2.gz WKLSVHRXUPYSKR-OAHLLOKOSA-N 0 0 345.870 5.234 40 0 EKABRN CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000014396934 564022244 /nfs/dbraw/zinc/02/22/44/564022244.db2.gz WKLSVHRXUPYSKR-HNNXBMFYSA-N 0 0 345.870 5.234 40 0 EKABRN O=C(CCCOc1ccccc1)Nc1ccccc1Oc1ccccc1 ZINC000014397062 564022286 /nfs/dbraw/zinc/02/22/86/564022286.db2.gz UPCMHFWQPCMBBV-UHFFFAOYSA-N 0 0 347.414 5.277 40 0 EKABRN CC(C)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000014397342 564022271 /nfs/dbraw/zinc/02/22/71/564022271.db2.gz SGMVTEBWJXZSRO-MRXNPFEDSA-N 0 0 339.479 5.514 40 0 EKABRN CC(C)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000014397344 564022268 /nfs/dbraw/zinc/02/22/68/564022268.db2.gz SGMVTEBWJXZSRO-INIZCTEOSA-N 0 0 339.479 5.514 40 0 EKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000014397728 564022288 /nfs/dbraw/zinc/02/22/88/564022288.db2.gz GMEIOCYBROKYOO-GFCCVEGCSA-N 0 0 349.833 5.183 40 0 EKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000014397730 564022284 /nfs/dbraw/zinc/02/22/84/564022284.db2.gz GMEIOCYBROKYOO-LBPRGKRZSA-N 0 0 349.833 5.183 40 0 EKABRN Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000014398093 257858438 /nfs/dbraw/zinc/85/84/38/257858438.db2.gz YNRYYJQGNIAWOF-MRXNPFEDSA-N 0 0 325.452 5.007 40 0 EKABRN Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000014398095 564022308 /nfs/dbraw/zinc/02/23/08/564022308.db2.gz YNRYYJQGNIAWOF-INIZCTEOSA-N 0 0 325.452 5.007 40 0 EKABRN Cc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000014398208 564022305 /nfs/dbraw/zinc/02/23/05/564022305.db2.gz POMYYZWFBSZJDJ-UHFFFAOYSA-N 0 0 338.234 5.100 40 0 EKABRN Cc1ccc(OCCCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000014398323 564022299 /nfs/dbraw/zinc/02/22/99/564022299.db2.gz ATSAVGUTCHHPQW-UHFFFAOYSA-N 0 0 338.234 5.100 40 0 EKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(C)C)cc(C)c1Cl ZINC000014398749 564022347 /nfs/dbraw/zinc/02/23/47/564022347.db2.gz WSSNLNZIWGBCIM-OAHLLOKOSA-N 0 0 345.870 5.486 40 0 EKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc(C)c1Cl ZINC000014398751 564022338 /nfs/dbraw/zinc/02/23/38/564022338.db2.gz WSSNLNZIWGBCIM-HNNXBMFYSA-N 0 0 345.870 5.486 40 0 EKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000014399222 564022383 /nfs/dbraw/zinc/02/23/83/564022383.db2.gz ROLNIIXTCKJSQE-CYBMUJFWSA-N 0 0 331.843 5.044 40 0 EKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000014399224 564022385 /nfs/dbraw/zinc/02/23/85/564022385.db2.gz ROLNIIXTCKJSQE-ZDUSSCGKSA-N 0 0 331.843 5.044 40 0 EKABRN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(N2CCCCC2)cc1 ZINC000014399457 564022384 /nfs/dbraw/zinc/02/23/84/564022384.db2.gz QBYMKLLACDBVNF-UHFFFAOYSA-N 0 0 349.261 5.236 40 0 EKABRN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(N2CCCCC2)cc1 ZINC000014399921 564022407 /nfs/dbraw/zinc/02/24/07/564022407.db2.gz HHEPMMXCTHEHRM-UHFFFAOYSA-N 0 0 349.261 5.236 40 0 EKABRN Cc1ccc(OCCCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000014400342 564023489 /nfs/dbraw/zinc/02/34/89/564023489.db2.gz KXQAJBRKMAIREB-UHFFFAOYSA-N 0 0 338.234 5.100 40 0 EKABRN O=C(Nc1c(Cl)cccc1Cl)c1ccc(N2CCCCC2)cc1 ZINC000014400354 257858664 /nfs/dbraw/zinc/85/86/64/257858664.db2.gz YGWFADYXBXLSBS-UHFFFAOYSA-N 0 0 349.261 5.236 40 0 EKABRN Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000014400604 564023490 /nfs/dbraw/zinc/02/34/90/564023490.db2.gz CGKIVJRJLKHBFD-CQSZACIVSA-N 0 0 345.870 5.352 40 0 EKABRN Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000014400606 564023463 /nfs/dbraw/zinc/02/34/63/564023463.db2.gz CGKIVJRJLKHBFD-AWEZNQCLSA-N 0 0 345.870 5.352 40 0 EKABRN CSc1cccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000014400853 564023487 /nfs/dbraw/zinc/02/34/87/564023487.db2.gz PXFMDOWWCMERIC-CQSZACIVSA-N 0 0 343.492 5.112 40 0 EKABRN CSc1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000014400855 564023474 /nfs/dbraw/zinc/02/34/74/564023474.db2.gz PXFMDOWWCMERIC-AWEZNQCLSA-N 0 0 343.492 5.112 40 0 EKABRN Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1C ZINC000014400905 564023493 /nfs/dbraw/zinc/02/34/93/564023493.db2.gz VTBGCJXYZQMLPM-MRXNPFEDSA-N 0 0 325.452 5.007 40 0 EKABRN Cc1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1C ZINC000014400908 564023479 /nfs/dbraw/zinc/02/34/79/564023479.db2.gz VTBGCJXYZQMLPM-INIZCTEOSA-N 0 0 325.452 5.007 40 0 EKABRN Cc1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1C ZINC000014401204 564023394 /nfs/dbraw/zinc/02/33/94/564023394.db2.gz KAAOSKKIXRLWPB-UHFFFAOYSA-N 0 0 347.414 5.113 40 0 EKABRN Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000014401415 564023384 /nfs/dbraw/zinc/02/33/84/564023384.db2.gz DRPBSVMDZUNAEH-MRXNPFEDSA-N 0 0 325.452 5.007 40 0 EKABRN Cc1cc(C)cc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000014401418 564023382 /nfs/dbraw/zinc/02/33/82/564023382.db2.gz DRPBSVMDZUNAEH-INIZCTEOSA-N 0 0 325.452 5.007 40 0 EKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccccc2Cl)cc(C)c1Cl ZINC000014401679 564023368 /nfs/dbraw/zinc/02/33/68/564023368.db2.gz IFIMYZXFGUNHNW-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2Cl)cc(C)c1Cl ZINC000014401682 564023373 /nfs/dbraw/zinc/02/33/73/564023373.db2.gz IFIMYZXFGUNHNW-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(N2CCCCC2)cc1 ZINC000014401705 564023393 /nfs/dbraw/zinc/02/33/93/564023393.db2.gz NSCGQWTUHIRTES-UHFFFAOYSA-N 0 0 349.261 5.236 40 0 EKABRN Cc1cc(C)c(NC(=O)CCCSc2ccc(Cl)cc2)c(C)c1 ZINC000014426507 563758992 /nfs/dbraw/zinc/75/89/92/563758992.db2.gz YEQWQIQSJXTVAK-UHFFFAOYSA-N 0 0 347.911 5.776 40 0 EKABRN Cc1ccc(CSCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000014427161 257858257 /nfs/dbraw/zinc/85/82/57/257858257.db2.gz NYEYPXWTAHQDFG-UHFFFAOYSA-N 0 0 340.275 5.174 40 0 EKABRN COC(=O)CCCCCCCCCCCCCCCCCCCO ZINC000014449693 201057827 /nfs/dbraw/zinc/05/78/27/201057827.db2.gz OCCHBWCFXPQLRX-UHFFFAOYSA-N 0 0 342.564 6.174 40 0 EKABRN CCCCCC[C@@H](O)C/C=C\CCCCCCCCCC(=O)OC ZINC000014449849 563759694 /nfs/dbraw/zinc/75/96/94/563759694.db2.gz NIOKVQPUJKYTOZ-NLBZTSMMSA-N 0 0 340.548 5.948 40 0 EKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000014495911 563760083 /nfs/dbraw/zinc/76/00/83/563760083.db2.gz HTVKTSMKCJRDTR-UHFFFAOYSA-N 0 0 346.213 5.408 40 0 EKABRN O=C(Nc1cccc(Br)c1)c1cc(Cl)cc(Cl)c1 ZINC000014553076 564023524 /nfs/dbraw/zinc/02/35/24/564023524.db2.gz POGOIOFEBYSJFL-UHFFFAOYSA-N 0 0 345.023 5.008 40 0 EKABRN CSc1ccccc1C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000014577012 563760970 /nfs/dbraw/zinc/76/09/70/563760970.db2.gz GWFRDARUXKMDRK-NRFANRHFSA-N 0 0 347.483 5.236 40 0 EKABRN CSc1ccccc1C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000014577013 563760946 /nfs/dbraw/zinc/76/09/46/563760946.db2.gz GWFRDARUXKMDRK-OAQYLSRUSA-N 0 0 347.483 5.236 40 0 EKABRN Cc1ccc([C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 ZINC000014577214 201938036 /nfs/dbraw/zinc/93/80/36/201938036.db2.gz OKUPFBYMPQOKFC-FQEVSTJZSA-N 0 0 335.834 5.168 40 0 EKABRN Cc1ccc([C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 ZINC000014577215 563760964 /nfs/dbraw/zinc/76/09/64/563760964.db2.gz OKUPFBYMPQOKFC-HXUWFJFHSA-N 0 0 335.834 5.168 40 0 EKABRN Cc1nn2c(c1-c1cccc3ccccc31)N=CC[C@@H]2c1ccccc1 ZINC000014607100 564023594 /nfs/dbraw/zinc/02/35/94/564023594.db2.gz SPMZNQSCUVRWSA-OAQYLSRUSA-N 0 0 337.426 5.707 40 0 EKABRN Cc1nn2c(c1-c1cccc3ccccc31)N=CC[C@H]2c1ccccc1 ZINC000014607101 207777357 /nfs/dbraw/zinc/77/73/57/207777357.db2.gz SPMZNQSCUVRWSA-NRFANRHFSA-N 0 0 337.426 5.707 40 0 EKABRN Cc1nn2c(c1-c1ccc(F)cc1)N=C(C)C[C@@H]2c1ccc(F)cc1 ZINC000014607122 564023601 /nfs/dbraw/zinc/02/36/01/564023601.db2.gz VPUAXKJOFWKCMY-GOSISDBHSA-N 0 0 337.373 5.222 40 0 EKABRN Cc1nn2c(c1-c1ccc(F)cc1)N=C(C)C[C@H]2c1ccc(F)cc1 ZINC000014607123 564023603 /nfs/dbraw/zinc/02/36/03/564023603.db2.gz VPUAXKJOFWKCMY-SFHVURJKSA-N 0 0 337.373 5.222 40 0 EKABRN Cc1nn2c(c1-c1ccccc1)N=C(C)C[C@@H]2c1cc(F)cc(F)c1 ZINC000014607128 564023585 /nfs/dbraw/zinc/02/35/85/564023585.db2.gz YNUCCRCQTATTNF-GOSISDBHSA-N 0 0 337.373 5.222 40 0 EKABRN Cc1nn2c(c1-c1ccccc1)N=C(C)C[C@H]2c1cc(F)cc(F)c1 ZINC000014607129 564023580 /nfs/dbraw/zinc/02/35/80/564023580.db2.gz YNUCCRCQTATTNF-SFHVURJKSA-N 0 0 337.373 5.222 40 0 EKABRN CCc1nn2c(c1-c1ccc(Cl)cc1)N=C(C)C[C@@H]2c1ccco1 ZINC000014607652 564023631 /nfs/dbraw/zinc/02/36/31/564023631.db2.gz HQUAOAMNOXWFBO-MRXNPFEDSA-N 0 0 339.826 5.444 40 0 EKABRN CCc1nn2c(c1-c1ccc(Cl)cc1)N=C(C)C[C@H]2c1ccco1 ZINC000014607653 211747971 /nfs/dbraw/zinc/74/79/71/211747971.db2.gz HQUAOAMNOXWFBO-INIZCTEOSA-N 0 0 339.826 5.444 40 0 EKABRN C[C@@H](Sc1ccccn1)C(=O)n1c2ccccc2c2ccccc21 ZINC000014608349 564023629 /nfs/dbraw/zinc/02/36/29/564023629.db2.gz BEYAJHCZNOKQQS-CQSZACIVSA-N 0 0 332.428 5.011 40 0 EKABRN C[C@H](Sc1ccccn1)C(=O)n1c2ccccc2c2ccccc21 ZINC000014608350 207778547 /nfs/dbraw/zinc/77/85/47/207778547.db2.gz BEYAJHCZNOKQQS-AWEZNQCLSA-N 0 0 332.428 5.011 40 0 EKABRN CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(C)cc(O)cc1O ZINC000014612909 257844814 /nfs/dbraw/zinc/84/48/14/257844814.db2.gz JWDIUXFSIWOGDP-VZRGJMDUSA-N 0 0 328.496 6.368 40 0 endogenous,in-man EKABRN COC(=O)CCCCCCCCCCCCCCc1ccccc1 ZINC000014652081 211750541 /nfs/dbraw/zinc/75/05/41/211750541.db2.gz ABOXOJMJRBLUDL-UHFFFAOYSA-N 0 0 332.528 6.473 40 0 EKABRN CC(C)Oc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000014663960 211751707 /nfs/dbraw/zinc/75/17/07/211751707.db2.gz MNSUSJURWPYMCA-UHFFFAOYSA-N 0 0 347.414 5.518 40 0 EKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2ccccc21 ZINC000014665119 564023662 /nfs/dbraw/zinc/02/36/62/564023662.db2.gz SWJOZMAJOHUNSF-INIZCTEOSA-N 0 0 347.458 5.543 40 0 EKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2ccccc21 ZINC000014665121 564023690 /nfs/dbraw/zinc/02/36/90/564023690.db2.gz SWJOZMAJOHUNSF-MRXNPFEDSA-N 0 0 347.458 5.543 40 0 EKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1Cl ZINC000014665143 207782092 /nfs/dbraw/zinc/78/20/92/207782092.db2.gz VLUSSYXATPVJQJ-ZDUSSCGKSA-N 0 0 331.843 5.044 40 0 EKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1Cl ZINC000014665145 564023681 /nfs/dbraw/zinc/02/36/81/564023681.db2.gz VLUSSYXATPVJQJ-CYBMUJFWSA-N 0 0 331.843 5.044 40 0 EKABRN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C ZINC000014665147 564023680 /nfs/dbraw/zinc/02/36/80/564023680.db2.gz ZDNZVZJNROAAMK-MRXNPFEDSA-N 0 0 325.452 5.007 40 0 EKABRN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C ZINC000014665149 257858266 /nfs/dbraw/zinc/85/82/66/257858266.db2.gz ZDNZVZJNROAAMK-INIZCTEOSA-N 0 0 325.452 5.007 40 0 EKABRN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000014665151 207782284 /nfs/dbraw/zinc/78/22/84/207782284.db2.gz MSOFZHBDZQXRLP-MRXNPFEDSA-N 0 0 325.452 5.007 40 0 EKABRN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000014665153 211751364 /nfs/dbraw/zinc/75/13/64/211751364.db2.gz MSOFZHBDZQXRLP-INIZCTEOSA-N 0 0 325.452 5.007 40 0 EKABRN Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000014665183 564023686 /nfs/dbraw/zinc/02/36/86/564023686.db2.gz LLICLUDCORYWEE-MRXNPFEDSA-N 0 0 325.452 5.007 40 0 EKABRN Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000014665185 564023683 /nfs/dbraw/zinc/02/36/83/564023683.db2.gz LLICLUDCORYWEE-INIZCTEOSA-N 0 0 325.452 5.007 40 0 EKABRN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1Cl ZINC000014665271 564023677 /nfs/dbraw/zinc/02/36/77/564023677.db2.gz QEXXZNKLGOTVJR-CQSZACIVSA-N 0 0 345.870 5.352 40 0 EKABRN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1Cl ZINC000014665273 211752059 /nfs/dbraw/zinc/75/20/59/211752059.db2.gz QEXXZNKLGOTVJR-AWEZNQCLSA-N 0 0 345.870 5.352 40 0 EKABRN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000014665367 211751624 /nfs/dbraw/zinc/75/16/24/211751624.db2.gz FRGJVMWLPJMMHT-CQSZACIVSA-N 0 0 345.870 5.352 40 0 EKABRN Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000014665369 564023667 /nfs/dbraw/zinc/02/36/67/564023667.db2.gz FRGJVMWLPJMMHT-AWEZNQCLSA-N 0 0 345.870 5.352 40 0 EKABRN CSc1cccc(NC(=O)CSc2ccc3ccccc3c2)c1 ZINC000014680550 564023669 /nfs/dbraw/zinc/02/36/69/564023669.db2.gz PUQFNQFWUDXZLE-UHFFFAOYSA-N 0 0 339.485 5.293 40 0 EKABRN Cc1cccc(C(C)C)c1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000014739593 563764173 /nfs/dbraw/zinc/76/41/73/563764173.db2.gz BJGDZDIXQIFSFK-UHFFFAOYSA-N 0 0 343.470 5.967 40 0 EKABRN O=C(Nc1ccc(Cl)cc1Cl)c1cc(Cl)cc(Cl)c1 ZINC000014784515 564023774 /nfs/dbraw/zinc/02/37/74/564023774.db2.gz NEMGQIFBCXDEED-UHFFFAOYSA-N 0 0 335.017 5.553 40 0 EKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1 ZINC000014784518 211763414 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/nfs/dbraw/zinc/98/19/43/563981943.db2.gz VHKJZQPEXBLYNZ-UHFFFAOYSA-N 0 0 338.454 6.132 40 0 EKABRN CCCCn1nc(C)c2c1nc(-c1cccc(OC)c1)cc2C(F)F ZINC000017071986 563981955 /nfs/dbraw/zinc/98/19/55/563981955.db2.gz ZSZGYHACWMZRBX-UHFFFAOYSA-N 0 0 345.393 5.153 40 0 EKABRN Cc1ccc(-n2nc(-c3ccccc3F)cc2-c2ccccc2F)cc1 ZINC000017072066 563981983 /nfs/dbraw/zinc/98/19/83/563981983.db2.gz IWPJFHGBFBXUAE-UHFFFAOYSA-N 0 0 346.380 5.793 40 0 EKABRN S=C(Nc1cc(Cl)ccc1Oc1ccccc1)NC1CCCC1 ZINC000017072199 564024887 /nfs/dbraw/zinc/02/48/87/564024887.db2.gz QURKZCUPMYYWGV-UHFFFAOYSA-N 0 0 346.883 5.361 40 0 EKABRN COc1ccccc1-c1cc(-c2ccccc2OC)n(C2CCCC2)n1 ZINC000017072414 203966888 /nfs/dbraw/zinc/96/68/88/203966888.db2.gz OGAKXBLHRKTQRH-UHFFFAOYSA-N 0 0 348.446 5.349 40 0 EKABRN COc1cccc(-c2cc(-c3cccc(OC)c3)n(C3CCCC3)n2)c1 ZINC000017072415 563981979 /nfs/dbraw/zinc/98/19/79/563981979.db2.gz ZKUVDLWAZBHOMK-UHFFFAOYSA-N 0 0 348.446 5.349 40 0 EKABRN C(=C1\SC(c2ccccc2)=N[C@@H]1c1ccccc1)\c1ccccc1 ZINC000017105152 211953813 /nfs/dbraw/zinc/95/38/13/211953813.db2.gz OGVIFLIVZKLLAY-OYQOIYBLSA-N 0 0 327.452 5.962 40 0 EKABRN C(=C1\SC(c2ccccc2)=N[C@H]1c1ccccc1)\c1ccccc1 ZINC000017105154 563836476 /nfs/dbraw/zinc/83/64/76/563836476.db2.gz OGVIFLIVZKLLAY-LDETYFQJSA-N 0 0 327.452 5.962 40 0 EKABRN CCCCCC[C@@H](Cn1ccnc1)c1ccc(Br)cc1 ZINC000017106766 563836909 /nfs/dbraw/zinc/83/69/09/563836909.db2.gz AGFKAHBLYYNKBG-INIZCTEOSA-N 0 0 335.289 5.400 40 0 EKABRN CCCC[C@@H](c1cccc(O)c1)[C@H](CCCC)c1cccc(O)c1 ZINC000017108004 563836799 /nfs/dbraw/zinc/83/67/99/563836799.db2.gz TUIUBFPFLXPNFD-SZPZYZBQSA-N 0 0 326.480 6.346 40 0 EKABRN CCCCCCC1(/C=C\c2ccc(Cl)c(Cl)c2)OCCCO1 ZINC000017108292 563836885 /nfs/dbraw/zinc/83/68/85/563836885.db2.gz YEKUMNNIQAQQKA-LUAWRHEFSA-N 0 0 343.294 6.110 40 0 EKABRN CCCCCCC1(/C=C\c2ccc(Cl)cc2Cl)OCCCO1 ZINC000017108295 563836770 /nfs/dbraw/zinc/83/67/70/563836770.db2.gz WBEFDGHDQBDODX-LUAWRHEFSA-N 0 0 343.294 6.110 40 0 EKABRN Cc1ccc(/N=c2/oc3ccccc3nc2Nc2ccc(C)cc2)cc1 ZINC000017111377 563836810 /nfs/dbraw/zinc/83/68/10/563836810.db2.gz QBBQXGWTAWEVJG-ZNTNEXAZSA-N 0 0 341.414 5.421 40 0 EKABRN CC(C)C(=O)[C@H]1[C@@H](C(=O)C(C)C)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000017147002 563838459 /nfs/dbraw/zinc/83/84/59/563838459.db2.gz ICPJFLYCNOEUNZ-MYGLTJDJSA-N 0 0 348.486 5.250 40 0 EKABRN CCCCC/C=C\C/C=C\CCCCCCCC1=N[C@@](C)(CO)CO1 ZINC000017148016 563838419 /nfs/dbraw/zinc/83/84/19/563838419.db2.gz NYSIRRGURPKWBW-HOAWFJNZSA-N 0 0 349.559 5.980 40 0 EKABRN CCCCC/C=C/C/C=C\CCCCCCCC1=N[C@@](C)(CO)CO1 ZINC000017148018 211956656 /nfs/dbraw/zinc/95/66/56/211956656.db2.gz NYSIRRGURPKWBW-LEEUXRLSSA-N 0 0 349.559 5.980 40 0 EKABRN O=C(CN1CCCCC1)c1ccc(/C=C\c2ccc(Cl)cc2)cc1 ZINC000017157565 563839238 /nfs/dbraw/zinc/83/92/38/563839238.db2.gz UOABAPJUJLLAFB-PLNGDYQASA-N 0 0 339.866 5.179 40 0 EKABRN COc1ccc(/N=c2\cc(-c3ccccc3)oc3ccccc32)cc1 ZINC000017160341 563839071 /nfs/dbraw/zinc/83/90/71/563839071.db2.gz YAMQSVNNXBFKHG-BSYVCWPDSA-N 0 0 327.383 5.341 40 0 EKABRN Cc1ccc(/N=c2\cc(-c3ccccc3)oc3ccccc32)c(C)c1 ZINC000017160344 563839082 /nfs/dbraw/zinc/83/90/82/563839082.db2.gz TYYSXYACHCXHIA-DARPEHSRSA-N 0 0 325.411 5.949 40 0 EKABRN Cc1cc(C)nc(/C=C/c2ccc(/C=C\c3cc(C)cc(C)n3)cc2)c1 ZINC000017176522 563839533 /nfs/dbraw/zinc/83/95/33/563839533.db2.gz NHFWLPKGJSKYHA-DSOJMZEYSA-N 0 0 340.470 6.051 40 0 EKABRN COc1ccc(/N=c2\ssc3c(=S)ssc32)cc1 ZINC000017194704 563839709 /nfs/dbraw/zinc/83/97/09/563839709.db2.gz FVECGOHKWKHWCW-BENRWUELSA-N 0 0 329.518 5.056 40 0 EKABRN c1ccc(/N=c2/sc3ccccc3s/c2=N\c2ccccc2)cc1 ZINC000017255860 563841607 /nfs/dbraw/zinc/84/16/07/563841607.db2.gz FMVHAGUFSUOTQL-OLAQIDGISA-N 0 0 346.480 5.428 40 0 EKABRN c1ccc(/N=c2/sc3ccccc3nc2Nc2ccccc2)cc1 ZINC000017255864 211961394 /nfs/dbraw/zinc/96/13/94/211961394.db2.gz ISCMDEIRBRBVTR-LSDHQDQOSA-N 0 0 329.428 5.272 40 0 EKABRN Clc1ccc(SC/C=C\CSc2ccc(Cl)cc2)cc1 ZINC000017289441 563842016 /nfs/dbraw/zinc/84/20/16/563842016.db2.gz IYDMTDVSXXUTME-UPHRSURJSA-N 0 0 341.328 6.434 40 0 EKABRN COc1ccc(/C=C/c2cccc(/C=C\c3ccc(OC)cc3)n2)cc1 ZINC000017299961 563842640 /nfs/dbraw/zinc/84/26/40/563842640.db2.gz VUCBVXIRDFJBOX-VOFKWTQNSA-N 0 0 343.426 5.440 40 0 EKABRN CC[C@@H](c1ccc2oc(C)cc2c1)[C@H](CC)c1ccc2oc(C)cc2c1 ZINC000017303451 563842692 /nfs/dbraw/zinc/84/26/92/563842692.db2.gz FFXGBNWZSHUVCL-SZPZYZBQSA-N 0 0 346.470 7.483 40 0 EKABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](C5CCCC5)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000017316107 563842994 /nfs/dbraw/zinc/84/29/94/563842994.db2.gz RBCMLWGBXWRMNN-XBUBOJNLSA-N 0 0 344.583 6.196 40 0 EKABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=C5C=CC=C5)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000017316448 564011671 /nfs/dbraw/zinc/01/16/71/564011671.db2.gz OYOVFIJVSKWVLT-CBUBZBNCSA-N 0 0 338.535 5.813 40 0 EKABRN CCCC[C@@H](CC)COC(=O)/C=C\c1ccc(OCCC(C)C)cc1 ZINC000017326076 201989506 /nfs/dbraw/zinc/98/95/06/201989506.db2.gz IFOXCRJNHMWYCU-KWRJMZDGSA-N 0 0 346.511 5.884 40 0 EKABRN CCCC[C@H](CC)COC(=O)/C=C\c1ccc(OCCC(C)C)cc1 ZINC000017326078 211965679 /nfs/dbraw/zinc/96/56/79/211965679.db2.gz IFOXCRJNHMWYCU-RNUYOQPASA-N 0 0 346.511 5.884 40 0 EKABRN Clc1ccc(/C=C2/c3ccccc3-c3nc4ccccc4cc32)cc1 ZINC000017354126 563843498 /nfs/dbraw/zinc/84/34/98/563843498.db2.gz SEFWEPCFYADDCN-MOSHPQCFSA-N 0 0 339.825 6.458 40 0 EKABRN CC(C)=CCC/C(C)=C\COC(=O)N(c1ccccc1)c1ccccc1 ZINC000017354581 201990396 /nfs/dbraw/zinc/99/03/96/201990396.db2.gz AKUVQFAHRFVCGX-JZJYNLBNSA-N 0 0 349.474 6.654 40 0 EKABRN OC1(c2ccc(Br)cc2)[C@H]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]21 ZINC000017355048 563843439 /nfs/dbraw/zinc/84/34/39/563843439.db2.gz LGQFIHRWMOPYMC-YMNIQUSHSA-N 0 0 349.312 5.263 40 0 EKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(F)cc1F ZINC000017482561 563844742 /nfs/dbraw/zinc/84/47/42/563844742.db2.gz CBNYYYIVCBFYGH-UHFFFAOYSA-N 0 0 336.552 5.177 40 0 EKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(F)cc(F)c1 ZINC000017482609 563844763 /nfs/dbraw/zinc/84/47/63/563844763.db2.gz FXXHOAKUMBJLFW-UHFFFAOYSA-N 0 0 336.552 5.177 40 0 EKABRN C1=CC[C@H](C2OC([C@@H]3CC=CCC3)OC([C@@H]3CC=CCC3)O2)CC1 ZINC000017747292 563845466 /nfs/dbraw/zinc/84/54/66/563845466.db2.gz GDVLQRKRINDFTM-MYZNHPSISA-N 0 0 330.468 5.097 40 0 EKABRN CCOc1cc(C=O)ccc1OCC12CC(C[C@@H](C)C1)C[C@H](C)C2 ZINC000017781297 564025045 /nfs/dbraw/zinc/02/50/45/564025045.db2.gz GKTRPNDNNNRIIW-QIMBPPIPSA-N 0 0 330.468 5.129 40 0 EKABRN c1ccc2sc(-c3cccc(-c4nc5ccccc5s4)c3)nc2c1 ZINC000017903822 563982119 /nfs/dbraw/zinc/98/21/19/563982119.db2.gz QNNWGJWCACQZQK-UHFFFAOYSA-N 0 0 344.464 6.240 40 0 EKABRN C[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000017916248 563846212 /nfs/dbraw/zinc/84/62/12/563846212.db2.gz BNVLEPZOZIHLRR-QGZVFWFLSA-N 0 0 347.433 5.225 40 0 EKABRN C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000017916250 524922047 /nfs/dbraw/zinc/92/20/47/524922047.db2.gz BNVLEPZOZIHLRR-KRWDZBQOSA-N 0 0 347.433 5.225 40 0 EKABRN O=[N+]([O-])c1ccc(N=NNc2ccc(N=Nc3ccccc3)cc2)cc1 ZINC000018282893 564127965 /nfs/dbraw/zinc/12/79/65/564127965.db2.gz SMMIDVLUFMPWFN-UHFFFAOYSA-N 0 0 346.350 6.121 40 0 EKABRN O=C(c1ccc(Cl)cc1)N(c1ccccc1)c1cccc(Cl)c1 ZINC000019014918 211996844 /nfs/dbraw/zinc/99/68/44/211996844.db2.gz RKVWHRFZAMOKKU-UHFFFAOYSA-N 0 0 342.225 5.972 40 0 EKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)c(F)c1 ZINC000019074389 563853252 /nfs/dbraw/zinc/85/32/52/563853252.db2.gz WZVIQNSWWMJHRV-UHFFFAOYSA-N 0 0 325.314 5.009 40 0 EKABRN CCCCOc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000019074403 211998221 /nfs/dbraw/zinc/99/82/21/211998221.db2.gz PQUNLFAWLPPDJE-UHFFFAOYSA-N 0 0 337.341 5.137 40 0 EKABRN CCN(CC)c1ccc(NC(=O)Nc2cccc3ccccc32)c(C)c1 ZINC000019074649 563853247 /nfs/dbraw/zinc/85/32/47/563853247.db2.gz JOGSUPJQAPRLGZ-UHFFFAOYSA-N 0 0 347.462 5.638 40 0 EKABRN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)Nc1ccccc1Cl ZINC000019075082 563853159 /nfs/dbraw/zinc/85/31/59/563853159.db2.gz POMSBUMYLYLKNE-UHFFFAOYSA-N 0 0 334.806 5.555 40 0 EKABRN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)Nc1cccc(Cl)c1 ZINC000019075084 563853530 /nfs/dbraw/zinc/85/35/30/563853530.db2.gz YXVJHGOWESOPDN-UHFFFAOYSA-N 0 0 334.806 5.555 40 0 EKABRN Fc1cccc(F)c1NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000019075135 563853644 /nfs/dbraw/zinc/85/36/44/563853644.db2.gz YFFFALGCXUZDCL-UHFFFAOYSA-N 0 0 333.190 5.081 40 0 EKABRN Fc1cccc(F)c1NC(=S)Nc1ccc(Cl)cc1Cl ZINC000019075137 563853515 /nfs/dbraw/zinc/85/35/15/563853515.db2.gz JNHNEGAUYQRYNY-UHFFFAOYSA-N 0 0 333.190 5.081 40 0 EKABRN CCOC(=O)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1 ZINC000019075532 563853495 /nfs/dbraw/zinc/85/34/95/563853495.db2.gz ZRQKGWKJCTUIRQ-UHFFFAOYSA-N 0 0 332.399 5.109 40 0 EKABRN O=C(CCc1ccccc1F)Nc1ccccc1Oc1ccccc1 ZINC000019164900 563854657 /nfs/dbraw/zinc/85/46/57/563854657.db2.gz QCIWCFKOLKAFMA-UHFFFAOYSA-N 0 0 335.378 5.189 40 0 EKABRN CCCCCCC1N2[C@H](CCCCCC)N[C@H](CCCCCC)N12 ZINC000019170339 202000077 /nfs/dbraw/zinc/00/00/77/202000077.db2.gz IJPBLGWXZQMFLK-KGQNPBSJSA-N 0 0 337.596 6.012 40 0 EKABRN CCCCCCC1N2[C@@H](CCCCCC)N[C@H](CCCCCC)N12 ZINC000019170341 563854838 /nfs/dbraw/zinc/85/48/38/563854838.db2.gz IJPBLGWXZQMFLK-KIRVNFFNSA-N 0 0 337.596 6.012 40 0 EKABRN CCCCCCC1N2[C@H](CCCCCC)N[C@@H](CCCCCC)N12 ZINC000019170344 212003167 /nfs/dbraw/zinc/00/31/67/212003167.db2.gz IJPBLGWXZQMFLK-YSSFQSMKSA-N 0 0 337.596 6.012 40 0 EKABRN O=C(Nc1ccc(Cl)cc1Cl)c1cc2cc(Cl)ccc2o1 ZINC000019197967 212003055 /nfs/dbraw/zinc/00/30/55/212003055.db2.gz ZMFUPLMKWJVNMF-UHFFFAOYSA-N 0 0 340.593 5.645 40 0 EKABRN COc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1Cl ZINC000019199667 212004132 /nfs/dbraw/zinc/00/41/32/212004132.db2.gz ZUGBRDXGPQFRDF-UHFFFAOYSA-N 0 0 336.174 5.001 40 0 EKABRN Cc1csc([C@H]2Cc3ccsc3[C@@H]([C@H](C)c3ccccc3)N2)n1 ZINC000019240269 202001666 /nfs/dbraw/zinc/00/16/66/202001666.db2.gz ZLPSSFCVBZYTFX-KBRIMQKVSA-N 0 0 340.517 5.245 40 0 EKABRN Cc1csc([C@H]2Cc3ccsc3[C@@H]([C@@H](C)c3ccccc3)N2)n1 ZINC000019240270 212008229 /nfs/dbraw/zinc/00/82/29/212008229.db2.gz ZLPSSFCVBZYTFX-IAOVAPTHSA-N 0 0 340.517 5.245 40 0 EKABRN c1coc(CN2CCCCC[C@H]2c2cc(-c3cccs3)on2)c1 ZINC000019342325 202006382 /nfs/dbraw/zinc/00/63/82/202006382.db2.gz HDCDQZCUGUXTPS-INIZCTEOSA-N 0 0 328.437 5.113 40 0 EKABRN c1coc(CN2CCCCC[C@@H]2c2cc(-c3cccs3)on2)c1 ZINC000019342328 212018595 /nfs/dbraw/zinc/01/85/95/212018595.db2.gz HDCDQZCUGUXTPS-MRXNPFEDSA-N 0 0 328.437 5.113 40 0 EKABRN Cc1nc([C@@H](Cc2ccsc2)NCc2ccc(F)cc2)sc1C ZINC000019559870 202011134 /nfs/dbraw/zinc/01/11/34/202011134.db2.gz GBJVDESBZLVFKX-QGZVFWFLSA-N 0 0 346.496 5.034 40 0 EKABRN Cc1nc([C@H](Cc2ccsc2)NCc2ccc(F)cc2)sc1C ZINC000019559873 212042167 /nfs/dbraw/zinc/04/21/67/212042167.db2.gz GBJVDESBZLVFKX-KRWDZBQOSA-N 0 0 346.496 5.034 40 0 EKABRN Cc1nc([C@@H](Cc2ccsc2)NCc2ccccc2F)sc1C ZINC000019559924 212042987 /nfs/dbraw/zinc/04/29/87/212042987.db2.gz GLWYSOFRZAACRH-QGZVFWFLSA-N 0 0 346.496 5.034 40 0 EKABRN Cc1nc([C@H](Cc2ccsc2)NCc2ccccc2F)sc1C ZINC000019559927 202011214 /nfs/dbraw/zinc/01/12/14/202011214.db2.gz GLWYSOFRZAACRH-KRWDZBQOSA-N 0 0 346.496 5.034 40 0 EKABRN Cc1ncccc1C(=O)Nc1cc2ccccc2nc1C1CCCCC1 ZINC000019582991 212046712 /nfs/dbraw/zinc/04/67/12/212046712.db2.gz RVRPBIYHLLLVAT-UHFFFAOYSA-N 0 0 345.446 5.238 40 0 EKABRN Cc1cccc(NC(=O)CSCc2ccc(Cl)cc2Cl)c1 ZINC000019647341 257856867 /nfs/dbraw/zinc/85/68/67/257856867.db2.gz LONFWFSHCXRZNA-UHFFFAOYSA-N 0 0 340.275 5.174 40 0 EKABRN Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)CC(C)(C)C)n1 ZINC000019690733 564128006 /nfs/dbraw/zinc/12/80/06/564128006.db2.gz JCFGAGYTBYUQOS-FQEVSTJZSA-N 0 0 336.479 5.157 40 0 EKABRN Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)CC(C)(C)C)n1 ZINC000019690734 564128014 /nfs/dbraw/zinc/12/80/14/564128014.db2.gz JCFGAGYTBYUQOS-HXUWFJFHSA-N 0 0 336.479 5.157 40 0 EKABRN Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000019690779 564128002 /nfs/dbraw/zinc/12/80/02/564128002.db2.gz YNGFDLZQBLWFQV-QFIPXVFZSA-N 0 0 342.442 5.034 40 0 EKABRN Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000019690780 564128001 /nfs/dbraw/zinc/12/80/01/564128001.db2.gz YNGFDLZQBLWFQV-JOCHJYFZSA-N 0 0 342.442 5.034 40 0 EKABRN Clc1ccc(C2=N[C@@H](c3ccccc3)N3[C@@H]2[C@@H]3c2ccccc2)cc1 ZINC000019800715 212069666 /nfs/dbraw/zinc/06/96/66/212069666.db2.gz JTMWJVWEVLMMNX-SVKILVKPSA-N 0 0 344.845 5.267 40 0 EKABRN Cc1cc2nc(SCc3ccc(Cl)cc3Cl)[nH]c2cc1C ZINC000019824768 564128095 /nfs/dbraw/zinc/12/80/95/564128095.db2.gz DPPFDHRPUFAAMI-UHFFFAOYSA-N 0 0 337.275 5.779 40 0 EKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000019862212 564025277 /nfs/dbraw/zinc/02/52/77/564025277.db2.gz QFEHNMKROHXPFO-IPJCAIGPSA-N 0 0 338.532 6.061 40 0 EKABRN Cc1[nH]c2ccccc2c1[C@H](Nc1ccccn1)c1ccc(C)cc1 ZINC000019864019 212077944 /nfs/dbraw/zinc/07/79/44/212077944.db2.gz CWBHEIWNECIDTB-JOCHJYFZSA-N 0 0 327.431 5.381 40 0 EKABRN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1ccc(C)cc1 ZINC000019864023 202023724 /nfs/dbraw/zinc/02/37/24/202023724.db2.gz CWBHEIWNECIDTB-QFIPXVFZSA-N 0 0 327.431 5.381 40 0 EKABRN CC1(C)N=C(c2cnc3ccccc3c2)c2cccc(F)c2C1(C)C ZINC000019873032 212077399 /nfs/dbraw/zinc/07/73/99/212077399.db2.gz GNUDLKJUYSXMNO-UHFFFAOYSA-N 0 0 332.422 5.281 40 0 EKABRN CCOc1ccc(-c2nc(Nc3ccc(F)cc3)sc2C)cc1 ZINC000019894526 202025551 /nfs/dbraw/zinc/02/55/51/202025551.db2.gz WSEHOVRRSRDYHI-UHFFFAOYSA-N 0 0 328.412 5.400 40 0 EKABRN Cn1c(=N)sc(-c2ccccc2)c1-c1ccc(-c2ccccc2)cc1 ZINC000019894559 212080886 /nfs/dbraw/zinc/08/08/86/212080886.db2.gz YLOQEHRPSMZAQF-UHFFFAOYSA-N 0 0 342.467 5.567 40 0 EKABRN CCCc1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccccc1 ZINC000019894598 212081119 /nfs/dbraw/zinc/08/11/19/212081119.db2.gz NYFQNKHGACZRAA-UHFFFAOYSA-N 0 0 336.460 5.323 40 0 EKABRN CC(=O)O[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C ZINC000019897766 212080792 /nfs/dbraw/zinc/08/07/92/212080792.db2.gz BQPVGKNJJQUGFW-AUGHHAEUSA-N 0 0 344.539 5.763 40 0 biogenic,in-vitro EKABRN Clc1ccc(-c2nnc(CSc3ccccc3)o2)c(Cl)c1 ZINC000019929542 212085299 /nfs/dbraw/zinc/08/52/99/212085299.db2.gz RKDQFNSZQWZGOX-UHFFFAOYSA-N 0 0 337.231 5.336 40 0 EKABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2C(C)C)c1 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/nfs/dbraw/zinc/04/30/68/202043068.db2.gz DMXDJEQZNWBUPN-HNNXBMFYSA-N 0 0 343.492 5.157 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000020456645 212131741 /nfs/dbraw/zinc/13/17/41/212131741.db2.gz JBQHURRARKLFMU-OAHLLOKOSA-N 0 0 340.275 5.503 40 0 EKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000020456646 212131939 /nfs/dbraw/zinc/13/19/39/212131939.db2.gz JBQHURRARKLFMU-HNNXBMFYSA-N 0 0 340.275 5.503 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)c2cc3c(ccc4ccccc34)o2)c(C)c1 ZINC000020456653 202043109 /nfs/dbraw/zinc/04/31/09/202043109.db2.gz POVJLBRVQDEYGL-MRXNPFEDSA-N 0 0 343.426 5.694 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)c2cc3c(ccc4ccccc34)o2)c(C)c1 ZINC000020456654 202042480 /nfs/dbraw/zinc/04/24/80/202042480.db2.gz POVJLBRVQDEYGL-INIZCTEOSA-N 0 0 343.426 5.694 40 0 EKABRN CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000020456676 202042651 /nfs/dbraw/zinc/04/26/51/202042651.db2.gz PZEAXQCQMKZSCI-OXQOHEQNSA-N 0 0 339.479 5.019 40 0 EKABRN CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000020456677 212131760 /nfs/dbraw/zinc/13/17/60/212131760.db2.gz PZEAXQCQMKZSCI-UZLBHIALSA-N 0 0 339.479 5.019 40 0 EKABRN CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000020456678 212132088 /nfs/dbraw/zinc/13/20/88/212132088.db2.gz PZEAXQCQMKZSCI-OXJNMPFZSA-N 0 0 339.479 5.019 40 0 EKABRN CC[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000020456679 212131714 /nfs/dbraw/zinc/13/17/14/212131714.db2.gz PZEAXQCQMKZSCI-JXFKEZNVSA-N 0 0 339.479 5.019 40 0 EKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc2ccccc2c1 ZINC000020456697 212132132 /nfs/dbraw/zinc/13/21/32/212132132.db2.gz BBDNRZJWRVHRPK-GOSISDBHSA-N 0 0 339.822 5.289 40 0 EKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2ccccc2c1 ZINC000020456698 212131807 /nfs/dbraw/zinc/13/18/07/212131807.db2.gz BBDNRZJWRVHRPK-SFHVURJKSA-N 0 0 339.822 5.289 40 0 EKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(Cl)ccc1C ZINC000020456897 202042562 /nfs/dbraw/zinc/04/25/62/202042562.db2.gz 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/nfs/dbraw/zinc/13/28/47/212132847.db2.gz NZOBUZDCMNUGGJ-HSZRJFAPSA-N 0 0 343.470 5.476 40 0 EKABRN CC[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000020457494 212132629 /nfs/dbraw/zinc/13/26/29/212132629.db2.gz NZOBUZDCMNUGGJ-QHCPKHFHSA-N 0 0 343.470 5.476 40 0 EKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1C ZINC000020457614 202043588 /nfs/dbraw/zinc/04/35/88/202043588.db2.gz AROHCGJVYUCJBE-OAHLLOKOSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1C ZINC000020457615 212132605 /nfs/dbraw/zinc/13/26/05/212132605.db2.gz AROHCGJVYUCJBE-HNNXBMFYSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(C)cc1 ZINC000020458020 212132675 /nfs/dbraw/zinc/13/26/75/212132675.db2.gz REZRFJHXKKPKNH-VGOFRKELSA-N 0 0 347.458 5.183 40 0 EKABRN CC[C@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(C)cc1 ZINC000020458021 202044454 /nfs/dbraw/zinc/04/44/54/202044454.db2.gz REZRFJHXKKPKNH-VGSWGCGISA-N 0 0 347.458 5.183 40 0 EKABRN CC[C@@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccc(C)cc1 ZINC000020458023 212132988 /nfs/dbraw/zinc/13/29/88/212132988.db2.gz REZRFJHXKKPKNH-HTAPYJJXSA-N 0 0 347.458 5.183 40 0 EKABRN CC[C@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccc(C)cc1 ZINC000020458025 202043969 /nfs/dbraw/zinc/04/39/69/202043969.db2.gz REZRFJHXKKPKNH-JTSKRJEESA-N 0 0 347.458 5.183 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)CSCc2cccc(Cl)c2)c(C)c1 ZINC000020458237 212133144 /nfs/dbraw/zinc/13/31/44/212133144.db2.gz AUAKQTZXGVEBBW-OAHLLOKOSA-N 0 0 347.911 5.067 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)CSCc2cccc(Cl)c2)c(C)c1 ZINC000020458238 212132808 /nfs/dbraw/zinc/13/28/08/212132808.db2.gz AUAKQTZXGVEBBW-HNNXBMFYSA-N 0 0 347.911 5.067 40 0 EKABRN Cc1ccccc1[C@@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000020458548 212133205 /nfs/dbraw/zinc/13/32/05/212133205.db2.gz QNOKSUKUZTVHSS-FQEVSTJZSA-N 0 0 335.834 5.168 40 0 EKABRN Cc1ccccc1[C@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000020458550 212132643 /nfs/dbraw/zinc/13/26/43/212132643.db2.gz QNOKSUKUZTVHSS-HXUWFJFHSA-N 0 0 335.834 5.168 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000020458754 212132894 /nfs/dbraw/zinc/13/28/94/212132894.db2.gz ZGNSPEVKVCVVAQ-OAHLLOKOSA-N 0 0 341.810 5.128 40 0 EKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000020458755 202044293 /nfs/dbraw/zinc/04/42/93/202044293.db2.gz ZGNSPEVKVCVVAQ-HNNXBMFYSA-N 0 0 341.810 5.128 40 0 EKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1cc(C)ccc1C ZINC000020459394 212132853 /nfs/dbraw/zinc/13/28/53/212132853.db2.gz BSIFQEKZLLKZKA-HXUWFJFHSA-N 0 0 333.431 5.253 40 0 EKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1cc(C)ccc1C ZINC000020459395 212132922 /nfs/dbraw/zinc/13/29/22/212132922.db2.gz BSIFQEKZLLKZKA-FQEVSTJZSA-N 0 0 333.431 5.253 40 0 EKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(Cl)c1C ZINC000020459415 212132904 /nfs/dbraw/zinc/13/29/04/212132904.db2.gz MIDXYVDFOYVWQE-GOSISDBHSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(Cl)c1C ZINC000020459416 212133217 /nfs/dbraw/zinc/13/32/17/212133217.db2.gz MIDXYVDFOYVWQE-SFHVURJKSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(C)C ZINC000020459516 212132757 /nfs/dbraw/zinc/13/27/57/212132757.db2.gz VQOGTHWOPKBLIB-HXUWFJFHSA-N 0 0 325.452 5.223 40 0 EKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(C)C ZINC000020459517 202043913 /nfs/dbraw/zinc/04/39/13/202043913.db2.gz VQOGTHWOPKBLIB-FQEVSTJZSA-N 0 0 325.452 5.223 40 0 EKABRN C[C@@H](NC(=O)c1cc2c(ccc3ccccc23)o1)c1ccc(F)cc1 ZINC000020459683 212133793 /nfs/dbraw/zinc/13/37/93/212133793.db2.gz QHNRTXXHSCSRIT-CYBMUJFWSA-N 0 0 333.362 5.216 40 0 EKABRN C[C@H](NC(=O)c1cc2c(ccc3ccccc23)o1)c1ccc(F)cc1 ZINC000020459684 202044338 /nfs/dbraw/zinc/04/43/38/202044338.db2.gz QHNRTXXHSCSRIT-ZDUSSCGKSA-N 0 0 333.362 5.216 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2)c(C)c1 ZINC000020459722 212133538 /nfs/dbraw/zinc/13/35/38/212133538.db2.gz RTPVWPXPHCYZGY-OAHLLOKOSA-N 0 0 347.911 5.067 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)CSCc2ccc(Cl)cc2)c(C)c1 ZINC000020459723 212133887 /nfs/dbraw/zinc/13/38/87/212133887.db2.gz RTPVWPXPHCYZGY-HNNXBMFYSA-N 0 0 347.911 5.067 40 0 EKABRN CCSc1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1Cl ZINC000020459855 212133950 /nfs/dbraw/zinc/13/39/50/212133950.db2.gz OGOUVVBLFGPYBX-OAHLLOKOSA-N 0 0 349.883 5.248 40 0 EKABRN CCSc1ccccc1NC(=O)[C@H](CC)Oc1ccccc1Cl ZINC000020459856 212134011 /nfs/dbraw/zinc/13/40/11/212134011.db2.gz OGOUVVBLFGPYBX-HNNXBMFYSA-N 0 0 349.883 5.248 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000020459863 212133383 /nfs/dbraw/zinc/13/33/83/212133383.db2.gz WFBLIBXAVWJOLK-QGZVFWFLSA-N 0 0 347.867 5.052 40 0 EKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000020459864 212133585 /nfs/dbraw/zinc/13/35/85/212133585.db2.gz WFBLIBXAVWJOLK-KRWDZBQOSA-N 0 0 347.867 5.052 40 0 EKABRN CCOc1cccc(NC(=O)[C@@H](CC)Oc2cccc3ccccc32)c1 ZINC000020459947 212133828 /nfs/dbraw/zinc/13/38/28/212133828.db2.gz UAKOQRBSNHWUTQ-HXUWFJFHSA-N 0 0 349.430 5.035 40 0 EKABRN CCOc1cccc(NC(=O)[C@H](CC)Oc2cccc3ccccc32)c1 ZINC000020459948 212133473 /nfs/dbraw/zinc/13/34/73/212133473.db2.gz UAKOQRBSNHWUTQ-FQEVSTJZSA-N 0 0 349.430 5.035 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000020459981 212133449 /nfs/dbraw/zinc/13/34/49/212133449.db2.gz IBRLICOWUXUWLF-LJQANCHMSA-N 0 0 343.470 5.271 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000020459982 212133935 /nfs/dbraw/zinc/13/39/35/212133935.db2.gz IBRLICOWUXUWLF-IBGZPJMESA-N 0 0 343.470 5.271 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000020460316 202044568 /nfs/dbraw/zinc/04/45/68/202044568.db2.gz YTCLQPIOKLCCAM-SCLBCKFNSA-N 0 0 345.895 5.189 40 0 EKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000020460317 212133923 /nfs/dbraw/zinc/13/39/23/212133923.db2.gz YTCLQPIOKLCCAM-UGSOOPFHSA-N 0 0 345.895 5.189 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000020460318 202043875 /nfs/dbraw/zinc/04/38/75/202043875.db2.gz YTCLQPIOKLCCAM-FZKQIMNGSA-N 0 0 345.895 5.189 40 0 EKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000020460319 212133438 /nfs/dbraw/zinc/13/34/38/212133438.db2.gz YTCLQPIOKLCCAM-ACJLOTCBSA-N 0 0 345.895 5.189 40 0 EKABRN CCCCc1ccc(NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)cc1 ZINC000020460368 212133896 /nfs/dbraw/zinc/13/38/96/212133896.db2.gz OIWAKQYYWDUTHF-HXUWFJFHSA-N 0 0 339.479 5.442 40 0 EKABRN CCCCc1ccc(NC(=O)[C@H](CC)Oc2cc(C)ccc2C)cc1 ZINC000020460369 202043997 /nfs/dbraw/zinc/04/39/97/202043997.db2.gz OIWAKQYYWDUTHF-FQEVSTJZSA-N 0 0 339.479 5.442 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCCc2ccccc21 ZINC000020460425 563859448 /nfs/dbraw/zinc/85/94/48/563859448.db2.gz BULRYWSCAYPZKS-GOSISDBHSA-N 0 0 345.895 5.190 40 0 EKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCCc2ccccc21 ZINC000020460426 563859379 /nfs/dbraw/zinc/85/93/79/563859379.db2.gz BULRYWSCAYPZKS-SFHVURJKSA-N 0 0 345.895 5.190 40 0 EKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1C ZINC000020460436 212133532 /nfs/dbraw/zinc/13/35/32/212133532.db2.gz BEIGVYTVKSDLQR-MRXNPFEDSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1C ZINC000020460437 212133698 /nfs/dbraw/zinc/13/36/98/212133698.db2.gz BEIGVYTVKSDLQR-INIZCTEOSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@@H](NC(=O)CSCc1ccccc1Cl)c1ccc(C)cc1 ZINC000020460700 212133748 /nfs/dbraw/zinc/13/37/48/212133748.db2.gz JVBNBERJNKQIMN-GOSISDBHSA-N 0 0 347.911 5.149 40 0 EKABRN CC[C@H](NC(=O)CSCc1ccccc1Cl)c1ccc(C)cc1 ZINC000020460701 212133846 /nfs/dbraw/zinc/13/38/46/212133846.db2.gz JVBNBERJNKQIMN-SFHVURJKSA-N 0 0 347.911 5.149 40 0 EKABRN CCSc1ccccc1NC(=O)[C@@H](C)Sc1ccc(C)cc1 ZINC000020460914 212133991 /nfs/dbraw/zinc/13/39/91/212133991.db2.gz BDOFDLGMXJMUDY-CQSZACIVSA-N 0 0 331.506 5.226 40 0 EKABRN CCSc1ccccc1NC(=O)[C@H](C)Sc1ccc(C)cc1 ZINC000020460915 212133984 /nfs/dbraw/zinc/13/39/84/212133984.db2.gz BDOFDLGMXJMUDY-AWEZNQCLSA-N 0 0 331.506 5.226 40 0 EKABRN CC(C)Oc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 ZINC000020460989 212133621 /nfs/dbraw/zinc/13/36/21/212133621.db2.gz VUFWNKHROVJIID-MRXNPFEDSA-N 0 0 341.451 5.003 40 0 EKABRN CC(C)Oc1cccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 ZINC000020460990 212133890 /nfs/dbraw/zinc/13/38/90/212133890.db2.gz VUFWNKHROVJIID-INIZCTEOSA-N 0 0 341.451 5.003 40 0 EKABRN C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000020461025 212133552 /nfs/dbraw/zinc/13/35/52/212133552.db2.gz CYFXAFXIVPBYOB-FZPLPXEFSA-N 0 0 338.209 5.023 40 0 EKABRN C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000020461026 212133445 /nfs/dbraw/zinc/13/34/45/212133445.db2.gz CYFXAFXIVPBYOB-NKLKJHRZSA-N 0 0 338.209 5.023 40 0 EKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C)ccc1C ZINC000020461122 202044542 /nfs/dbraw/zinc/04/45/42/202044542.db2.gz PBYXTBUVOAJOOX-OAQYLSRUSA-N 0 0 333.431 5.253 40 0 EKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C)ccc1C ZINC000020461124 212133657 /nfs/dbraw/zinc/13/36/57/212133657.db2.gz PBYXTBUVOAJOOX-NRFANRHFSA-N 0 0 333.431 5.253 40 0 EKABRN CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 ZINC000020481470 202044329 /nfs/dbraw/zinc/04/43/29/202044329.db2.gz JZAWJPFPWNYVJU-OAQYLSRUSA-N 0 0 347.458 5.507 40 0 EKABRN CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1ccc2ccccc2c1 ZINC000020481472 212136404 /nfs/dbraw/zinc/13/64/04/212136404.db2.gz JZAWJPFPWNYVJU-NRFANRHFSA-N 0 0 347.458 5.507 40 0 EKABRN CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccccc1 ZINC000020481497 212136844 /nfs/dbraw/zinc/13/68/44/212136844.db2.gz YLFIXYKYTWSLNH-DNVCBOLYSA-N 0 0 345.870 5.011 40 0 EKABRN CC(C)C[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccccc1 ZINC000020481500 212137022 /nfs/dbraw/zinc/13/70/22/212137022.db2.gz YLFIXYKYTWSLNH-BEFAXECRSA-N 0 0 345.870 5.011 40 0 EKABRN CC(C)C[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccccc1 ZINC000020481502 212136768 /nfs/dbraw/zinc/13/67/68/212136768.db2.gz YLFIXYKYTWSLNH-HNAYVOBHSA-N 0 0 345.870 5.011 40 0 EKABRN CC(C)C[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccccc1 ZINC000020481505 212136985 /nfs/dbraw/zinc/13/69/85/212136985.db2.gz YLFIXYKYTWSLNH-KXBFYZLASA-N 0 0 345.870 5.011 40 0 EKABRN O=C(CSCc1ccc(F)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000020481922 202044889 /nfs/dbraw/zinc/04/48/89/202044889.db2.gz DCPZIXGSTKALCN-UHFFFAOYSA-N 0 0 344.238 5.004 40 0 EKABRN CCSc1ccccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000020482171 212136905 /nfs/dbraw/zinc/13/69/05/212136905.db2.gz YCGRAISCTWKUGB-UHFFFAOYSA-N 0 0 349.883 5.086 40 0 EKABRN Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000020482939 212136650 /nfs/dbraw/zinc/13/66/50/212136650.db2.gz WDHJXRHVUQWCJT-AWEZNQCLSA-N 0 0 331.843 5.178 40 0 EKABRN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000020482941 212136970 /nfs/dbraw/zinc/13/69/70/212136970.db2.gz WDHJXRHVUQWCJT-CQSZACIVSA-N 0 0 331.843 5.178 40 0 EKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1c(C)cccc1C(C)C ZINC000020484161 212137126 /nfs/dbraw/zinc/13/71/26/212137126.db2.gz HLEJFSWPMJLRBY-HXUWFJFHSA-N 0 0 339.479 5.531 40 0 EKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1c(C)cccc1C(C)C ZINC000020484164 212137038 /nfs/dbraw/zinc/13/70/38/212137038.db2.gz HLEJFSWPMJLRBY-FQEVSTJZSA-N 0 0 339.479 5.531 40 0 EKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc2ccccc21 ZINC000020484202 212136706 /nfs/dbraw/zinc/13/67/06/212136706.db2.gz MSYWYERPUCPKRU-GOSISDBHSA-N 0 0 339.822 5.289 40 0 EKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc2ccccc21 ZINC000020484205 212136516 /nfs/dbraw/zinc/13/65/16/212136516.db2.gz MSYWYERPUCPKRU-SFHVURJKSA-N 0 0 339.822 5.289 40 0 EKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1c(C)cc(C)cc1C ZINC000020484705 212137775 /nfs/dbraw/zinc/13/77/75/212137775.db2.gz RGSBFKUNIYYKTK-MRXNPFEDSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1c(C)cc(C)cc1C ZINC000020484708 212137767 /nfs/dbraw/zinc/13/77/67/212137767.db2.gz RGSBFKUNIYYKTK-INIZCTEOSA-N 0 0 331.843 5.061 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc32)c(C)c1 ZINC000020484938 212137332 /nfs/dbraw/zinc/13/73/32/212137332.db2.gz VGDWSKZSYYIJNY-QZTJIDSGSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc32)c(C)c1 ZINC000020484940 212137910 /nfs/dbraw/zinc/13/79/10/212137910.db2.gz VGDWSKZSYYIJNY-ZWKOTPCHSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc32)c(C)c1 ZINC000020484943 212137873 /nfs/dbraw/zinc/13/78/73/212137873.db2.gz VGDWSKZSYYIJNY-MSOLQXFVSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc32)c(C)c1 ZINC000020484945 202044871 /nfs/dbraw/zinc/04/48/71/202044871.db2.gz VGDWSKZSYYIJNY-ROUUACIJSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c(C)c1 ZINC000020485470 212137622 /nfs/dbraw/zinc/13/76/22/212137622.db2.gz WKXRWHZIQVXMBU-KRWDZBQOSA-N 0 0 325.452 5.141 40 0 EKABRN Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c(C)c1 ZINC000020485473 212137894 /nfs/dbraw/zinc/13/78/94/212137894.db2.gz WKXRWHZIQVXMBU-QGZVFWFLSA-N 0 0 325.452 5.141 40 0 EKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000020485598 212137505 /nfs/dbraw/zinc/13/75/05/212137505.db2.gz NPWRVOFDDRFYGY-OAHLLOKOSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000020485601 212137682 /nfs/dbraw/zinc/13/76/82/212137682.db2.gz NPWRVOFDDRFYGY-HNNXBMFYSA-N 0 0 338.234 5.098 40 0 EKABRN COc1cc2ccccc2cc1C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000020486361 212137722 /nfs/dbraw/zinc/13/77/22/212137722.db2.gz HKECCIMCXFSAIP-NRFANRHFSA-N 0 0 347.458 5.366 40 0 EKABRN COc1cc2ccccc2cc1C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000020486362 202045290 /nfs/dbraw/zinc/04/52/90/202045290.db2.gz HKECCIMCXFSAIP-OAQYLSRUSA-N 0 0 347.458 5.366 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000020486578 202044963 /nfs/dbraw/zinc/04/49/63/202044963.db2.gz QJVKXOUGXMMHMX-GOSISDBHSA-N 0 0 347.911 5.973 40 0 EKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000020486581 212137528 /nfs/dbraw/zinc/13/75/28/212137528.db2.gz QJVKXOUGXMMHMX-SFHVURJKSA-N 0 0 347.911 5.973 40 0 EKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(Cl)cc1 ZINC000020488176 212137770 /nfs/dbraw/zinc/13/77/70/212137770.db2.gz ILNZPDPMRNJDOD-GOSISDBHSA-N 0 0 339.822 5.289 40 0 EKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(Cl)cc1 ZINC000020488178 212137282 /nfs/dbraw/zinc/13/72/82/212137282.db2.gz ILNZPDPMRNJDOD-SFHVURJKSA-N 0 0 339.822 5.289 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(C)cc1 ZINC000020488272 212137390 /nfs/dbraw/zinc/13/73/90/212137390.db2.gz WEPNBHXUCHXRFP-GOSISDBHSA-N 0 0 347.911 5.178 40 0 EKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(C)cc1 ZINC000020488274 212137537 /nfs/dbraw/zinc/13/75/37/212137537.db2.gz WEPNBHXUCHXRFP-SFHVURJKSA-N 0 0 347.911 5.178 40 0 EKABRN Cc1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000020488849 212138631 /nfs/dbraw/zinc/13/86/31/212138631.db2.gz DSFFPICXEOQLOZ-UHFFFAOYSA-N 0 0 340.275 5.174 40 0 EKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cccc2ccccc21 ZINC000020489212 202045397 /nfs/dbraw/zinc/04/53/97/202045397.db2.gz RHNXXJSADZYUNC-HXUWFJFHSA-N 0 0 333.431 5.253 40 0 EKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc2ccccc21 ZINC000020489214 212138461 /nfs/dbraw/zinc/13/84/61/212138461.db2.gz RHNXXJSADZYUNC-FQEVSTJZSA-N 0 0 333.431 5.253 40 0 EKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1c(C)cc(C)cc1C ZINC000020489318 212138588 /nfs/dbraw/zinc/13/85/88/212138588.db2.gz MGDYKEOJWURKIP-QGZVFWFLSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1c(C)cc(C)cc1C ZINC000020489320 212138347 /nfs/dbraw/zinc/13/83/47/212138347.db2.gz MGDYKEOJWURKIP-KRWDZBQOSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000020489463 212138132 /nfs/dbraw/zinc/13/81/32/212138132.db2.gz IMHZCWJJJDTZDM-QGZVFWFLSA-N 0 0 333.884 5.008 40 0 EKABRN CC[C@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000020489465 212138184 /nfs/dbraw/zinc/13/81/84/212138184.db2.gz IMHZCWJJJDTZDM-KRWDZBQOSA-N 0 0 333.884 5.008 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)c(C)c1 ZINC000020489476 212138440 /nfs/dbraw/zinc/13/84/40/212138440.db2.gz FHMHDENGVYAWOQ-ROUUACIJSA-N 0 0 339.479 5.072 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c(C)c1 ZINC000020489478 202045363 /nfs/dbraw/zinc/04/53/63/202045363.db2.gz FHMHDENGVYAWOQ-ZWKOTPCHSA-N 0 0 339.479 5.072 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)c(C)c1 ZINC000020489480 202045558 /nfs/dbraw/zinc/04/55/58/202045558.db2.gz FHMHDENGVYAWOQ-MSOLQXFVSA-N 0 0 339.479 5.072 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c(C)c1 ZINC000020489482 212138629 /nfs/dbraw/zinc/13/86/29/212138629.db2.gz FHMHDENGVYAWOQ-QZTJIDSGSA-N 0 0 339.479 5.072 40 0 EKABRN CCSc1ccccc1NC(=O)[C@@H](CC)Oc1cccc(Cl)c1 ZINC000020489644 212138824 /nfs/dbraw/zinc/13/88/24/212138824.db2.gz VQPRNAVWUPBNBO-MRXNPFEDSA-N 0 0 349.883 5.248 40 0 EKABRN CCSc1ccccc1NC(=O)[C@H](CC)Oc1cccc(Cl)c1 ZINC000020489646 202045033 /nfs/dbraw/zinc/04/50/33/202045033.db2.gz VQPRNAVWUPBNBO-INIZCTEOSA-N 0 0 349.883 5.248 40 0 EKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000020489779 202045326 /nfs/dbraw/zinc/04/53/26/202045326.db2.gz BFOVYCYYVYAKIZ-INIZCTEOSA-N 0 0 333.431 5.369 40 0 EKABRN CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000020489781 212138685 /nfs/dbraw/zinc/13/86/85/212138685.db2.gz BFOVYCYYVYAKIZ-MRXNPFEDSA-N 0 0 333.431 5.369 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C)c1C ZINC000020490088 212138280 /nfs/dbraw/zinc/13/82/80/212138280.db2.gz ZZYNMMWDVCFWAQ-QGZVFWFLSA-N 0 0 333.884 5.466 40 0 EKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C)c1C ZINC000020490090 202045306 /nfs/dbraw/zinc/04/53/06/202045306.db2.gz ZZYNMMWDVCFWAQ-KRWDZBQOSA-N 0 0 333.884 5.466 40 0 EKABRN CCSc1ccccc1NC(=O)[C@@H](CC)Oc1cc(C)ccc1C ZINC000020490583 212138479 /nfs/dbraw/zinc/13/84/79/212138479.db2.gz RLRXYKZIOBZVTC-QGZVFWFLSA-N 0 0 343.492 5.212 40 0 EKABRN CCSc1ccccc1NC(=O)[C@H](CC)Oc1cc(C)ccc1C ZINC000020490585 202045028 /nfs/dbraw/zinc/04/50/28/202045028.db2.gz RLRXYKZIOBZVTC-KRWDZBQOSA-N 0 0 343.492 5.212 40 0 EKABRN CC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(OC)cc1 ZINC000020490681 212138392 /nfs/dbraw/zinc/13/83/92/212138392.db2.gz HXAXHHOFUILFGC-JOCHJYFZSA-N 0 0 345.442 5.243 40 0 EKABRN CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(OC)cc1 ZINC000020490683 212138780 /nfs/dbraw/zinc/13/87/80/212138780.db2.gz HXAXHHOFUILFGC-QFIPXVFZSA-N 0 0 345.442 5.243 40 0 EKABRN CCc1ccc(NC(=O)[C@@H](CC)Oc2cccc3ccccc32)cc1 ZINC000020491995 212139090 /nfs/dbraw/zinc/13/90/90/212139090.db2.gz ZOSNQADTBPUSQY-HXUWFJFHSA-N 0 0 333.431 5.198 40 0 EKABRN CCc1ccc(NC(=O)[C@H](CC)Oc2cccc3ccccc32)cc1 ZINC000020491997 212139662 /nfs/dbraw/zinc/13/96/62/212139662.db2.gz ZOSNQADTBPUSQY-FQEVSTJZSA-N 0 0 333.431 5.198 40 0 EKABRN CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)c1 ZINC000020492490 202046949 /nfs/dbraw/zinc/04/69/49/202046949.db2.gz CPZJXEYUWDHITF-OAQYLSRUSA-N 0 0 349.430 5.035 40 0 EKABRN CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)c1 ZINC000020492491 212139756 /nfs/dbraw/zinc/13/97/56/212139756.db2.gz CPZJXEYUWDHITF-NRFANRHFSA-N 0 0 349.430 5.035 40 0 EKABRN CCc1ccc(NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1 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CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(Cl)ccc1C ZINC000020493416 202046948 /nfs/dbraw/zinc/04/69/48/202046948.db2.gz UPMNCZSUTWFIOI-QGZVFWFLSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(Cl)ccc1C ZINC000020493417 202046241 /nfs/dbraw/zinc/04/62/41/202046241.db2.gz UPMNCZSUTWFIOI-KRWDZBQOSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C)cc1C ZINC000020493670 202046509 /nfs/dbraw/zinc/04/65/09/202046509.db2.gz YSCJMJDLLYVKEJ-OAQYLSRUSA-N 0 0 333.431 5.253 40 0 EKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C)cc1C ZINC000020493671 202046332 /nfs/dbraw/zinc/04/63/32/202046332.db2.gz YSCJMJDLLYVKEJ-NRFANRHFSA-N 0 0 333.431 5.253 40 0 EKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)cc1C ZINC000020493827 212139985 /nfs/dbraw/zinc/13/99/85/212139985.db2.gz JYXURBXUMWUNDF-GOSISDBHSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)cc1C ZINC000020493829 202046046 /nfs/dbraw/zinc/04/60/46/202046046.db2.gz JYXURBXUMWUNDF-SFHVURJKSA-N 0 0 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ZINC000022514592 202086091 /nfs/dbraw/zinc/08/60/91/202086091.db2.gz BSYZUSIEGIAGHD-FQEVSTJZSA-N 0 0 347.458 5.561 40 0 EKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000022515076 212303567 /nfs/dbraw/zinc/30/35/67/212303567.db2.gz HAZRLMYZPZQUDI-QGZVFWFLSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000022515081 212303793 /nfs/dbraw/zinc/30/37/93/212303793.db2.gz HAZRLMYZPZQUDI-KRWDZBQOSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(Cl)c1C ZINC000022515546 212302932 /nfs/dbraw/zinc/30/29/32/212302932.db2.gz ZBNMOXCMRJSRHB-QGZVFWFLSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(Cl)c1C ZINC000022515550 212303480 /nfs/dbraw/zinc/30/34/80/212303480.db2.gz ZBNMOXCMRJSRHB-KRWDZBQOSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@@H](NC(=O)CSCc1cc(C)cc(C)c1)c1ccc(C)cc1 ZINC000022515910 212303307 /nfs/dbraw/zinc/30/33/07/212303307.db2.gz JGUGCPRNVURBDQ-HXUWFJFHSA-N 0 0 341.520 5.113 40 0 EKABRN CC[C@H](NC(=O)CSCc1cc(C)cc(C)c1)c1ccc(C)cc1 ZINC000022515915 202086787 /nfs/dbraw/zinc/08/67/87/202086787.db2.gz JGUGCPRNVURBDQ-FQEVSTJZSA-N 0 0 341.520 5.113 40 0 EKABRN Cc1ccc(C)c(CC(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000022517258 202086552 /nfs/dbraw/zinc/08/65/52/202086552.db2.gz YDBPBTKBMYCHCL-UHFFFAOYSA-N 0 0 331.415 5.277 40 0 EKABRN CC(C)C[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccccc1 ZINC000022517677 212303913 /nfs/dbraw/zinc/30/39/13/212303913.db2.gz FEEINWDPZAKZRR-JXOMPUQVSA-N 0 0 327.855 5.257 40 0 EKABRN CC(C)C[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccccc1 ZINC000022517682 212303467 /nfs/dbraw/zinc/30/34/67/212303467.db2.gz FEEINWDPZAKZRR-HYSAVQALSA-N 0 0 327.855 5.257 40 0 EKABRN CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1 ZINC000022517702 212303299 /nfs/dbraw/zinc/30/32/99/212303299.db2.gz NTUCOTPRFCVALK-OAQYLSRUSA-N 0 0 333.431 5.198 40 0 EKABRN CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1 ZINC000022517708 202086868 /nfs/dbraw/zinc/08/68/68/202086868.db2.gz NTUCOTPRFCVALK-NRFANRHFSA-N 0 0 333.431 5.198 40 0 EKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1cccc(F)c1 ZINC000022518174 212303557 /nfs/dbraw/zinc/30/35/57/212303557.db2.gz CCCVMHMONFFBEO-UHFFFAOYSA-N 0 0 344.238 5.004 40 0 EKABRN CN(C(=O)c1ccc(CSc2ccccc2)cc1)C1CCCCC1 ZINC000022518492 202086243 /nfs/dbraw/zinc/08/62/43/202086243.db2.gz QNJHSODPRIPDKD-UHFFFAOYSA-N 0 0 339.504 5.384 40 0 EKABRN CN(C(=O)c1ccccc1SCc1ccccc1)C1CCCCC1 ZINC000022518534 212303904 /nfs/dbraw/zinc/30/39/04/212303904.db2.gz WOBYVRUHIAVTHP-UHFFFAOYSA-N 0 0 339.504 5.384 40 0 EKABRN CN(C(=O)CSCc1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000022521721 212304237 /nfs/dbraw/zinc/30/42/37/212304237.db2.gz UEHHLLNWJJFEJY-UHFFFAOYSA-N 0 0 346.323 5.018 40 0 EKABRN CCCCc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 ZINC000022521829 212304890 /nfs/dbraw/zinc/30/48/90/212304890.db2.gz MADPFLWORXYLJD-QGZVFWFLSA-N 0 0 325.452 5.052 40 0 EKABRN CCCCc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 ZINC000022521833 212304084 /nfs/dbraw/zinc/30/40/84/212304084.db2.gz MADPFLWORXYLJD-KRWDZBQOSA-N 0 0 325.452 5.052 40 0 EKABRN CC(C)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 ZINC000022522747 202086181 /nfs/dbraw/zinc/08/61/81/202086181.db2.gz DPLZBULSYWCFNV-MRXNPFEDSA-N 0 0 325.452 5.339 40 0 EKABRN CC(C)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 ZINC000022522751 212304595 /nfs/dbraw/zinc/30/45/95/212304595.db2.gz DPLZBULSYWCFNV-INIZCTEOSA-N 0 0 325.452 5.339 40 0 EKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1 ZINC000022523226 212304557 /nfs/dbraw/zinc/30/45/57/212304557.db2.gz LFKAXQWVFVXHPK-LJQANCHMSA-N 0 0 339.822 5.289 40 0 EKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1 ZINC000022523233 212305039 /nfs/dbraw/zinc/30/50/39/212305039.db2.gz LFKAXQWVFVXHPK-IBGZPJMESA-N 0 0 339.822 5.289 40 0 EKABRN Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000022524358 212304455 /nfs/dbraw/zinc/30/44/55/212304455.db2.gz LHEZUYZRWRBRNA-QGZVFWFLSA-N 0 0 347.414 5.193 40 0 EKABRN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000022524366 212304967 /nfs/dbraw/zinc/30/49/67/212304967.db2.gz LHEZUYZRWRBRNA-KRWDZBQOSA-N 0 0 347.414 5.193 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C)cc1C ZINC000022526087 202087017 /nfs/dbraw/zinc/08/70/17/202087017.db2.gz IOKLMVSVLHYCIU-QGZVFWFLSA-N 0 0 333.884 5.466 40 0 EKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C)cc1C ZINC000022526091 212304799 /nfs/dbraw/zinc/30/47/99/212304799.db2.gz IOKLMVSVLHYCIU-KRWDZBQOSA-N 0 0 333.884 5.466 40 0 EKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000022527737 202086751 /nfs/dbraw/zinc/08/67/51/202086751.db2.gz VXUPCRYDJGMQRK-LAUBAEHRSA-N 0 0 347.458 5.183 40 0 EKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000022527741 202086247 /nfs/dbraw/zinc/08/62/47/202086247.db2.gz VXUPCRYDJGMQRK-UWJYYQICSA-N 0 0 347.458 5.183 40 0 EKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000022527745 202087000 /nfs/dbraw/zinc/08/70/00/202087000.db2.gz VXUPCRYDJGMQRK-DYESRHJHSA-N 0 0 347.458 5.183 40 0 EKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000022527750 212305102 /nfs/dbraw/zinc/30/51/02/212305102.db2.gz VXUPCRYDJGMQRK-UTKZUKDTSA-N 0 0 347.458 5.183 40 0 EKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1c(C)cccc1C(C)C ZINC000022527944 212305209 /nfs/dbraw/zinc/30/52/09/212305209.db2.gz CWESIFQGTNMZCJ-QGZVFWFLSA-N 0 0 345.870 5.568 40 0 EKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1c(C)cccc1C(C)C ZINC000022527949 212304743 /nfs/dbraw/zinc/30/47/43/212304743.db2.gz CWESIFQGTNMZCJ-KRWDZBQOSA-N 0 0 345.870 5.568 40 0 EKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000022528671 202086846 /nfs/dbraw/zinc/08/68/46/202086846.db2.gz FADOVNYIFQIMOF-LBPRGKRZSA-N 0 0 335.806 5.009 40 0 EKABRN CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000022528676 202086131 /nfs/dbraw/zinc/08/61/31/202086131.db2.gz FADOVNYIFQIMOF-GFCCVEGCSA-N 0 0 335.806 5.009 40 0 EKABRN CC[C@@H](NC(=O)c1cc2c(ccc3ccccc23)o1)c1ccc(C)cc1 ZINC000022528921 212305397 /nfs/dbraw/zinc/30/53/97/212305397.db2.gz DKFOYLBZZWQFOL-HXUWFJFHSA-N 0 0 343.426 5.776 40 0 EKABRN CC[C@H](NC(=O)c1cc2c(ccc3ccccc23)o1)c1ccc(C)cc1 ZINC000022528928 212306227 /nfs/dbraw/zinc/30/62/27/212306227.db2.gz DKFOYLBZZWQFOL-FQEVSTJZSA-N 0 0 343.426 5.776 40 0 EKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1cccc(Cl)c1 ZINC000022529127 212306065 /nfs/dbraw/zinc/30/60/65/212306065.db2.gz NLGBXRWNCVIBSK-GOSISDBHSA-N 0 0 339.822 5.289 40 0 EKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1cccc(Cl)c1 ZINC000022529132 212305911 /nfs/dbraw/zinc/30/59/11/212305911.db2.gz NLGBXRWNCVIBSK-SFHVURJKSA-N 0 0 339.822 5.289 40 0 EKABRN CC(C)C[C@@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccccc1 ZINC000022530115 212305575 /nfs/dbraw/zinc/30/55/75/212305575.db2.gz LIBOVZQKPBUACM-OAQYLSRUSA-N 0 0 339.479 5.092 40 0 EKABRN CC(C)C[C@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccccc1 ZINC000022530121 212305695 /nfs/dbraw/zinc/30/56/95/212305695.db2.gz LIBOVZQKPBUACM-NRFANRHFSA-N 0 0 339.479 5.092 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 ZINC000022532754 212305416 /nfs/dbraw/zinc/30/54/16/212305416.db2.gz GHZWDSRBOGWQPO-BFWROUECSA-N 0 0 341.454 5.413 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 ZINC000022532761 202087708 /nfs/dbraw/zinc/08/77/08/202087708.db2.gz GHZWDSRBOGWQPO-SNAUHIFDSA-N 0 0 341.454 5.413 40 0 EKABRN Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1C ZINC000022538015 212305379 /nfs/dbraw/zinc/30/53/79/212305379.db2.gz KVNYZQJNVMRGAT-CYBMUJFWSA-N 0 0 336.262 5.410 40 0 EKABRN Cc1cc(C)c([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1C ZINC000022538019 212305894 /nfs/dbraw/zinc/30/58/94/212305894.db2.gz KVNYZQJNVMRGAT-ZDUSSCGKSA-N 0 0 336.262 5.410 40 0 EKABRN Cc1cc(C)c([C@@H](C)NC(=O)c2cccc(C(F)(F)F)c2)cc1C ZINC000022538126 212306107 /nfs/dbraw/zinc/30/61/07/212306107.db2.gz OUJGBPGBQPYLAS-CQSZACIVSA-N 0 0 335.369 5.122 40 0 EKABRN Cc1cc(C)c([C@H](C)NC(=O)c2cccc(C(F)(F)F)c2)cc1C ZINC000022538130 212306008 /nfs/dbraw/zinc/30/60/08/212306008.db2.gz OUJGBPGBQPYLAS-AWEZNQCLSA-N 0 0 335.369 5.122 40 0 EKABRN Cc1cc(C)c([C@@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1C ZINC000022540212 212305419 /nfs/dbraw/zinc/30/54/19/212305419.db2.gz WBZKYPFDOYNTJE-CQSZACIVSA-N 0 0 335.369 5.122 40 0 EKABRN Cc1cc(C)c([C@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1C ZINC000022540215 212306044 /nfs/dbraw/zinc/30/60/44/212306044.db2.gz WBZKYPFDOYNTJE-AWEZNQCLSA-N 0 0 335.369 5.122 40 0 EKABRN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(F)c(F)c1 ZINC000022568616 212306832 /nfs/dbraw/zinc/30/68/32/212306832.db2.gz NLYJKDOAVXBNNG-UHFFFAOYSA-N 0 0 325.314 5.009 40 0 EKABRN O=C(Nc1ccccc1Oc1ccccc1)c1cc(F)ccc1F ZINC000022568620 564128205 /nfs/dbraw/zinc/12/82/05/564128205.db2.gz MLKPJTMXOGUNLJ-UHFFFAOYSA-N 0 0 325.314 5.009 40 0 EKABRN Cc1nn2c(nccc2-c2cccc3ccccc32)c1-c1ccccc1 ZINC000022607296 202087970 /nfs/dbraw/zinc/08/79/70/202087970.db2.gz ZDSKGZWKTGDACG-UHFFFAOYSA-N 0 0 335.410 5.525 40 0 EKABRN Cc1nn2c(nccc2-c2ccc3ccccc3c2)c1-c1ccccc1 ZINC000022607298 212309624 /nfs/dbraw/zinc/30/96/24/212309624.db2.gz NWLQUPBTDTTWEV-UHFFFAOYSA-N 0 0 335.410 5.525 40 0 EKABRN Cc1cc(C)c(C)c(OCC(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000022905783 212333174 /nfs/dbraw/zinc/33/31/74/212333174.db2.gz XZMMCIIXJLULCY-UHFFFAOYSA-N 0 0 325.452 5.061 40 0 EKABRN Cc1occc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000023010614 212341366 /nfs/dbraw/zinc/34/13/66/212341366.db2.gz VCQPWBUZKDYPTH-UHFFFAOYSA-N 0 0 327.767 5.286 40 0 EKABRN Cc1nc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cs1 ZINC000023135735 212353939 /nfs/dbraw/zinc/35/39/39/212353939.db2.gz INNWGFCSCMXDJP-UHFFFAOYSA-N 0 0 328.824 5.024 40 0 EKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)C1(c2ccccc2)CC1 ZINC000023239277 202100307 /nfs/dbraw/zinc/10/03/07/202100307.db2.gz ANFIGCWNELSFSN-UHFFFAOYSA-N 0 0 329.399 5.149 40 0 EKABRN O=C(CSCc1ccccc1F)Nc1cc(Cl)ccc1Cl ZINC000023410865 212375541 /nfs/dbraw/zinc/37/55/41/212375541.db2.gz HAHIDLOLKCEPTI-UHFFFAOYSA-N 0 0 344.238 5.004 40 0 EKABRN CC(C)c1ccccc1NC(=O)CSCc1cccc(Cl)c1 ZINC000023411022 564036198 /nfs/dbraw/zinc/03/61/98/564036198.db2.gz MMAUZQNZYCRRRE-UHFFFAOYSA-N 0 0 333.884 5.335 40 0 EKABRN Cc1cccc(NC(=O)CSCc2cccc3ccccc32)c1C ZINC000023411276 564128194 /nfs/dbraw/zinc/12/81/94/564128194.db2.gz UMVQORFZSISRAA-UHFFFAOYSA-N 0 0 335.472 5.329 40 0 EKABRN O=C(CSCc1cccc2ccccc21)Nc1ccccc1Cl ZINC000023411288 212375808 /nfs/dbraw/zinc/37/58/08/212375808.db2.gz BOMSNICMKVQMCH-UHFFFAOYSA-N 0 0 341.863 5.365 40 0 EKABRN Cc1ccc(C)c(NC(=O)CSCc2cccc3ccccc32)c1 ZINC000023411308 564128203 /nfs/dbraw/zinc/12/82/03/564128203.db2.gz FQWHEIZYLSQGNZ-UHFFFAOYSA-N 0 0 335.472 5.329 40 0 EKABRN Cc1ccc(NC(=O)CSCc2cccc3ccccc32)c(C)c1 ZINC000023411314 564128218 /nfs/dbraw/zinc/12/82/18/564128218.db2.gz CTRREMFNWMEJJC-UHFFFAOYSA-N 0 0 335.472 5.329 40 0 EKABRN CCc1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000023621782 563866839 /nfs/dbraw/zinc/86/68/39/563866839.db2.gz CQDRNWFTCUNCPM-UHFFFAOYSA-N 0 0 347.483 5.794 40 0 EKABRN CCCOc1c(Cl)cc(C(=O)Nc2c(C)cccc2C)cc1OC ZINC000023650468 212387356 /nfs/dbraw/zinc/38/73/56/212387356.db2.gz JEOKILBDQJOCRZ-UHFFFAOYSA-N 0 0 347.842 5.007 40 0 EKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1F ZINC000023742209 212392919 /nfs/dbraw/zinc/39/29/19/212392919.db2.gz GIYUFCSDKSLSSK-UHFFFAOYSA-N 0 0 344.238 5.004 40 0 EKABRN Cc1cccc(C(C)C)c1NC(=O)CSCc1ccccc1F ZINC000024064860 212407963 /nfs/dbraw/zinc/40/79/63/212407963.db2.gz AQHKUBWIBXNZCA-UHFFFAOYSA-N 0 0 331.456 5.129 40 0 EKABRN Cc1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000024812649 564128240 /nfs/dbraw/zinc/12/82/40/564128240.db2.gz PNNFSJHAIDZDLB-UHFFFAOYSA-N 0 0 333.456 5.540 40 0 EKABRN COc1cccc(NC(=O)c2ccc(CSc3ccccc3)cc2)c1 ZINC000024812941 564128250 /nfs/dbraw/zinc/12/82/50/564128250.db2.gz ZGVAYCYHIUZUOP-UHFFFAOYSA-N 0 0 349.455 5.240 40 0 EKABRN Cc1ccc(C2=N[C@@H](C3CCCCC3)N3[C@@H]2[C@@H]3c2ccccc2)cc1 ZINC000025504128 564037887 /nfs/dbraw/zinc/03/78/87/564037887.db2.gz SGSXNGZQSDWDQD-JNHLRNPSSA-N 0 0 330.475 5.130 40 0 EKABRN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@@H](C)[C@H]3CC[C@]12C ZINC000025549111 564038134 /nfs/dbraw/zinc/03/81/34/564038134.db2.gz LFDDUQXVBIIJBD-APFKEWBISA-N 0 0 344.583 6.529 40 0 EKABRN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC(=O)[C@@H](C)[C@H]3CC[C@]12C ZINC000025549121 564038118 /nfs/dbraw/zinc/03/81/18/564038118.db2.gz LFDDUQXVBIIJBD-VFCYDITLSA-N 0 0 344.583 6.529 40 0 EKABRN COc1ccc2nc(C)c(C(=O)Nc3c(C)cccc3C(C)C)cc2c1 ZINC000025766142 563888295 /nfs/dbraw/zinc/88/82/95/563888295.db2.gz UGLNGBZMUWCOES-UHFFFAOYSA-N 0 0 348.446 5.236 40 0 EKABRN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC=C2c1cccnc1 ZINC000026392964 564082114 /nfs/dbraw/zinc/08/21/14/564082114.db2.gz GZOSMCIZMLWJML-JGHDBACZSA-N 0 0 349.518 5.399 40 0 EKABRN Cc1ccc(C)c(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000026399183 563891511 /nfs/dbraw/zinc/89/15/11/563891511.db2.gz SIIKDYAEWDGLTD-UHFFFAOYSA-N 0 0 328.626 5.516 40 0 EKABRN COc1c(N)cc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Cl ZINC000026509186 212523365 /nfs/dbraw/zinc/52/33/65/212523365.db2.gz NEFRYJOJVOEKPG-UHFFFAOYSA-N 0 0 343.597 5.046 40 0 EKABRN CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)OC ZINC000026577636 202145413 /nfs/dbraw/zinc/14/54/13/202145413.db2.gz ZGQAWLCSJFHXDF-QIOBGPQXSA-N 0 0 334.500 5.276 40 0 in-vitro EKABRN O=C1C[C@@H](c2ccc(Cl)cc2)S[C@H](c2ccc(Cl)cc2)C1 ZINC000026771087 564128226 /nfs/dbraw/zinc/12/82/26/564128226.db2.gz UVJXNQLZLRWRDN-IRXDYDNUSA-N 0 0 337.271 5.872 40 0 EKABRN O=C1C[C@H](c2ccc(Cl)cc2)S[C@H](c2ccc(Cl)cc2)C1 ZINC000026771089 564128229 /nfs/dbraw/zinc/12/82/29/564128229.db2.gz UVJXNQLZLRWRDN-CALCHBBNSA-N 0 0 337.271 5.872 40 0 EKABRN O=C1C[C@H](c2ccc(Cl)cc2)S[C@@H](c2ccc(Cl)cc2)C1 ZINC000026771092 564128238 /nfs/dbraw/zinc/12/82/38/564128238.db2.gz UVJXNQLZLRWRDN-IAGOWNOFSA-N 0 0 337.271 5.872 40 0 EKABRN Cc1cc(C)c(NC(=O)c2c3ccccc3nc3c2CCCC3)c(C)c1 ZINC000026779870 202147313 /nfs/dbraw/zinc/14/73/13/202147313.db2.gz VNCJSUWTYKJMFF-UHFFFAOYSA-N 0 0 344.458 5.291 40 0 EKABRN O=C(NC1CCCCC1)c1cc(-c2ccsc2)nc2ccccc21 ZINC000026780140 564057233 /nfs/dbraw/zinc/05/72/33/564057233.db2.gz QHOOPAFUZJUUIB-UHFFFAOYSA-N 0 0 336.460 5.026 40 0 EKABRN 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328.371 5.152 40 0 EKABRN CCCc1cc(-c2ccco2)c(-c2ccco2)nc1-c1ccccn1 ZINC000026897045 563893972 /nfs/dbraw/zinc/89/39/72/563893972.db2.gz JNFPJQQZIPLARP-UHFFFAOYSA-N 0 0 330.387 5.616 40 0 EKABRN CSc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000026897232 564120324 /nfs/dbraw/zinc/12/03/24/564120324.db2.gz FXDJLXWTLQQPER-UHFFFAOYSA-N 0 0 342.467 5.928 40 0 EKABRN CSc1nn(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000026897241 563893922 /nfs/dbraw/zinc/89/39/22/563893922.db2.gz ONUQNWNEUXWCQG-UHFFFAOYSA-N 0 0 342.467 5.928 40 0 EKABRN CCOc1ccc(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1 ZINC000026897469 212539096 /nfs/dbraw/zinc/53/90/96/212539096.db2.gz IFDSHQFYIWTLMI-UHFFFAOYSA-N 0 0 336.818 5.637 40 0 EKABRN O=C(c1ccccc1)c1ccccc1-c1ccc(Cl)c(Cl)c1 ZINC000026897505 202149129 /nfs/dbraw/zinc/14/91/29/202149129.db2.gz GLUPJXIGONIMSD-UHFFFAOYSA-N 0 0 327.210 5.891 40 0 EKABRN COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccc(C)cc1)c2=O ZINC000026897582 212539295 /nfs/dbraw/zinc/53/92/95/212539295.db2.gz STZVNNYMWXHTCM-UHFFFAOYSA-N 0 0 342.394 5.444 40 0 EKABRN c1nc(-c2ccccc2)oc1Sc1cnc(-c2ccccc2)s1 ZINC000027061566 564085698 /nfs/dbraw/zinc/08/56/98/564085698.db2.gz OWSVTVONBCBHPG-UHFFFAOYSA-N 0 0 336.441 5.616 40 0 EKABRN Cc1ccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)cnn32)cc1 ZINC000027584922 212567433 /nfs/dbraw/zinc/56/74/33/212567433.db2.gz ZVFNNCOXDFFOHC-UHFFFAOYSA-N 0 0 348.837 5.410 40 0 EKABRN Cc1ccc(-c2cnn3c2nc(C)cc3Nc2cccc(C)c2)cc1 ZINC000027585845 564132288 /nfs/dbraw/zinc/13/22/88/564132288.db2.gz SFYGHRFCWKLYOE-UHFFFAOYSA-N 0 0 328.419 5.065 40 0 EKABRN CCc1ccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)cnn32)cc1 ZINC000027585869 202157327 /nfs/dbraw/zinc/15/73/27/202157327.db2.gz DQWXWDRXPPEVEW-UHFFFAOYSA-N 0 0 342.446 5.319 40 0 EKABRN Cc1nc2c(-c3ccccc3)cnn2c(Nc2ccc(Cl)cc2)c1C ZINC000027586105 564132334 /nfs/dbraw/zinc/13/23/34/564132334.db2.gz ORQKPDZDVZRCBT-UHFFFAOYSA-N 0 0 348.837 5.410 40 0 EKABRN Cc1cccc(Nc2c(C)c(C)nc3c(-c4ccccc4)cnn32)c1 ZINC000027586113 202157609 /nfs/dbraw/zinc/15/76/09/202157609.db2.gz XFAZSJMLPGHMBC-UHFFFAOYSA-N 0 0 328.419 5.065 40 0 EKABRN Cc1nc2c(-c3ccccc3)cnn2c(Nc2cccc(Cl)c2)c1C ZINC000027586120 564132335 /nfs/dbraw/zinc/13/23/35/564132335.db2.gz KZOAIYHWVFGETA-UHFFFAOYSA-N 0 0 348.837 5.410 40 0 EKABRN Cc1cc(C)cc(Nc2c(C)c(C)nc3c(-c4ccccc4)cnn32)c1 ZINC000027586142 202157601 /nfs/dbraw/zinc/15/76/01/202157601.db2.gz FWWOTHQMZFNINV-UHFFFAOYSA-N 0 0 342.446 5.374 40 0 EKABRN CCc1ccc(Nc2c(C)c(C)nc3c(-c4ccccc4)cnn32)cc1 ZINC000027586188 563897372 /nfs/dbraw/zinc/89/73/72/563897372.db2.gz JEFJCRJRYVFXLG-UHFFFAOYSA-N 0 0 342.446 5.319 40 0 EKABRN Cc1nc2c(-c3ccccc3)cnn2c(N[C@H](C)c2ccccc2)c1C ZINC000027586203 563897356 /nfs/dbraw/zinc/89/73/56/563897356.db2.gz DXKLTNFXNJAEQV-QGZVFWFLSA-N 0 0 342.446 5.186 40 0 EKABRN Cc1nc2c(-c3ccccc3)cnn2c(N[C@@H](C)c2ccccc2)c1C ZINC000027586206 563897598 /nfs/dbraw/zinc/89/75/98/563897598.db2.gz DXKLTNFXNJAEQV-KRWDZBQOSA-N 0 0 342.446 5.186 40 0 EKABRN CCCCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccccc1C ZINC000027587738 212568206 /nfs/dbraw/zinc/56/82/06/212568206.db2.gz MYMFIQCNEVKTME-QGZVFWFLSA-N 0 0 349.478 5.026 40 0 EKABRN CCCCCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccccc1C ZINC000027587745 563897605 /nfs/dbraw/zinc/89/76/05/563897605.db2.gz MYMFIQCNEVKTME-KRWDZBQOSA-N 0 0 349.478 5.026 40 0 EKABRN CCCCn1c(C)c(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000027639218 564133588 /nfs/dbraw/zinc/13/35/88/564133588.db2.gz QKXRHYJSCZFHEK-UHFFFAOYSA-N 0 0 341.454 6.134 40 0 in-vitro EKABRN CCCCCCN1Cc2cn(-c3ccccc3)nc2-c2ccccc21 ZINC000027750697 564066902 /nfs/dbraw/zinc/06/69/02/564066902.db2.gz ZZCXKTPODLPHIO-UHFFFAOYSA-N 0 0 331.463 5.440 40 0 EKABRN Cc1ccc(N(C(=O)Nc2cccc(Cl)c2)C2=NCCC2)cc1C ZINC000027752081 564134393 /nfs/dbraw/zinc/13/43/93/564134393.db2.gz PLQJTYINVGRHDP-UHFFFAOYSA-N 0 0 341.842 5.188 40 0 EKABRN Cc1cc(C)cc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCC2)c1 ZINC000027752174 564134389 /nfs/dbraw/zinc/13/43/89/564134389.db2.gz AMLGZGILPVCNRC-UHFFFAOYSA-N 0 0 341.842 5.188 40 0 EKABRN O=C(Nc1cccc(Cl)c1)c1c(-c2ccccc2)cn2ccccc12 ZINC000027752590 564134394 /nfs/dbraw/zinc/13/43/94/564134394.db2.gz MJTDDWWELVLAQG-UHFFFAOYSA-N 0 0 346.817 5.512 40 0 EKABRN S=C(Nc1ccccc1)c1c(-c2ccccc2)cn2ccccc12 ZINC000027752597 564134372 /nfs/dbraw/zinc/13/43/72/564134372.db2.gz DPLACOLXBHNTQO-UHFFFAOYSA-N 0 0 328.440 5.394 40 0 EKABRN Cc1nc(-c2ccc(Cl)cc2)c(NC(=O)c2cccs2)s1 ZINC000027755076 564134383 /nfs/dbraw/zinc/13/43/83/564134383.db2.gz DPUAASHZYPHIHB-UHFFFAOYSA-N 0 0 334.853 5.086 40 0 EKABRN Cc1c(-c2ccccc2)s/c(=N\c2ccccc2)n1-c1ccccc1 ZINC000027830473 564079159 /nfs/dbraw/zinc/07/91/59/564079159.db2.gz ZZNCVESWXNAUQV-FCQUAONHSA-N 0 0 342.467 5.747 40 0 EKABRN CC(C)CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc21 ZINC000027985935 564085772 /nfs/dbraw/zinc/08/57/72/564085772.db2.gz CMQFSETYHPEJAO-UHFFFAOYSA-N 0 0 344.418 5.020 40 0 EKABRN CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](C)CO ZINC000028001432 564150017 /nfs/dbraw/zinc/15/00/17/564150017.db2.gz ADRRUPVKLINJKD-YNLHEVEDSA-N 0 0 337.548 5.297 40 0 in-vitro EKABRN CC[C@H](C)NC(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1 ZINC000028125165 202165967 /nfs/dbraw/zinc/16/59/67/202165967.db2.gz XXSIYNJKCPZOFQ-ZDUSSCGKSA-N 0 0 338.838 5.084 40 0 EKABRN O=C(Nc1ccccc1Sc1ccccc1)c1ccc(F)c(F)c1 ZINC000028210446 564043737 /nfs/dbraw/zinc/04/37/37/564043737.db2.gz NEFUQIFJBPKTHN-UHFFFAOYSA-N 0 0 341.382 5.368 40 0 EKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(F)cc(F)c1 ZINC000028210517 564128269 /nfs/dbraw/zinc/12/82/69/564128269.db2.gz IQQVSULJVDGRLD-UHFFFAOYSA-N 0 0 325.314 5.009 40 0 EKABRN O=C(Nc1ccccc1Sc1ccccc1)c1cc(F)cc(F)c1 ZINC000028210543 564128257 /nfs/dbraw/zinc/12/82/57/564128257.db2.gz YHHYRXDVTCAKSQ-UHFFFAOYSA-N 0 0 341.382 5.368 40 0 EKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)c(F)c1F ZINC000028210611 262502336 /nfs/dbraw/zinc/50/23/36/262502336.db2.gz UJDIBNHFNAWJHX-UHFFFAOYSA-N 0 0 343.304 5.149 40 0 EKABRN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(F)c(F)c1F ZINC000028210650 564043759 /nfs/dbraw/zinc/04/37/59/564043759.db2.gz MYUWUTJKVSVGLK-UHFFFAOYSA-N 0 0 343.304 5.149 40 0 EKABRN O=C(Nc1ccccc1Sc1ccccc1)c1cc(F)ccc1F ZINC000028210786 564043776 /nfs/dbraw/zinc/04/37/76/564043776.db2.gz DQTYXZLHQSFQND-UHFFFAOYSA-N 0 0 341.382 5.368 40 0 EKABRN O=C(Nc1ccc2ccccc2c1)/C(=C/c1ccccc1)c1ccccc1 ZINC000028219562 564128278 /nfs/dbraw/zinc/12/82/78/564128278.db2.gz QSTOALQONOKIOP-JJIBRWJFSA-N 0 0 349.433 6.019 40 0 EKABRN O=C(CCc1ccc(Cl)cc1Cl)Nc1ccccc1Cl ZINC000028266697 563901854 /nfs/dbraw/zinc/90/18/54/563901854.db2.gz HZEBGSWWVUWTPQ-UHFFFAOYSA-N 0 0 328.626 5.218 40 0 EKABRN CCCCCn1cc(C(=O)Cc2cccc(OC)c2)c2ccccc21 ZINC000028456868 563903097 /nfs/dbraw/zinc/90/30/97/563903097.db2.gz XZVYWLVYUAQEIM-UHFFFAOYSA-N 0 0 335.447 5.266 40 0 in-vivo EKABRN CCCCCn1cc(C(=O)Cc2ccccc2Cl)c2ccccc21 ZINC000028457100 563903129 /nfs/dbraw/zinc/90/31/29/563903129.db2.gz YDINKDBAZJOSLV-UHFFFAOYSA-N 0 0 339.866 5.910 40 0 in-vivo EKABRN CCCCCn1cc(C(=O)Cc2ccc(OC)cc2)c2ccccc21 ZINC000028459373 202171265 /nfs/dbraw/zinc/17/12/65/202171265.db2.gz KQRKUKYSZPHOKC-UHFFFAOYSA-N 0 0 335.447 5.266 40 0 in-vivo EKABRN CCCCCn1cc(C(=O)Cc2ccc(Cl)cc2)c2ccccc21 ZINC000028461030 564151079 /nfs/dbraw/zinc/15/10/79/564151079.db2.gz GPMUZXUMSOFDBA-UHFFFAOYSA-N 0 0 339.866 5.910 40 0 in-vivo EKABRN CCCCCn1cc(C(=O)Cc2cccc(Cl)c2)c2ccccc21 ZINC000028463001 564151084 /nfs/dbraw/zinc/15/10/84/564151084.db2.gz KURUPMPUIIQATM-UHFFFAOYSA-N 0 0 339.866 5.910 40 0 in-vivo EKABRN CC[C@@H](C)c1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 ZINC000028539695 564079195 /nfs/dbraw/zinc/07/91/95/564079195.db2.gz ZKZJTGKRMFGULF-CYBMUJFWSA-N 0 0 333.435 5.012 40 0 EKABRN CC[C@H](C)c1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 ZINC000028539700 212623926 /nfs/dbraw/zinc/62/39/26/212623926.db2.gz ZKZJTGKRMFGULF-ZDUSSCGKSA-N 0 0 333.435 5.012 40 0 EKABRN Cc1c(-c2ccc(C)c(C)c2)nc2sc(C3CCCCC3)nn12 ZINC000028540110 564079219 /nfs/dbraw/zinc/07/92/19/564079219.db2.gz KNFHFJDZZQPRQW-UHFFFAOYSA-N 0 0 325.481 5.431 40 0 EKABRN CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)OC ZINC000028631275 212627867 /nfs/dbraw/zinc/62/78/67/212627867.db2.gz RWLSHOXCJVZJMD-KPMWKZHNSA-N 0 0 334.500 5.276 40 0 in-vitro EKABRN CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](O)CCCC(=O)OC ZINC000028631278 564152038 /nfs/dbraw/zinc/15/20/38/564152038.db2.gz RWLSHOXCJVZJMD-YJSMBUJGSA-N 0 0 334.500 5.276 40 0 in-vitro EKABRN CCCCc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1 ZINC000029083827 563904861 /nfs/dbraw/zinc/90/48/61/563904861.db2.gz DPGSKLLYOIFPJC-UHFFFAOYSA-N 0 0 348.446 5.256 40 0 EKABRN CCSc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000030546463 563909947 /nfs/dbraw/zinc/90/99/47/563909947.db2.gz IDVPANWQUZPVKZ-UHFFFAOYSA-N 0 0 340.492 5.041 40 0 EKABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=C5C=CC=C5)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000030728808 202198087 /nfs/dbraw/zinc/19/80/87/202198087.db2.gz OYOVFIJVSKWVLT-LQDRYOBXSA-N 0 0 338.535 5.813 40 0 in-vitro EKABRN Clc1ccc(/C(=C/Br)c2ccccc2Cl)cc1 ZINC000030728866 202198542 /nfs/dbraw/zinc/19/85/42/202198542.db2.gz QCCRPLPTELVLHD-LCYFTJDESA-N 0 0 328.036 5.778 40 0 in-vitro EKABRN CC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000030751349 212708580 /nfs/dbraw/zinc/70/85/80/212708580.db2.gz VUZLPPSNHJNYQL-QXLXQBSBSA-N 0 0 334.246 5.274 40 0 EKABRN CC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000030751353 563910403 /nfs/dbraw/zinc/91/04/03/563910403.db2.gz VUZLPPSNHJNYQL-KAMXEHQASA-N 0 0 334.246 5.274 40 0 EKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc2ccccc21 ZINC000030751573 563910367 /nfs/dbraw/zinc/91/03/67/563910367.db2.gz WUMJQFSDAHIQNI-LJQANCHMSA-N 0 0 339.822 5.289 40 0 EKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc2ccccc21 ZINC000030751577 563910366 /nfs/dbraw/zinc/91/03/66/563910366.db2.gz WUMJQFSDAHIQNI-IBGZPJMESA-N 0 0 339.822 5.289 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)C1CCCCC1 ZINC000030751649 563910413 /nfs/dbraw/zinc/91/04/13/563910413.db2.gz IWDZMRXNYVPXJR-MRXNPFEDSA-N 0 0 325.905 5.002 40 0 EKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)C1CCCCC1 ZINC000030751654 563910377 /nfs/dbraw/zinc/91/03/77/563910377.db2.gz IWDZMRXNYVPXJR-INIZCTEOSA-N 0 0 325.905 5.002 40 0 EKABRN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1c(C)cccc1C(C)C ZINC000030751713 563910393 /nfs/dbraw/zinc/91/03/93/563910393.db2.gz CZKKKBSXNQWGJX-LJQANCHMSA-N 0 0 325.452 5.223 40 0 EKABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1c(C)cccc1C(C)C ZINC000030751717 202197970 /nfs/dbraw/zinc/19/79/70/202197970.db2.gz CZKKKBSXNQWGJX-IBGZPJMESA-N 0 0 325.452 5.223 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](CC)c1ccccc1 ZINC000030752330 202198721 /nfs/dbraw/zinc/19/87/21/202198721.db2.gz WACWOYZAQPFHFK-ZWKOTPCHSA-N 0 0 347.911 5.478 40 0 EKABRN CC[C@H](NC(=O)[C@H](CC)Sc1ccc(Cl)cc1)c1ccccc1 ZINC000030752333 563910524 /nfs/dbraw/zinc/91/05/24/563910524.db2.gz WACWOYZAQPFHFK-ROUUACIJSA-N 0 0 347.911 5.478 40 0 EKABRN CC[C@@H](NC(=O)[C@@H](CC)Sc1ccc(Cl)cc1)c1ccccc1 ZINC000030752337 563910507 /nfs/dbraw/zinc/91/05/07/563910507.db2.gz WACWOYZAQPFHFK-QZTJIDSGSA-N 0 0 347.911 5.478 40 0 EKABRN CC[C@@H](NC(=O)[C@H](CC)Sc1ccc(Cl)cc1)c1ccccc1 ZINC000030752341 202198406 /nfs/dbraw/zinc/19/84/06/202198406.db2.gz WACWOYZAQPFHFK-MSOLQXFVSA-N 0 0 347.911 5.478 40 0 EKABRN CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 ZINC000030752795 563910503 /nfs/dbraw/zinc/91/05/03/563910503.db2.gz PNMNDBUFWPGPPK-MRXNPFEDSA-N 0 0 341.451 5.003 40 0 EKABRN CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 ZINC000030752799 563910528 /nfs/dbraw/zinc/91/05/28/563910528.db2.gz PNMNDBUFWPGPPK-INIZCTEOSA-N 0 0 341.451 5.003 40 0 EKABRN CCCCc1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)cc1 ZINC000030753949 563910531 /nfs/dbraw/zinc/91/05/31/563910531.db2.gz ZUWUNPUYLBCMNM-OAQYLSRUSA-N 0 0 339.479 5.442 40 0 EKABRN CCCCc1ccc(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)cc1 ZINC000030753952 563910533 /nfs/dbraw/zinc/91/05/33/563910533.db2.gz ZUWUNPUYLBCMNM-NRFANRHFSA-N 0 0 339.479 5.442 40 0 EKABRN Cc1ccc(/C=C/C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 ZINC000030754553 563910525 /nfs/dbraw/zinc/91/05/25/563910525.db2.gz 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/nfs/dbraw/zinc/91/05/95/563910595.db2.gz CDYVBHAVKCNIGV-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1C ZINC000030756780 563910577 /nfs/dbraw/zinc/91/05/77/563910577.db2.gz CDYVBHAVKCNIGV-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000030756883 202198233 /nfs/dbraw/zinc/19/82/33/202198233.db2.gz GFDNDVILRIKFGG-HXUWFJFHSA-N 0 0 325.452 5.223 40 0 EKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000030756887 212709466 /nfs/dbraw/zinc/70/94/66/212709466.db2.gz GFDNDVILRIKFGG-FQEVSTJZSA-N 0 0 325.452 5.223 40 0 EKABRN CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000030756976 202198156 /nfs/dbraw/zinc/19/81/56/202198156.db2.gz WAKXPDSARWKXCI-MRXNPFEDSA-N 0 0 325.452 5.087 40 0 EKABRN CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000030756979 212709628 /nfs/dbraw/zinc/70/96/28/212709628.db2.gz WAKXPDSARWKXCI-INIZCTEOSA-N 0 0 325.452 5.087 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)c2cc3c(ccc4ccccc34)o2)cc1 ZINC000030758593 212709331 /nfs/dbraw/zinc/70/93/31/212709331.db2.gz UNGCWPQEQYUMBF-OAHLLOKOSA-N 0 0 329.399 5.385 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)c2cc3c(ccc4ccccc34)o2)cc1 ZINC000030758597 563910692 /nfs/dbraw/zinc/91/06/92/563910692.db2.gz UNGCWPQEQYUMBF-HNNXBMFYSA-N 0 0 329.399 5.385 40 0 EKABRN Cc1c2cc(Cl)ccc2oc1-c1oc2ccc(Cl)cc2c1C ZINC000030781585 563910699 /nfs/dbraw/zinc/91/06/99/563910699.db2.gz KBNGHIRPXMNGES-UHFFFAOYSA-N 0 0 331.198 6.770 40 0 EKABRN Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C)c(C)c3)o2)cc1 ZINC000030806629 564049845 /nfs/dbraw/zinc/04/98/45/564049845.db2.gz USHNZIFCBDNSRA-UHFFFAOYSA-N 0 0 335.403 5.036 40 0 EKABRN Clc1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000030824058 564049836 /nfs/dbraw/zinc/04/98/36/564049836.db2.gz PYLMREKOSQHMTK-UHFFFAOYSA-N 0 0 325.582 5.364 40 0 EKABRN Clc1ccc(-c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000030824060 564049835 /nfs/dbraw/zinc/04/98/35/564049835.db2.gz YXSQCDYDIVAGQE-UHFFFAOYSA-N 0 0 325.582 5.364 40 0 EKABRN CCCCC(=O)Nc1cc(C)c(O)c(-c2nc3ccccc3s2)c1 ZINC000030827973 564079324 /nfs/dbraw/zinc/07/93/24/564079324.db2.gz APDNKSRFQKBRCZ-UHFFFAOYSA-N 0 0 340.448 5.106 40 0 EKABRN CC[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000030847882 563910892 /nfs/dbraw/zinc/91/08/92/563910892.db2.gz XTKLDZZCALOQPF-LJQANCHMSA-N 0 0 345.870 5.075 40 0 EKABRN CC[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000030847885 212710698 /nfs/dbraw/zinc/71/06/98/212710698.db2.gz XTKLDZZCALOQPF-IBGZPJMESA-N 0 0 345.870 5.075 40 0 EKABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1c(C)cccc1C(C)C ZINC000030848758 563910918 /nfs/dbraw/zinc/91/09/18/563910918.db2.gz GILFZQDILORSDY-GOSISDBHSA-N 0 0 325.452 5.223 40 0 EKABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1c(C)cccc1C(C)C ZINC000030848760 202199011 /nfs/dbraw/zinc/19/90/11/202199011.db2.gz GILFZQDILORSDY-SFHVURJKSA-N 0 0 325.452 5.223 40 0 EKABRN Cc1cccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1C ZINC000030848842 202199639 /nfs/dbraw/zinc/19/96/39/202199639.db2.gz 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/nfs/dbraw/zinc/19/94/34/202199434.db2.gz OEKAYTQUTLLGLZ-IBGZPJMESA-N 0 0 345.870 5.479 40 0 EKABRN CC[C@@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000030850876 202199679 /nfs/dbraw/zinc/19/96/79/202199679.db2.gz LYMXUXASGAZPAD-GOSISDBHSA-N 0 0 347.911 5.398 40 0 EKABRN CC[C@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000030850880 202198998 /nfs/dbraw/zinc/19/89/98/202198998.db2.gz LYMXUXASGAZPAD-SFHVURJKSA-N 0 0 347.911 5.398 40 0 EKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(C)C ZINC000030851366 212712287 /nfs/dbraw/zinc/71/22/87/212712287.db2.gz LIKDAJOSHSGVQU-LJQANCHMSA-N 0 0 325.452 5.223 40 0 EKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(C)C ZINC000030851370 212712148 /nfs/dbraw/zinc/71/21/48/212712148.db2.gz LIKDAJOSHSGVQU-IBGZPJMESA-N 0 0 325.452 5.223 40 0 EKABRN CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000030851461 212712311 /nfs/dbraw/zinc/71/23/11/212712311.db2.gz YWMADULBJMNKFN-VQTJNVASSA-N 0 0 339.479 5.056 40 0 EKABRN CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000030851465 202199480 /nfs/dbraw/zinc/19/94/80/202199480.db2.gz YWMADULBJMNKFN-PMACEKPBSA-N 0 0 339.479 5.056 40 0 EKABRN CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000030851469 563910980 /nfs/dbraw/zinc/91/09/80/563910980.db2.gz YWMADULBJMNKFN-WOJBJXKFSA-N 0 0 339.479 5.056 40 0 EKABRN CC[C@H](Oc1ccccc1C)C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000030851472 563910982 /nfs/dbraw/zinc/91/09/82/563910982.db2.gz YWMADULBJMNKFN-UXHICEINSA-N 0 0 339.479 5.056 40 0 EKABRN CCOc1cccc(NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)c1 ZINC000030851910 563910977 /nfs/dbraw/zinc/91/09/77/563910977.db2.gz SPJZWVRNYABYOD-QGZVFWFLSA-N 0 0 349.883 5.248 40 0 EKABRN CCOc1cccc(NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)c1 ZINC000030851915 563910973 /nfs/dbraw/zinc/91/09/73/563910973.db2.gz SPJZWVRNYABYOD-KRWDZBQOSA-N 0 0 349.883 5.248 40 0 EKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C)cc(C)c1 ZINC000030853148 563910994 /nfs/dbraw/zinc/91/09/94/563910994.db2.gz HOOJVZQZELFWDZ-OAQYLSRUSA-N 0 0 333.431 5.253 40 0 EKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C)cc(C)c1 ZINC000030853152 563910970 /nfs/dbraw/zinc/91/09/70/563910970.db2.gz HOOJVZQZELFWDZ-NRFANRHFSA-N 0 0 333.431 5.253 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)CCSc2ccc(Cl)cc2)c(C)c1 ZINC000030854240 563911079 /nfs/dbraw/zinc/91/10/79/563911079.db2.gz DVJRZMLNRDEDKU-OAHLLOKOSA-N 0 0 347.911 5.316 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)CCSc2ccc(Cl)cc2)c(C)c1 ZINC000030854243 563911121 /nfs/dbraw/zinc/91/11/21/563911121.db2.gz DVJRZMLNRDEDKU-HNNXBMFYSA-N 0 0 347.911 5.316 40 0 EKABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000030854327 563911106 /nfs/dbraw/zinc/91/11/06/563911106.db2.gz LNZBHJLQQARQHM-QGZVFWFLSA-N 0 0 345.442 5.243 40 0 EKABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000030854331 202199675 /nfs/dbraw/zinc/19/96/75/202199675.db2.gz LNZBHJLQQARQHM-KRWDZBQOSA-N 0 0 345.442 5.243 40 0 EKABRN Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 ZINC000030854722 563911086 /nfs/dbraw/zinc/91/10/86/563911086.db2.gz GANSDWBKDGEIHC-DEOSSOPVSA-N 0 0 343.470 5.142 40 0 EKABRN Cc1ccc(CCC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 ZINC000030854726 563911067 /nfs/dbraw/zinc/91/10/67/563911067.db2.gz GANSDWBKDGEIHC-XMMPIXPASA-N 0 0 343.470 5.142 40 0 EKABRN CC(C)(C)c1ccc(/C=C/C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000030855229 212713153 /nfs/dbraw/zinc/71/31/53/212713153.db2.gz HEMVNWWLKUEZLA-RDOKFVIMSA-N 0 0 333.475 5.191 40 0 EKABRN CC(C)(C)c1ccc(/C=C/C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000030855233 212712808 /nfs/dbraw/zinc/71/28/08/212712808.db2.gz HEMVNWWLKUEZLA-WMJZSHNHSA-N 0 0 333.475 5.191 40 0 EKABRN CCCCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 ZINC000030857158 202199251 /nfs/dbraw/zinc/19/92/51/202199251.db2.gz MZJGMWJBUFHPFJ-QGZVFWFLSA-N 0 0 339.479 5.559 40 0 EKABRN CCCCc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 ZINC000030857167 212713261 /nfs/dbraw/zinc/71/32/61/212713261.db2.gz MZJGMWJBUFHPFJ-KRWDZBQOSA-N 0 0 339.479 5.559 40 0 EKABRN CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1cccc(Cl)c1 ZINC000030857187 202198937 /nfs/dbraw/zinc/19/89/37/202198937.db2.gz BOWOOCXAEVBSMF-GOSISDBHSA-N 0 0 345.870 5.261 40 0 EKABRN CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1cccc(Cl)c1 ZINC000030857192 212713070 /nfs/dbraw/zinc/71/30/70/212713070.db2.gz BOWOOCXAEVBSMF-SFHVURJKSA-N 0 0 345.870 5.261 40 0 EKABRN Cc1ccc(CN(C)C(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 ZINC000030857296 202199130 /nfs/dbraw/zinc/19/91/30/202199130.db2.gz GDASCEZQYJGMSU-HAVVHWLPSA-N 0 0 341.454 5.194 40 0 EKABRN CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)c1ccc(C)cc1 ZINC000030860259 212713016 /nfs/dbraw/zinc/71/30/16/212713016.db2.gz YIEZTYHZOZCKOW-YLJYHZDGSA-N 0 0 339.479 5.153 40 0 EKABRN CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)c1ccc(C)cc1 ZINC000030860266 212712623 /nfs/dbraw/zinc/71/26/23/212712623.db2.gz YIEZTYHZOZCKOW-XLIONFOSSA-N 0 0 339.479 5.153 40 0 EKABRN CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)c1ccc(C)cc1 ZINC000030860273 212713269 /nfs/dbraw/zinc/71/32/69/212713269.db2.gz YIEZTYHZOZCKOW-FXAWDEMLSA-N 0 0 339.479 5.153 40 0 EKABRN CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)c1ccc(C)cc1 ZINC000030860281 563911198 /nfs/dbraw/zinc/91/11/98/563911198.db2.gz YIEZTYHZOZCKOW-PXNSSMCTSA-N 0 0 339.479 5.153 40 0 EKABRN COc1ccc(/C=C(/C(=O)N(C)C2CCCCC2)c2ccccc2)cc1 ZINC000030862111 202200284 /nfs/dbraw/zinc/20/02/84/202200284.db2.gz XLHUTSDEGBADMS-OQKWZONESA-N 0 0 349.474 5.027 40 0 EKABRN Cc1ccccc1[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000030862658 563911234 /nfs/dbraw/zinc/91/12/34/563911234.db2.gz VHNVSCWAPVCFSG-FQEVSTJZSA-N 0 0 335.834 5.168 40 0 EKABRN Cc1ccccc1[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000030862665 563911233 /nfs/dbraw/zinc/91/12/33/563911233.db2.gz VHNVSCWAPVCFSG-HXUWFJFHSA-N 0 0 335.834 5.168 40 0 EKABRN CCCCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 ZINC000030863656 563911266 /nfs/dbraw/zinc/91/12/66/563911266.db2.gz RSVGZDVGXCDVGS-GOSISDBHSA-N 0 0 339.479 5.360 40 0 EKABRN CCCCc1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 ZINC000030863661 563911277 /nfs/dbraw/zinc/91/12/77/563911277.db2.gz RSVGZDVGXCDVGS-SFHVURJKSA-N 0 0 339.479 5.360 40 0 EKABRN CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1ccccc1Cl ZINC000030864397 563911272 /nfs/dbraw/zinc/91/12/72/563911272.db2.gz MIGXWGLXHWLSAK-MRXNPFEDSA-N 0 0 331.843 5.007 40 0 EKABRN CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1ccccc1Cl ZINC000030864401 212713831 /nfs/dbraw/zinc/71/38/31/212713831.db2.gz MIGXWGLXHWLSAK-INIZCTEOSA-N 0 0 331.843 5.007 40 0 EKABRN CC(C)C[C@@H](NC(=O)CCSCc1ccccc1)c1ccccc1 ZINC000030865140 563911376 /nfs/dbraw/zinc/91/13/76/563911376.db2.gz INOVOSUBOXBKBH-HXUWFJFHSA-N 0 0 341.520 5.214 40 0 EKABRN CC(C)C[C@H](NC(=O)CCSCc1ccccc1)c1ccccc1 ZINC000030865145 202200265 /nfs/dbraw/zinc/20/02/65/202200265.db2.gz INOVOSUBOXBKBH-FQEVSTJZSA-N 0 0 341.520 5.214 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)CSCc2ccccc2Cl)c(C)c1 ZINC000030865566 563911386 /nfs/dbraw/zinc/91/13/86/563911386.db2.gz GYZOEAUDLMNGCK-OAHLLOKOSA-N 0 0 347.911 5.067 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)CSCc2ccccc2Cl)c(C)c1 ZINC000030865570 563911379 /nfs/dbraw/zinc/91/13/79/563911379.db2.gz GYZOEAUDLMNGCK-HNNXBMFYSA-N 0 0 347.911 5.067 40 0 EKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](CC)c1ccc(C)cc1 ZINC000030866368 563911364 /nfs/dbraw/zinc/91/13/64/563911364.db2.gz JCYOVFLFKGDMEL-RBUKOAKNSA-N 0 0 345.870 5.073 40 0 EKABRN CC[C@H](NC(=O)[C@H](CC)Oc1cccc(Cl)c1)c1ccc(C)cc1 ZINC000030866372 563911385 /nfs/dbraw/zinc/91/13/85/563911385.db2.gz JCYOVFLFKGDMEL-OALUTQOASA-N 0 0 345.870 5.073 40 0 EKABRN CC[C@@H](NC(=O)[C@@H](CC)Oc1cccc(Cl)c1)c1ccc(C)cc1 ZINC000030866378 563911394 /nfs/dbraw/zinc/91/13/94/563911394.db2.gz JCYOVFLFKGDMEL-RTBURBONSA-N 0 0 345.870 5.073 40 0 EKABRN CC[C@@H](NC(=O)[C@H](CC)Oc1cccc(Cl)c1)c1ccc(C)cc1 ZINC000030866384 212714109 /nfs/dbraw/zinc/71/41/09/212714109.db2.gz JCYOVFLFKGDMEL-MOPGFXCFSA-N 0 0 345.870 5.073 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000030866424 563911390 /nfs/dbraw/zinc/91/13/90/563911390.db2.gz MPARMXCFDFEEMC-KBXCAEBGSA-N 0 0 347.911 5.397 40 0 EKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000030866430 212713706 /nfs/dbraw/zinc/71/37/06/212713706.db2.gz MPARMXCFDFEEMC-KSSFIOAISA-N 0 0 347.911 5.397 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000030866436 563911381 /nfs/dbraw/zinc/91/13/81/563911381.db2.gz MPARMXCFDFEEMC-RDTXWAMCSA-N 0 0 347.911 5.397 40 0 EKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000030866439 563911396 /nfs/dbraw/zinc/91/13/96/563911396.db2.gz MPARMXCFDFEEMC-KDOFPFPSSA-N 0 0 347.911 5.397 40 0 EKABRN CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1cccc(Cl)c1 ZINC000030867551 563911425 /nfs/dbraw/zinc/91/14/25/563911425.db2.gz KVQGZNBJABRPKY-QGZVFWFLSA-N 0 0 331.843 5.007 40 0 EKABRN CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1cccc(Cl)c1 ZINC000030867555 212714346 /nfs/dbraw/zinc/71/43/46/212714346.db2.gz KVQGZNBJABRPKY-KRWDZBQOSA-N 0 0 331.843 5.007 40 0 EKABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1c(Cl)cccc1Cl ZINC000030867781 202199892 /nfs/dbraw/zinc/19/98/92/202199892.db2.gz LAHGTRSBAUSMJH-CQSZACIVSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1c(Cl)cccc1Cl ZINC000030867787 212713565 /nfs/dbraw/zinc/71/35/65/212713565.db2.gz LAHGTRSBAUSMJH-AWEZNQCLSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1C ZINC000030868225 212713757 /nfs/dbraw/zinc/71/37/57/212713757.db2.gz XJVBZTWRAVBJHN-MRXNPFEDSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1C ZINC000030868231 212714298 /nfs/dbraw/zinc/71/42/98/212714298.db2.gz XJVBZTWRAVBJHN-INIZCTEOSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@@H](NC(=O)[C@@H](C)Oc1cccc2ccccc21)c1ccc(C)cc1 ZINC000030869612 202200915 /nfs/dbraw/zinc/20/09/15/202200915.db2.gz IYNWBPKRGBUMPM-DYESRHJHSA-N 0 0 347.458 5.183 40 0 EKABRN CC[C@H](NC(=O)[C@@H](C)Oc1cccc2ccccc21)c1ccc(C)cc1 ZINC000030869618 202199866 /nfs/dbraw/zinc/19/98/66/202199866.db2.gz IYNWBPKRGBUMPM-UTKZUKDTSA-N 0 0 347.458 5.183 40 0 EKABRN CC[C@@H](NC(=O)[C@H](C)Oc1cccc2ccccc21)c1ccc(C)cc1 ZINC000030869622 563911452 /nfs/dbraw/zinc/91/14/52/563911452.db2.gz IYNWBPKRGBUMPM-LAUBAEHRSA-N 0 0 347.458 5.183 40 0 EKABRN CC[C@H](NC(=O)[C@H](C)Oc1cccc2ccccc21)c1ccc(C)cc1 ZINC000030869626 202200672 /nfs/dbraw/zinc/20/06/72/202200672.db2.gz IYNWBPKRGBUMPM-UWJYYQICSA-N 0 0 347.458 5.183 40 0 EKABRN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000030870662 563911450 /nfs/dbraw/zinc/91/14/50/563911450.db2.gz XGHLODSJIXMGKI-KRWDZBQOSA-N 0 0 339.479 5.648 40 0 EKABRN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000030870668 563911432 /nfs/dbraw/zinc/91/14/32/563911432.db2.gz XGHLODSJIXMGKI-QGZVFWFLSA-N 0 0 339.479 5.648 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC(C(C)C)C(C)C ZINC000030871155 202200571 /nfs/dbraw/zinc/20/05/71/202200571.db2.gz GIRSUEDISBUOAE-OAHLLOKOSA-N 0 0 327.921 5.008 40 0 EKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NC(C(C)C)C(C)C ZINC000030871161 563911454 /nfs/dbraw/zinc/91/14/54/563911454.db2.gz GIRSUEDISBUOAE-HNNXBMFYSA-N 0 0 327.921 5.008 40 0 EKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(C)C ZINC000030871815 563911545 /nfs/dbraw/zinc/91/15/45/563911545.db2.gz YYJLQIXXQNVHEA-JOCHJYFZSA-N 0 0 347.458 5.759 40 0 EKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(C)C ZINC000030871822 563911591 /nfs/dbraw/zinc/91/15/91/563911591.db2.gz YYJLQIXXQNVHEA-QFIPXVFZSA-N 0 0 347.458 5.759 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F ZINC000030872435 563911574 /nfs/dbraw/zinc/91/15/74/563911574.db2.gz VXCZBRFCVFRCON-OAHLLOKOSA-N 0 0 341.810 5.128 40 0 EKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F ZINC000030872441 563911558 /nfs/dbraw/zinc/91/15/58/563911558.db2.gz VXCZBRFCVFRCON-HNNXBMFYSA-N 0 0 341.810 5.128 40 0 EKABRN Cc1ccc([C@@H](NC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000030874058 202200882 /nfs/dbraw/zinc/20/08/82/202200882.db2.gz SDRZMCHQVBZCHE-FQEVSTJZSA-N 0 0 335.834 5.168 40 0 EKABRN Cc1ccc([C@H](NC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000030874064 202200805 /nfs/dbraw/zinc/20/08/05/202200805.db2.gz SDRZMCHQVBZCHE-HXUWFJFHSA-N 0 0 335.834 5.168 40 0 EKABRN Cc1nn2c(nccc2/C=C/C=C/c2ccccc2)c1-c1ccccc1 ZINC000030874275 563911626 /nfs/dbraw/zinc/91/16/26/563911626.db2.gz UKJMHDBZVVJDKO-NVXXTVOZSA-N 0 0 337.426 5.431 40 0 EKABRN O=C(CSc1ccccc1)Nc1ccc2c(c1)oc1ccccc12 ZINC000030953388 202201475 /nfs/dbraw/zinc/20/14/75/202201475.db2.gz IDOIKMZEKCHEHD-UHFFFAOYSA-N 0 0 333.412 5.317 40 0 EKABRN Cc1c(O)cc(C(C)C)c(O)c1-c1c(C)c(O)cc(C(C)C)c1O ZINC000031159182 212725247 /nfs/dbraw/zinc/72/52/47/212725247.db2.gz QYNCIWOOLDANTG-UHFFFAOYSA-N 0 0 330.424 5.040 40 0 biogenic,in-vitro EKABRN CCCCC/C=C\CCCCCC/C=C/C=C/C(=O)NCC(C)C ZINC000031169598 564159078 /nfs/dbraw/zinc/15/90/78/564159078.db2.gz PCWWIOUZYOPZHT-VBUSEHTESA-N 0 0 333.560 6.348 40 0 endogenous,in-man EKABRN CCSc1ccccc1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000031245831 563912287 /nfs/dbraw/zinc/91/22/87/563912287.db2.gz QBHGXUWQRMIQIY-UHFFFAOYSA-N 0 0 341.476 5.372 40 0 EKABRN CCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C\C1=C(C)CCCC1(C)C ZINC000031334814 563912472 /nfs/dbraw/zinc/91/24/72/563912472.db2.gz SFRPDSKECHTFQA-NLVRZWRASA-N 0 0 342.523 6.471 40 0 EKABRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CCC(C)=O ZINC000031356661 564177449 /nfs/dbraw/zinc/17/74/49/564177449.db2.gz HUCXKZBETONXFO-YGKYSWEFSA-N 0 0 330.556 7.501 40 0 EKABRN CN(CSc1ccc(Cl)cc1)CSc1ccc(Cl)cc1 ZINC000031666752 563912870 /nfs/dbraw/zinc/91/28/70/563912870.db2.gz FDXQQURFVNGDJG-UHFFFAOYSA-N 0 0 344.332 5.725 40 0 EKABRN c1ccc(SCN(CSc2ccccc2)C2CCCCC2)cc1 ZINC000031670214 563912915 /nfs/dbraw/zinc/91/29/15/563912915.db2.gz PUSASBOTSIBYQD-UHFFFAOYSA-N 0 0 343.561 6.121 40 0 EKABRN c1ccc([C@@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716488 564159713 /nfs/dbraw/zinc/15/97/13/564159713.db2.gz NBNWBPSBPMRDTE-BJKOFHAPSA-N 0 0 337.422 5.610 40 0 EKABRN c1ccc([C@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716491 564159735 /nfs/dbraw/zinc/15/97/35/564159735.db2.gz NBNWBPSBPMRDTE-ZEQRLZLVSA-N 0 0 337.422 5.610 40 0 EKABRN c1ccc([C@@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716494 564159719 /nfs/dbraw/zinc/15/97/19/564159719.db2.gz NBNWBPSBPMRDTE-DNQXCXABSA-N 0 0 337.422 5.610 40 0 EKABRN c1ccc([C@H]2N[C@H](c3ccccc3)Oc3ccc4ccccc4c32)cc1 ZINC000031716495 202208144 /nfs/dbraw/zinc/20/81/44/202208144.db2.gz NBNWBPSBPMRDTE-RPWUZVMVSA-N 0 0 337.422 5.610 40 0 EKABRN O=C(/C=C\c1ccccc1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000031723636 563912917 /nfs/dbraw/zinc/91/29/17/563912917.db2.gz CXHYCBMCRQKTNA-SREVYHEPSA-N 0 0 326.610 5.299 40 0 EKABRN Clc1ccc(CN2COc3c(ccc4ccccc43)C2)cc1Cl ZINC000031760116 202209449 /nfs/dbraw/zinc/20/94/49/202209449.db2.gz DKDDFDFNMNNABI-UHFFFAOYSA-N 0 0 344.241 5.499 40 0 EKABRN C(=Cc1ccccc1)c1cc(-c2cc(C=Cc3ccccc3)[nH]n2)n[nH]1 ZINC000031772015 202209556 /nfs/dbraw/zinc/20/95/56/202209556.db2.gz HHSWSLOQIXLUAS-XSYHWHKQSA-N 0 0 338.414 5.141 40 0 EKABRN C(=Cc1ccccc1)c1cc(-c2cc(C=Cc3ccccc3)[nH]n2)n[nH]1 ZINC000031772016 563913000 /nfs/dbraw/zinc/91/30/00/563913000.db2.gz HHSWSLOQIXLUAS-HEEUSZRZSA-N 0 0 338.414 5.141 40 0 EKABRN O[C@](/C=C\c1ccccc1)(c1nc2ccccc2s1)c1ccccc1 ZINC000031793984 563912990 /nfs/dbraw/zinc/91/29/90/563912990.db2.gz LXUNHGPWRBNEMY-SRNWCRMJSA-N 0 0 343.451 5.246 40 0 EKABRN Cc1cc(C)nc(/C=C\c2ccc(/C=C\c3cc(C)cc(C)n3)cc2)c1 ZINC000031816883 563913018 /nfs/dbraw/zinc/91/30/18/563913018.db2.gz NHFWLPKGJSKYHA-HWAYABPNSA-N 0 0 340.470 6.051 40 0 EKABRN COC1=CC2=CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000031861087 564024261 /nfs/dbraw/zinc/02/42/61/564024261.db2.gz NKWZNFOLDIHRJW-GFJXEVPCSA-N 0 0 328.496 5.295 40 0 EKABRN CCN(CC)[C@@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000031923820 563913250 /nfs/dbraw/zinc/91/32/50/563913250.db2.gz QJWXXLPUXDJRCB-QGZVFWFLSA-N 0 0 336.262 5.259 40 0 EKABRN CCN(CC)[C@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000031923822 563913203 /nfs/dbraw/zinc/91/32/03/563913203.db2.gz QJWXXLPUXDJRCB-KRWDZBQOSA-N 0 0 336.262 5.259 40 0 EKABRN CC[C@@H](N[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 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/nfs/dbraw/zinc/64/64/28/563646428.db2.gz WBUFOJCCFDXAPY-UHFFFAOYSA-N 0 0 340.648 5.032 40 0 EKABRN Cc1cc(Cl)ccc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000036806557 213120516 /nfs/dbraw/zinc/12/05/16/213120516.db2.gz OSDCBBTXXYVIKD-UHFFFAOYSA-N 0 0 347.201 5.209 40 0 EKABRN Cc1sc(-c2cccc(N)c2)nc1-c1ccc(Br)cc1 ZINC000036912328 564028138 /nfs/dbraw/zinc/02/81/38/564028138.db2.gz NHOZSHDWECRORW-UHFFFAOYSA-N 0 0 345.265 5.130 40 0 EKABRN CCCOc1ccc(Br)cc1CNc1cccc(C)c1 ZINC000037185302 563700241 /nfs/dbraw/zinc/70/02/41/563700241.db2.gz SNEFKKDFRXILNQ-UHFFFAOYSA-N 0 0 334.257 5.158 40 0 EKABRN COc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Cl)c1OC ZINC000037200372 563702197 /nfs/dbraw/zinc/70/21/97/563702197.db2.gz DOVHRGUKLUIMIX-UHFFFAOYSA-N 0 0 346.641 5.276 40 0 EKABRN CCCOc1ccc(Br)cc1CNc1ccc(C)c(C)c1 ZINC000037202242 257854949 /nfs/dbraw/zinc/85/49/49/257854949.db2.gz RDPIRQKXORYRLK-UHFFFAOYSA-N 0 0 348.284 5.467 40 0 EKABRN CCCOc1ccc(Br)cc1CNc1ccc(CC)cc1 ZINC000037212917 563707431 /nfs/dbraw/zinc/70/74/31/563707431.db2.gz RCGPBAWMMUMVRB-UHFFFAOYSA-N 0 0 348.284 5.412 40 0 EKABRN CCCOc1ccc(Br)cc1CNc1ccccc1CC ZINC000037213325 563707809 /nfs/dbraw/zinc/70/78/09/563707809.db2.gz OCOMLTGTRYKZNP-UHFFFAOYSA-N 0 0 348.284 5.412 40 0 EKABRN CCCOc1ccc(Br)cc1CNc1cccc(C)c1C ZINC000037215587 257854864 /nfs/dbraw/zinc/85/48/64/257854864.db2.gz BZWWCOGXYPDTIL-UHFFFAOYSA-N 0 0 348.284 5.467 40 0 EKABRN CCCOc1ccc(Br)cc1CNc1ccc(C)cc1 ZINC000037215770 563710535 /nfs/dbraw/zinc/71/05/35/563710535.db2.gz ZOBULFVKMFZOAP-UHFFFAOYSA-N 0 0 334.257 5.158 40 0 EKABRN CCCOc1ccc(Br)cc1CNc1cc(C)ccc1C ZINC000037215957 257855011 /nfs/dbraw/zinc/85/50/11/257855011.db2.gz IPYOMBWZEIPGPF-UHFFFAOYSA-N 0 0 348.284 5.467 40 0 EKABRN CCCOc1ccc(Br)cc1CNc1ccccc1C ZINC000037216319 257854542 /nfs/dbraw/zinc/85/45/42/257854542.db2.gz LWCZVSPKVQVDFQ-UHFFFAOYSA-N 0 0 334.257 5.158 40 0 EKABRN CCCOc1ccc(Br)cc1CNc1ccc(C)cc1C ZINC000037509608 563855228 /nfs/dbraw/zinc/85/52/28/563855228.db2.gz WQQOUTCKPQHSBD-UHFFFAOYSA-N 0 0 348.284 5.467 40 0 EKABRN COc1ccc2nc(C)cc(Sc3nc4ccccc4s3)c2c1 ZINC000037868605 202372932 /nfs/dbraw/zinc/37/29/32/202372932.db2.gz PGWZWDHGBCTCBR-UHFFFAOYSA-N 0 0 338.457 5.313 40 0 EKABRN Clc1ccccc1NN(Cc1ccncc1)c1ccccc1Cl ZINC000037868680 213171847 /nfs/dbraw/zinc/17/18/47/213171847.db2.gz OEWOKUHPJQNSCI-UHFFFAOYSA-N 0 0 344.245 5.422 40 0 in-vitro EKABRN Clc1ccccc1NN(Cc1ccccn1)c1ccccc1Cl ZINC000037868681 213171731 /nfs/dbraw/zinc/17/17/31/213171731.db2.gz CZQPBYNQKJYXJR-UHFFFAOYSA-N 0 0 344.245 5.422 40 0 in-vitro EKABRN CC(C)(C)CC(C)(C)NC(=O)c1cc(Br)ccc1Cl ZINC000037979726 213181587 /nfs/dbraw/zinc/18/15/87/213181587.db2.gz VUBNJMFIEIZTGM-UHFFFAOYSA-N 0 0 346.696 5.047 40 0 EKABRN C(=C1\C=Cc2ccccc21)\c1cccc(/C=C2/C=Cc3ccccc32)c1 ZINC000038142969 213202861 /nfs/dbraw/zinc/20/28/61/213202861.db2.gz AXOITUPNKUIHGW-QFFDILLMSA-N 0 0 330.430 6.821 40 0 EKABRN CCCCC/C(=C\c1ccccc1)[C@@H]1OCC(C)(C)[C@H](C(C)C)O1 ZINC000038194688 213205029 /nfs/dbraw/zinc/20/50/29/213205029.db2.gz PPSVGIOXFWDWGG-XODYZLNCSA-N 0 0 330.512 6.074 40 0 EKABRN CCCCC/C(=C\c1ccccc1)[C@H]1OCC(C)(C)[C@H](C(C)C)O1 ZINC000038194689 202399694 /nfs/dbraw/zinc/39/96/94/202399694.db2.gz PPSVGIOXFWDWGG-HAEKXNGDSA-N 0 0 330.512 6.074 40 0 EKABRN CCCCC/C=C/C/C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(=O)OC ZINC000038203885 563921749 /nfs/dbraw/zinc/92/17/49/563921749.db2.gz WTKAVFHPLJFCMZ-HCAUGEAPSA-N 0 0 332.484 5.292 40 0 EKABRN Cc1ccc2[nH]c(-c3cccc(-c4nc5cc(C)ccc5[nH]4)c3)nc2c1 ZINC000038243882 213206347 /nfs/dbraw/zinc/20/63/47/213206347.db2.gz MTIFWVGUKAUNJM-UHFFFAOYSA-N 0 0 338.414 5.390 40 0 EKABRN CC(C)(C)OC(=O)Nc1cc2ccccc2c(OCc2ccccc2)c1 ZINC000038260642 213206658 /nfs/dbraw/zinc/20/66/58/213206658.db2.gz CGLAYSJSTWPCLU-UHFFFAOYSA-N 0 0 349.430 5.766 40 0 EKABRN CC/C=C/C/C=C/C/C=C/CCCCCCCCCCCC(=O)OC ZINC000038267773 213206579 /nfs/dbraw/zinc/20/65/79/213206579.db2.gz RXNIYBHTXVTSAK-JSIPCRQOSA-N 0 0 348.571 7.309 40 0 EKABRN O=C1CS[C@H](c2cccc3ccccc32)N1c1ccc(Cl)cc1 ZINC000038330180 564024517 /nfs/dbraw/zinc/02/45/17/564024517.db2.gz JPIQDNHHNWOCHJ-LJQANCHMSA-N 0 0 339.847 5.272 40 0 EKABRN O=C1CS[C@@H](c2cccc3ccccc32)N1c1ccc(Cl)cc1 ZINC000038330181 564024490 /nfs/dbraw/zinc/02/44/90/564024490.db2.gz JPIQDNHHNWOCHJ-IBGZPJMESA-N 0 0 339.847 5.272 40 0 EKABRN Clc1ccc(OCc2ccccc2)c(-c2ccnc(Cl)n2)c1 ZINC000038580159 213215943 /nfs/dbraw/zinc/21/59/43/213215943.db2.gz VWFGATHOJRHVRG-UHFFFAOYSA-N 0 0 331.202 5.029 40 0 EKABRN CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000038752171 563921949 /nfs/dbraw/zinc/92/19/49/563921949.db2.gz YZSQNCPCIHWCHS-SFTDATJTSA-N 0 0 339.479 5.056 40 0 EKABRN CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000038752175 213223752 /nfs/dbraw/zinc/22/37/52/213223752.db2.gz YZSQNCPCIHWCHS-LEWJYISDSA-N 0 0 339.479 5.056 40 0 EKABRN CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000038752180 213223745 /nfs/dbraw/zinc/22/37/45/213223745.db2.gz YZSQNCPCIHWCHS-RTWAWAEBSA-N 0 0 339.479 5.056 40 0 EKABRN CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000038752186 213223159 /nfs/dbraw/zinc/22/31/59/213223159.db2.gz YZSQNCPCIHWCHS-NHCUHLMSSA-N 0 0 339.479 5.056 40 0 EKABRN Cc1ccc(C)c(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 ZINC000038752541 563921969 /nfs/dbraw/zinc/92/19/69/563921969.db2.gz HHYJWAACDRMYSC-UHFFFAOYSA-N 0 0 341.760 5.157 40 0 EKABRN CCSc1ccccc1NC(=O)c1cc2ccccc2cc1OC ZINC000038753601 213222968 /nfs/dbraw/zinc/22/29/68/213222968.db2.gz HBQJLDPWASLRTM-UHFFFAOYSA-N 0 0 337.444 5.213 40 0 EKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(C)c1C ZINC000038753798 213222881 /nfs/dbraw/zinc/22/28/81/213222881.db2.gz MTIBDTYIIUSPAY-NRFANRHFSA-N 0 0 333.431 5.253 40 0 EKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(C)c1C ZINC000038753800 213223786 /nfs/dbraw/zinc/22/37/86/213223786.db2.gz MTIBDTYIIUSPAY-OAQYLSRUSA-N 0 0 333.431 5.253 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)CSCc2cc(C)cc(C)c2)c(C)c1 ZINC000038753964 213223457 /nfs/dbraw/zinc/22/34/57/213223457.db2.gz VVPIHPCJQFCJOC-GOSISDBHSA-N 0 0 341.520 5.031 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)CSCc2cc(C)cc(C)c2)c(C)c1 ZINC000038753966 213223559 /nfs/dbraw/zinc/22/35/59/213223559.db2.gz VVPIHPCJQFCJOC-SFHVURJKSA-N 0 0 341.520 5.031 40 0 EKABRN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000038754269 213223304 /nfs/dbraw/zinc/22/33/04/213223304.db2.gz YQURVMUXQUJRGL-CQSZACIVSA-N 0 0 331.843 5.178 40 0 EKABRN Cc1cc(Cl)ccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000038754270 563921994 /nfs/dbraw/zinc/92/19/94/563921994.db2.gz YQURVMUXQUJRGL-AWEZNQCLSA-N 0 0 331.843 5.178 40 0 EKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C)c(C)c1 ZINC000038754684 213224390 /nfs/dbraw/zinc/22/43/90/213224390.db2.gz OEFIHUCPCYREPV-KRWDZBQOSA-N 0 0 333.884 5.466 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C)c(C)c1 ZINC000038754686 213224179 /nfs/dbraw/zinc/22/41/79/213224179.db2.gz OEFIHUCPCYREPV-QGZVFWFLSA-N 0 0 333.884 5.466 40 0 EKABRN Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 ZINC000038755036 563921999 /nfs/dbraw/zinc/92/19/99/563921999.db2.gz APNJUQIERXLUDJ-QZTJIDSGSA-N 0 0 339.479 5.072 40 0 EKABRN Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 ZINC000038755037 563921974 /nfs/dbraw/zinc/92/19/74/563921974.db2.gz APNJUQIERXLUDJ-ZWKOTPCHSA-N 0 0 339.479 5.072 40 0 EKABRN Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 ZINC000038755039 213224504 /nfs/dbraw/zinc/22/45/04/213224504.db2.gz APNJUQIERXLUDJ-MSOLQXFVSA-N 0 0 339.479 5.072 40 0 EKABRN Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 ZINC000038755040 213224160 /nfs/dbraw/zinc/22/41/60/213224160.db2.gz APNJUQIERXLUDJ-ROUUACIJSA-N 0 0 339.479 5.072 40 0 EKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Cl)cc1C ZINC000038755063 213224207 /nfs/dbraw/zinc/22/42/07/213224207.db2.gz VQQWGDAGTXUDPA-KRWDZBQOSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Cl)cc1C ZINC000038755065 213223971 /nfs/dbraw/zinc/22/39/71/213223971.db2.gz VQQWGDAGTXUDPA-QGZVFWFLSA-N 0 0 331.843 5.061 40 0 EKABRN Cc1ccc(CC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000038755288 563922013 /nfs/dbraw/zinc/92/20/13/563922013.db2.gz IKQMPIUDZMTING-UHFFFAOYSA-N 0 0 347.483 5.469 40 0 EKABRN CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1cc(C)ccc1C ZINC000038755432 213224607 /nfs/dbraw/zinc/22/46/07/213224607.db2.gz GZTZGRKHCVNIIO-LJQANCHMSA-N 0 0 339.479 5.224 40 0 EKABRN CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1cc(C)ccc1C ZINC000038755434 213224632 /nfs/dbraw/zinc/22/46/32/213224632.db2.gz GZTZGRKHCVNIIO-IBGZPJMESA-N 0 0 339.479 5.224 40 0 EKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCCC1=CCCCC1 ZINC000038755572 213224675 /nfs/dbraw/zinc/22/46/75/213224675.db2.gz VDBHGLTVIUOBNF-FQEVSTJZSA-N 0 0 337.463 5.004 40 0 EKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCC1=CCCCC1 ZINC000038755573 563922002 /nfs/dbraw/zinc/92/20/02/563922002.db2.gz VDBHGLTVIUOBNF-HXUWFJFHSA-N 0 0 337.463 5.004 40 0 EKABRN CC[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 ZINC000038755678 563921962 /nfs/dbraw/zinc/92/19/62/563921962.db2.gz QJRGWOHLIXOSEA-HZBHDWBUSA-N 0 0 335.491 5.573 40 0 EKABRN CC[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 ZINC000038755680 213224743 /nfs/dbraw/zinc/22/47/43/213224743.db2.gz QJRGWOHLIXOSEA-RBNQXFGJSA-N 0 0 335.491 5.573 40 0 EKABRN CCOc1ccccc1NC(=O)[C@H](CC)Sc1ccc(Cl)cc1 ZINC000038757070 213224440 /nfs/dbraw/zinc/22/44/40/213224440.db2.gz IREHWEZGEWCIRX-KRWDZBQOSA-N 0 0 349.883 5.248 40 0 EKABRN CCOc1ccccc1NC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 ZINC000038757072 213224051 /nfs/dbraw/zinc/22/40/51/213224051.db2.gz IREHWEZGEWCIRX-QGZVFWFLSA-N 0 0 349.883 5.248 40 0 EKABRN CC(C)C[C@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccccc1 ZINC000038757271 202407100 /nfs/dbraw/zinc/40/71/00/202407100.db2.gz FAGCYJWODLHZBZ-APWZRJJASA-N 0 0 327.493 5.071 40 0 EKABRN CC(C)C[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccccc1 ZINC000038757273 213224091 /nfs/dbraw/zinc/22/40/91/213224091.db2.gz FAGCYJWODLHZBZ-VQIMIIECSA-N 0 0 327.493 5.071 40 0 EKABRN CC(C)C[C@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccccc1 ZINC000038757275 213224834 /nfs/dbraw/zinc/22/48/34/213224834.db2.gz FAGCYJWODLHZBZ-LPHOPBHVSA-N 0 0 327.493 5.071 40 0 EKABRN CC(C)C[C@@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccccc1 ZINC000038757277 213224511 /nfs/dbraw/zinc/22/45/11/213224511.db2.gz FAGCYJWODLHZBZ-QFBILLFUSA-N 0 0 327.493 5.071 40 0 EKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(C)cc1C ZINC000038771298 213225552 /nfs/dbraw/zinc/22/55/52/213225552.db2.gz YJBBWJANPQKAJX-FQEVSTJZSA-N 0 0 333.431 5.253 40 0 EKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(C)cc1C ZINC000038771300 563922058 /nfs/dbraw/zinc/92/20/58/563922058.db2.gz YJBBWJANPQKAJX-HXUWFJFHSA-N 0 0 333.431 5.253 40 0 EKABRN Cc1ccc(S[C@@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 ZINC000038771567 213225296 /nfs/dbraw/zinc/22/52/96/213225296.db2.gz YDOJXXXHNNDYAD-PXNSSMCTSA-N 0 0 341.520 5.379 40 0 EKABRN Cc1ccc(S[C@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 ZINC000038771569 213225593 /nfs/dbraw/zinc/22/55/93/213225593.db2.gz YDOJXXXHNNDYAD-XLIONFOSSA-N 0 0 341.520 5.379 40 0 EKABRN Cc1ccc(S[C@@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 ZINC000038771572 563922022 /nfs/dbraw/zinc/92/20/22/563922022.db2.gz YDOJXXXHNNDYAD-FXAWDEMLSA-N 0 0 341.520 5.379 40 0 EKABRN Cc1ccc(S[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 ZINC000038771575 213225417 /nfs/dbraw/zinc/22/54/17/213225417.db2.gz YDOJXXXHNNDYAD-YLJYHZDGSA-N 0 0 341.520 5.379 40 0 EKABRN Cc1cccc(O[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)c1C ZINC000038771874 213225983 /nfs/dbraw/zinc/22/59/83/213225983.db2.gz JEVRHOOXHPZXQJ-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1cccc(O[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)c1C ZINC000038771876 213225891 /nfs/dbraw/zinc/22/58/91/213225891.db2.gz JEVRHOOXHPZXQJ-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN CC(C)C[C@H](NC(=O)CCSc1ccccc1)c1ccccc1 ZINC000038772483 213225245 /nfs/dbraw/zinc/22/52/45/213225245.db2.gz NGSIHNGXXIRXRR-IBGZPJMESA-N 0 0 327.493 5.072 40 0 EKABRN CC(C)C[C@@H](NC(=O)CCSc1ccccc1)c1ccccc1 ZINC000038772486 213225411 /nfs/dbraw/zinc/22/54/11/213225411.db2.gz NGSIHNGXXIRXRR-LJQANCHMSA-N 0 0 327.493 5.072 40 0 EKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(C)ccc1OC ZINC000038773001 213225629 /nfs/dbraw/zinc/22/56/29/213225629.db2.gz TZPJKGDJPYGPDK-KRWDZBQOSA-N 0 0 349.883 5.166 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(C)ccc1OC ZINC000038773004 213225404 /nfs/dbraw/zinc/22/54/04/213225404.db2.gz TZPJKGDJPYGPDK-QGZVFWFLSA-N 0 0 349.883 5.166 40 0 EKABRN CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OCC ZINC000038843591 213228177 /nfs/dbraw/zinc/22/81/77/213228177.db2.gz RKAKAVQIMCZXPE-AAQCHOMXSA-N 0 0 344.539 6.861 40 0 in-vitro EKABRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@]4(C)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000039027837 563908611 /nfs/dbraw/zinc/90/86/11/563908611.db2.gz HCGWHJRCLCRJFR-OVMODOJMSA-N 0 0 330.512 5.194 40 0 EKABRN CCCCOc1ccc(Br)cc1-c1nc2ccccc2[nH]1 ZINC000039206021 564043308 /nfs/dbraw/zinc/04/33/08/564043308.db2.gz SKIPEXIATADEJM-UHFFFAOYSA-N 0 0 345.240 5.171 40 0 EKABRN CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1O[C@H]1CCCC(=O)OC ZINC000039333663 213234508 /nfs/dbraw/zinc/23/45/08/213234508.db2.gz WTKAVFHPLJFCMZ-SXZQJPGFSA-N 0 0 332.484 5.292 40 0 in-vitro EKABRN FC(F)(F)c1cc(Nc2nc3ccccc3o2)cc(C(F)(F)F)c1 ZINC000039333780 527680488 /nfs/dbraw/zinc/68/04/88/527680488.db2.gz OSDJYIOTKRNMJF-UHFFFAOYSA-N 0 0 346.230 5.609 40 0 EKABRN Brc1cccc(Oc2cccc(Br)c2)c1 ZINC000039473269 213238163 /nfs/dbraw/zinc/23/81/63/213238163.db2.gz ALSVFJIXSNRBLE-UHFFFAOYSA-N 0 0 328.003 5.004 40 0 EKABRN Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C(C)C)cc3)o2)cc1 ZINC000039851069 563900402 /nfs/dbraw/zinc/90/04/02/563900402.db2.gz JBXIIWGKNBGQQW-UHFFFAOYSA-N 0 0 349.430 5.543 40 0 EKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2cc(Cl)ccc2o1 ZINC000039897550 257854263 /nfs/dbraw/zinc/85/42/63/257854263.db2.gz BYWIQXFFLUVNHS-UHFFFAOYSA-N 0 0 340.593 5.645 40 0 EKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1cc2cc(Cl)ccc2o1 ZINC000039897555 563900584 /nfs/dbraw/zinc/90/05/84/563900584.db2.gz IXGPMWUORANZEV-UHFFFAOYSA-N 0 0 339.700 5.357 40 0 EKABRN O=C(Nc1ccccc1C(F)(F)F)c1cc2cc(Cl)ccc2o1 ZINC000039897559 563900619 /nfs/dbraw/zinc/90/06/19/563900619.db2.gz GRQRQQWLHLQGNP-UHFFFAOYSA-N 0 0 339.700 5.357 40 0 EKABRN CCCCc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 ZINC000039897564 563900687 /nfs/dbraw/zinc/90/06/87/563900687.db2.gz CCMCPZHVMYUFHB-UHFFFAOYSA-N 0 0 327.811 5.681 40 0 EKABRN Cc1ccccc1OCCCn1c2ccccc2nc1C1CCCCC1 ZINC000039907788 213243294 /nfs/dbraw/zinc/24/32/94/213243294.db2.gz MHJLRCDYRFYNKM-UHFFFAOYSA-N 0 0 348.490 5.862 40 0 EKABRN O=Cc1c(OCc2c(Cl)cccc2Cl)ccc2ccccc21 ZINC000039964251 563922739 /nfs/dbraw/zinc/92/27/39/563922739.db2.gz NGDLRNIWKKTJMK-UHFFFAOYSA-N 0 0 331.198 5.538 40 0 EKABRN CC[C@H](NC(=S)Nc1ccc(C)c(Cl)c1)c1ccc(C)c(C)c1 ZINC000039968799 213247131 /nfs/dbraw/zinc/24/71/31/213247131.db2.gz XUFVYCIQIDOJGS-SFHVURJKSA-N 0 0 346.927 5.703 40 0 EKABRN CC[C@@H](NC(=S)Nc1ccc(C)c(Cl)c1)c1ccc(C)c(C)c1 ZINC000039968800 213247499 /nfs/dbraw/zinc/24/74/99/213247499.db2.gz XUFVYCIQIDOJGS-GOSISDBHSA-N 0 0 346.927 5.703 40 0 EKABRN CC(C)(C)c1ccc(-c2nnc(CNc3ccc(Cl)cc3)[nH]2)cc1 ZINC000040174525 213279165 /nfs/dbraw/zinc/27/91/65/213279165.db2.gz NAPNPRXPQIEQHX-UHFFFAOYSA-N 0 0 340.858 5.035 40 0 EKABRN COc1ccccc1OCCCCn1c2ccccc2nc1C(C)C ZINC000040231340 213283891 /nfs/dbraw/zinc/28/38/91/213283891.db2.gz WWAKGGGDWDRBMN-UHFFFAOYSA-N 0 0 338.451 5.028 40 0 EKABRN COc1ccc(OCCCCn2c3ccccc3nc2C(C)C)cc1 ZINC000040231356 213283682 /nfs/dbraw/zinc/28/36/82/213283682.db2.gz IBEATBPXXPWTJS-UHFFFAOYSA-N 0 0 338.451 5.028 40 0 EKABRN CC(C)(C)c1nc2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000040239234 563922848 /nfs/dbraw/zinc/92/28/48/563922848.db2.gz LKCVBXUKGBMRGY-UHFFFAOYSA-N 0 0 328.843 5.066 40 0 EKABRN CCCCCn1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000040435280 564046713 /nfs/dbraw/zinc/04/67/13/564046713.db2.gz ZAOKDVBETBFRSN-UHFFFAOYSA-N 0 0 341.454 6.216 40 0 in-vitro EKABRN CC(=O)OC/C=C(C)\C=C/C=C(C)\C=C/C1=C(C)CCCC1(C)C ZINC000040454325 563923120 /nfs/dbraw/zinc/92/31/20/563923120.db2.gz QGNJRVVDBSJHIZ-IQCIHMQOSA-N 0 0 328.496 6.081 40 0 EKABRN CC(=O)OC/C=C(C)\C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C ZINC000040454328 213304645 /nfs/dbraw/zinc/30/46/45/213304645.db2.gz QGNJRVVDBSJHIZ-SNMBCVONSA-N 0 0 328.496 6.081 40 0 EKABRN CCOC(=O)c1c(Cc2ccccc2Cl)c[nH]c1-c1ccccc1 ZINC000040483777 213315234 /nfs/dbraw/zinc/31/52/34/213315234.db2.gz CSDALTFOKTXXCD-UHFFFAOYSA-N 0 0 339.822 5.103 40 0 EKABRN CC(C)c1ccc(CNN=c2[nH]c3c(cccc3Cl)s2)cc1 ZINC000040542195 201088189 /nfs/dbraw/zinc/08/81/89/201088189.db2.gz IWPUKPFNTWOBRG-UHFFFAOYSA-N 0 0 331.872 5.190 40 0 EKABRN Cc1ccc(C)c2sc(=NNCc3ccc(C(C)C)cc3)[nH]c21 ZINC000040542211 213345217 /nfs/dbraw/zinc/34/52/17/213345217.db2.gz KOXVHBRWLRUNIG-UHFFFAOYSA-N 0 0 325.481 5.153 40 0 EKABRN Cc1cc2nc(-c3ccc(C)c(Cl)c3)oc2c(Br)c1 ZINC000040542315 213345024 /nfs/dbraw/zinc/34/50/24/213345024.db2.gz JWSVPKVGCGVQSG-UHFFFAOYSA-N 0 0 336.616 5.528 40 0 EKABRN Cc1cc2nc(-c3ccc(C(C)C)cc3)oc2c(Br)c1 ZINC000040542333 201088252 /nfs/dbraw/zinc/08/82/52/201088252.db2.gz AKWWGGQHGGTJJH-UHFFFAOYSA-N 0 0 330.225 5.689 40 0 EKABRN Cc1cc2nc(-c3ccc(C(C)(C)C)cc3)oc2c(Br)c1 ZINC000040542335 201088609 /nfs/dbraw/zinc/08/86/09/201088609.db2.gz UWPZVNASSSOWGB-UHFFFAOYSA-N 0 0 344.252 5.863 40 0 EKABRN Clc1cc(Cl)c2nc(-c3ccc(Br)cc3)cn2c1 ZINC000040715129 213373001 /nfs/dbraw/zinc/37/30/01/213373001.db2.gz WUYLRMKJPLGGDU-UHFFFAOYSA-N 0 0 342.023 5.071 40 0 EKABRN CC(C)(C)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000040717358 257854253 /nfs/dbraw/zinc/85/42/53/257854253.db2.gz AXEFBPAFDZUEBP-UHFFFAOYSA-N 0 0 329.443 5.903 40 0 EKABRN CCCCc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 ZINC000040846533 563923852 /nfs/dbraw/zinc/92/38/52/563923852.db2.gz HFKMGTCKWLWGBY-UHFFFAOYSA-N 0 0 339.479 5.344 40 0 EKABRN CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000040913158 563923877 /nfs/dbraw/zinc/92/38/77/563923877.db2.gz OQNLRKVCXRLHGY-HZPDHXFCSA-N 0 0 339.907 5.057 40 0 EKABRN CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000040913159 213399976 /nfs/dbraw/zinc/39/99/76/213399976.db2.gz OQNLRKVCXRLHGY-CVEARBPZSA-N 0 0 339.907 5.057 40 0 EKABRN CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000040913160 563923874 /nfs/dbraw/zinc/92/38/74/563923874.db2.gz OQNLRKVCXRLHGY-JKSUJKDBSA-N 0 0 339.907 5.057 40 0 EKABRN CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000040913161 213399374 /nfs/dbraw/zinc/39/93/74/213399374.db2.gz OQNLRKVCXRLHGY-HOTGVXAUSA-N 0 0 339.907 5.057 40 0 EKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc(C)c1Cl ZINC000040913178 563982483 /nfs/dbraw/zinc/98/24/83/563982483.db2.gz APGBHOHKOUMUFU-HNNXBMFYSA-N 0 0 345.870 5.486 40 0 EKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc(C)c1Cl ZINC000040913179 213399423 /nfs/dbraw/zinc/39/94/23/213399423.db2.gz APGBHOHKOUMUFU-OAHLLOKOSA-N 0 0 345.870 5.486 40 0 EKABRN Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c(C)c1 ZINC000040913180 563982488 /nfs/dbraw/zinc/98/24/88/563982488.db2.gz LZNJTGXNYHMQKD-MRXNPFEDSA-N 0 0 345.870 5.288 40 0 EKABRN Cc1cc(C)c(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c(C)c1 ZINC000040913181 563982486 /nfs/dbraw/zinc/98/24/86/563982486.db2.gz LZNJTGXNYHMQKD-INIZCTEOSA-N 0 0 345.870 5.288 40 0 EKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc(C)c1Cl ZINC000040913228 563982494 /nfs/dbraw/zinc/98/24/94/563982494.db2.gz QBQMPGMGIMHDBH-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc(C)c1Cl ZINC000040913229 563982487 /nfs/dbraw/zinc/98/24/87/563982487.db2.gz QBQMPGMGIMHDBH-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccc(Cl)cc1 ZINC000040925975 563982492 /nfs/dbraw/zinc/98/24/92/563982492.db2.gz AGDXBBWSDDZGTQ-UHFFFAOYSA-N 0 0 342.851 5.333 40 0 EKABRN CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000040945035 563923990 /nfs/dbraw/zinc/92/39/90/563923990.db2.gz VBWNSWHORGKRHE-IAGOWNOFSA-N 0 0 333.516 5.084 40 0 EKABRN CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000040945037 563923991 /nfs/dbraw/zinc/92/39/91/563923991.db2.gz VBWNSWHORGKRHE-SJORKVTESA-N 0 0 333.516 5.084 40 0 EKABRN CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000040945039 563923982 /nfs/dbraw/zinc/92/39/82/563923982.db2.gz VBWNSWHORGKRHE-DLBZAZTESA-N 0 0 333.516 5.084 40 0 EKABRN CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000040945041 563923969 /nfs/dbraw/zinc/92/39/69/563923969.db2.gz VBWNSWHORGKRHE-IRXDYDNUSA-N 0 0 333.516 5.084 40 0 EKABRN Cc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccc(F)cc1 ZINC000040967292 563982568 /nfs/dbraw/zinc/98/25/68/563982568.db2.gz AXRIJQKLWOIZNP-UHFFFAOYSA-N 0 0 346.814 5.163 40 0 EKABRN O=C(CCc1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1 ZINC000040995095 563924126 /nfs/dbraw/zinc/92/41/26/563924126.db2.gz YGFIXJFXCNGKLS-UHFFFAOYSA-N 0 0 349.861 5.178 40 0 EKABRN O=C(CCc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000040995097 563924080 /nfs/dbraw/zinc/92/40/80/563924080.db2.gz ACJATESPKCPIAZ-UHFFFAOYSA-N 0 0 328.626 5.218 40 0 EKABRN O=C(CCc1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000040995099 563924143 /nfs/dbraw/zinc/92/41/43/563924143.db2.gz GOMHMHZXVROXOW-UHFFFAOYSA-N 0 0 328.626 5.218 40 0 EKABRN COc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1ccccc1C ZINC000041005020 564049989 /nfs/dbraw/zinc/04/99/89/564049989.db2.gz QGOYYHWFRIXEAK-UHFFFAOYSA-N 0 0 344.414 5.126 40 0 EKABRN COc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1ccc(C)cc1 ZINC000041005022 202470495 /nfs/dbraw/zinc/47/04/95/202470495.db2.gz GTGISLIGNOZERF-UHFFFAOYSA-N 0 0 344.414 5.126 40 0 EKABRN Clc1ccccc1COc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000041005025 564049974 /nfs/dbraw/zinc/04/99/74/564049974.db2.gz OFTAOGNVGLMUHB-UHFFFAOYSA-N 0 0 334.806 5.462 40 0 EKABRN CCOc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1ccccc1 ZINC000041005138 564049973 /nfs/dbraw/zinc/04/99/73/564049973.db2.gz MOQRZHOVEDIIJE-UHFFFAOYSA-N 0 0 344.414 5.208 40 0 EKABRN Clc1ccccc1COc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000041005193 564049985 /nfs/dbraw/zinc/04/99/85/564049985.db2.gz VWTBFMPYDABGAV-UHFFFAOYSA-N 0 0 334.806 5.462 40 0 EKABRN Cc1ccc(C)c(NC(=O)c2cc3cc(Br)ccc3o2)c1 ZINC000041007092 203992269 /nfs/dbraw/zinc/99/22/69/203992269.db2.gz OVZQFLISPLEHTH-UHFFFAOYSA-N 0 0 344.208 5.064 40 0 EKABRN Cc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1C ZINC000041007096 563982561 /nfs/dbraw/zinc/98/25/61/563982561.db2.gz NXWVOOHOGFSAKH-UHFFFAOYSA-N 0 0 344.208 5.064 40 0 EKABRN Cc1cc(C)cc(NC(=O)c2cc3cc(Br)ccc3o2)c1 ZINC000041007098 563982557 /nfs/dbraw/zinc/98/25/57/563982557.db2.gz YSWNJCOVZDMFCN-UHFFFAOYSA-N 0 0 344.208 5.064 40 0 EKABRN CCc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1 ZINC000041007101 563982562 /nfs/dbraw/zinc/98/25/62/563982562.db2.gz UUNWIHPFAGASLN-UHFFFAOYSA-N 0 0 344.208 5.010 40 0 EKABRN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(C2CCCCC2)cc1 ZINC000041091130 563924162 /nfs/dbraw/zinc/92/41/62/563924162.db2.gz CUKQHMINGWDQMM-UHFFFAOYSA-N 0 0 349.883 5.189 40 0 EKABRN O=Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Cl ZINC000041127210 213420603 /nfs/dbraw/zinc/42/06/03/213420603.db2.gz YZLUZSQYPFVHRS-UHFFFAOYSA-N 0 0 326.566 5.268 40 0 EKABRN O=C(NC1CCCCC1)c1cccc(-c2nc3ccccc3s2)c1 ZINC000041127515 564052114 /nfs/dbraw/zinc/05/21/14/564052114.db2.gz CBRVBWWHERSMHB-UHFFFAOYSA-N 0 0 336.460 5.026 40 0 EKABRN COc1ccc2oc(C(=O)Nc3cccc(Cl)c3Cl)cc2c1 ZINC000041306316 564024688 /nfs/dbraw/zinc/02/46/88/564024688.db2.gz OTVKCISUVGRQEK-UHFFFAOYSA-N 0 0 336.174 5.001 40 0 EKABRN COc1ccc2oc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2c1 ZINC000041306323 564024664 /nfs/dbraw/zinc/02/46/64/564024664.db2.gz ACLBLZFGAOQPIZ-UHFFFAOYSA-N 0 0 336.174 5.001 40 0 EKABRN Cc1ccc(SCCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000041779769 564024667 /nfs/dbraw/zinc/02/46/67/564024667.db2.gz KASAUFWAYNNKSD-UHFFFAOYSA-N 0 0 340.275 5.423 40 0 EKABRN CC(=O)CC/C=C(/C)CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]12C ZINC000043735912 213595599 /nfs/dbraw/zinc/59/55/99/213595599.db2.gz OMUMQXPIWUEEEG-DEHHUPFJSA-N 0 0 330.556 6.881 40 0 EKABRN CC(=O)CC/C=C(/C)CC[C@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]12C ZINC000043735913 563986339 /nfs/dbraw/zinc/98/63/39/563986339.db2.gz OMUMQXPIWUEEEG-PCPOEBLKSA-N 0 0 330.556 6.881 40 0 EKABRN CCCOc1ccc2c(c1)CC[C@@H]1[C@H]3CC[C@H](OC)[C@]3(C)CC[C@@H]21 ZINC000043771932 563925945 /nfs/dbraw/zinc/92/59/45/563925945.db2.gz IUWKNLFTJBHTSD-BIRZXAFVSA-N 0 0 328.496 5.347 40 0 EKABRN CC(C)(C)Sc1cc(SC(C)(C)C)cc(SC(C)(C)C)c1 ZINC000044069142 563926060 /nfs/dbraw/zinc/92/60/60/563926060.db2.gz ZIHOGUOAVUUMKB-UHFFFAOYSA-N 0 0 342.639 7.358 40 0 EKABRN COC(=O)C[C@@H](C)CCCCCCCCCCCCc1ccccc1 ZINC000044076035 563926074 /nfs/dbraw/zinc/92/60/74/563926074.db2.gz JPSAJPNKLSJSSO-NRFANRHFSA-N 0 0 346.555 6.719 40 0 EKABRN COC(=O)C[C@H](C)CCCCCCCCCCCCc1ccccc1 ZINC000044076038 563926070 /nfs/dbraw/zinc/92/60/70/563926070.db2.gz JPSAJPNKLSJSSO-OAQYLSRUSA-N 0 0 346.555 6.719 40 0 EKABRN Cc1snc(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000044137724 564117974 /nfs/dbraw/zinc/11/79/74/564117974.db2.gz LMXMTWPJEYGJBV-UHFFFAOYSA-N 0 0 330.250 5.548 40 0 EKABRN CC1(C)CC(=O)c2c(nc3ccc(Cl)cc3c2-c2ccccc2)C1 ZINC000044137980 563926242 /nfs/dbraw/zinc/92/62/42/563926242.db2.gz QSSVASUDWSXNEV-UHFFFAOYSA-N 0 0 335.834 5.710 40 0 EKABRN Cc1ccc2[nH]c(-c3ccc(-c4nc5cc(C)ccc5[nH]4)cc3)nc2c1 ZINC000044138633 564061741 /nfs/dbraw/zinc/06/17/41/564061741.db2.gz GECUVJMEEJHNLF-UHFFFAOYSA-N 0 0 338.414 5.390 40 0 EKABRN CC(C)(C)c1ccc(C(=O)Nc2ccc3[nH]c4ccccc4c3c2)cc1 ZINC000044781673 564027141 /nfs/dbraw/zinc/02/71/41/564027141.db2.gz MJRVGIMOSBTHDR-UHFFFAOYSA-N 0 0 342.442 5.871 40 0 EKABRN Cc1ccc(C(=O)Nc2ccc3[nH]c4ccccc4c3c2)c(Cl)c1 ZINC000044781793 564027144 /nfs/dbraw/zinc/02/71/44/564027144.db2.gz DQQPZDGTVUWPQR-UHFFFAOYSA-N 0 0 334.806 5.535 40 0 EKABRN Cc1ccc(C(=O)Nc2ccc3[nH]c4ccccc4c3c2)cc1Cl ZINC000044781796 213648326 /nfs/dbraw/zinc/64/83/26/213648326.db2.gz MKRJDQGFJDVWCF-UHFFFAOYSA-N 0 0 334.806 5.535 40 0 EKABRN O=C(CCCc1ccccc1)Nc1ccc2[nH]c3ccccc3c2c1 ZINC000044781854 564027145 /nfs/dbraw/zinc/02/71/45/564027145.db2.gz AFYQTGBEJJWZCB-UHFFFAOYSA-N 0 0 328.415 5.283 40 0 EKABRN CC[C@H](C(=O)Nc1ccc2[nH]c3ccccc3c2c1)c1ccccc1 ZINC000044781858 564027161 /nfs/dbraw/zinc/02/71/61/564027161.db2.gz DGMHLVAGLZIDFN-KRWDZBQOSA-N 0 0 328.415 5.453 40 0 EKABRN CC[C@@H](C(=O)Nc1ccc2[nH]c3ccccc3c2c1)c1ccccc1 ZINC000044781860 202527096 /nfs/dbraw/zinc/52/70/96/202527096.db2.gz DGMHLVAGLZIDFN-QGZVFWFLSA-N 0 0 328.415 5.453 40 0 EKABRN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc2[nH]c3ccccc3c2c1 ZINC000044781917 213647134 /nfs/dbraw/zinc/64/71/34/213647134.db2.gz VCAWANFEABYDSJ-NRFANRHFSA-N 0 0 344.414 5.117 40 0 EKABRN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc2[nH]c3ccccc3c2c1 ZINC000044781921 564027163 /nfs/dbraw/zinc/02/71/63/564027163.db2.gz VCAWANFEABYDSJ-OAQYLSRUSA-N 0 0 344.414 5.117 40 0 EKABRN O=C(Nc1ccccc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000044839299 563926771 /nfs/dbraw/zinc/92/67/71/563926771.db2.gz HDKGFTSCKPQDTQ-UHFFFAOYSA-N 0 0 349.455 5.110 40 0 EKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(Cl)cc1C ZINC000044839566 563926811 /nfs/dbraw/zinc/92/68/11/563926811.db2.gz WTJCTIZMYGZABU-KRWDZBQOSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(Cl)cc1C ZINC000044839571 563926836 /nfs/dbraw/zinc/92/68/36/563926836.db2.gz WTJCTIZMYGZABU-QGZVFWFLSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](CC)c1ccc(C)cc1 ZINC000044840317 213650807 /nfs/dbraw/zinc/65/08/07/213650807.db2.gz AFAODPRJPJPLRX-ZWKOTPCHSA-N 0 0 345.870 5.073 40 0 EKABRN CC[C@@H](NC(=O)[C@@H](CC)Oc1ccccc1Cl)c1ccc(C)cc1 ZINC000044840323 563926816 /nfs/dbraw/zinc/92/68/16/563926816.db2.gz AFAODPRJPJPLRX-QZTJIDSGSA-N 0 0 345.870 5.073 40 0 EKABRN CC[C@H](NC(=O)[C@H](CC)Oc1ccccc1Cl)c1ccc(C)cc1 ZINC000044840328 563926814 /nfs/dbraw/zinc/92/68/14/563926814.db2.gz AFAODPRJPJPLRX-ROUUACIJSA-N 0 0 345.870 5.073 40 0 EKABRN CC[C@@H](NC(=O)[C@H](CC)Oc1ccccc1Cl)c1ccc(C)cc1 ZINC000044840333 563926857 /nfs/dbraw/zinc/92/68/57/563926857.db2.gz AFAODPRJPJPLRX-MSOLQXFVSA-N 0 0 345.870 5.073 40 0 EKABRN Cc1ccc([C@H](NC(=O)/C=C/c2ccc(F)cc2)c2ccccc2)cc1 ZINC000044840587 202529349 /nfs/dbraw/zinc/52/93/49/202529349.db2.gz FMBUIUOLUQFGLE-UUFSLDAJSA-N 0 0 345.417 5.053 40 0 EKABRN Cc1ccc([C@@H](NC(=O)/C=C/c2ccc(F)cc2)c2ccccc2)cc1 ZINC000044840592 563926859 /nfs/dbraw/zinc/92/68/59/563926859.db2.gz FMBUIUOLUQFGLE-LJJIPZOBSA-N 0 0 345.417 5.053 40 0 EKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1cc(C)cc(C)c1 ZINC000044841592 213650388 /nfs/dbraw/zinc/65/03/88/213650388.db2.gz OTAPRQJLGBNRBT-FQEVSTJZSA-N 0 0 333.431 5.253 40 0 EKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1cc(C)cc(C)c1 ZINC000044841597 563926831 /nfs/dbraw/zinc/92/68/31/563926831.db2.gz OTAPRQJLGBNRBT-HXUWFJFHSA-N 0 0 333.431 5.253 40 0 EKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(C(C)C)cc1 ZINC000044841849 563926941 /nfs/dbraw/zinc/92/69/41/563926941.db2.gz ZWJGSTVZPBHWFT-NRFANRHFSA-N 0 0 347.458 5.759 40 0 EKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(C(C)C)cc1 ZINC000044841854 563926950 /nfs/dbraw/zinc/92/69/50/563926950.db2.gz ZWJGSTVZPBHWFT-OAQYLSRUSA-N 0 0 347.458 5.759 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000044841905 563926932 /nfs/dbraw/zinc/92/69/32/563926932.db2.gz OKLMFHNVKVLPOY-PMXLPMHFSA-N 0 0 335.491 5.492 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000044841910 563926939 /nfs/dbraw/zinc/92/69/39/563926939.db2.gz OKLMFHNVKVLPOY-MDNBWPLSSA-N 0 0 335.491 5.492 40 0 EKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(C)C ZINC000044843939 563926942 /nfs/dbraw/zinc/92/69/42/563926942.db2.gz SNMJFOLABBYSFU-IBGZPJMESA-N 0 0 325.452 5.223 40 0 EKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(C)C ZINC000044843944 563926945 /nfs/dbraw/zinc/92/69/45/563926945.db2.gz SNMJFOLABBYSFU-LJQANCHMSA-N 0 0 325.452 5.223 40 0 EKABRN Cc1ccc(C)c(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 ZINC000044844433 563926937 /nfs/dbraw/zinc/92/69/37/563926937.db2.gz YVKSOQGNVPAKLL-DEOSSOPVSA-N 0 0 343.470 5.060 40 0 EKABRN Cc1ccc(C)c(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 ZINC000044844439 563926938 /nfs/dbraw/zinc/92/69/38/563926938.db2.gz YVKSOQGNVPAKLL-XMMPIXPASA-N 0 0 343.470 5.060 40 0 EKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000044844615 563926988 /nfs/dbraw/zinc/92/69/88/563926988.db2.gz QFJZCGDEEPJOOG-QFIPXVFZSA-N 0 0 347.458 5.759 40 0 EKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000044844620 563926980 /nfs/dbraw/zinc/92/69/80/563926980.db2.gz QFJZCGDEEPJOOG-JOCHJYFZSA-N 0 0 347.458 5.759 40 0 EKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](CC)c1ccc(C)cc1 ZINC000044844697 563927017 /nfs/dbraw/zinc/92/70/17/563927017.db2.gz CMXSFFCPDRDWIZ-LEWJYISDSA-N 0 0 339.479 5.037 40 0 EKABRN CC[C@@H](NC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1)c1ccc(C)cc1 ZINC000044844702 563927007 /nfs/dbraw/zinc/92/70/07/563927007.db2.gz CMXSFFCPDRDWIZ-NHCUHLMSSA-N 0 0 339.479 5.037 40 0 EKABRN CC[C@H](NC(=O)[C@H](CC)Oc1ccc(C)c(C)c1)c1ccc(C)cc1 ZINC000044844707 563926985 /nfs/dbraw/zinc/92/69/85/563926985.db2.gz CMXSFFCPDRDWIZ-SFTDATJTSA-N 0 0 339.479 5.037 40 0 EKABRN CC[C@@H](NC(=O)[C@H](CC)Oc1ccc(C)c(C)c1)c1ccc(C)cc1 ZINC000044844712 563927034 /nfs/dbraw/zinc/92/70/34/563927034.db2.gz CMXSFFCPDRDWIZ-RTWAWAEBSA-N 0 0 339.479 5.037 40 0 EKABRN CN(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000044845251 563927026 /nfs/dbraw/zinc/92/70/26/563927026.db2.gz MZKBZEURHISSFH-UHFFFAOYSA-N 0 0 343.898 5.229 40 0 EKABRN Cc1ccc(CSCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 ZINC000044845478 563926990 /nfs/dbraw/zinc/92/69/90/563926990.db2.gz YNTUPYULTWXZLN-FQEVSTJZSA-N 0 0 341.520 5.132 40 0 EKABRN Cc1ccc(CSCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 ZINC000044845483 563927001 /nfs/dbraw/zinc/92/70/01/563927001.db2.gz YNTUPYULTWXZLN-HXUWFJFHSA-N 0 0 341.520 5.132 40 0 EKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1c(C)cccc1C(C)C ZINC000044848025 213651449 /nfs/dbraw/zinc/65/14/49/213651449.db2.gz UXCQPYHDUUNABT-IBGZPJMESA-N 0 0 339.479 5.531 40 0 EKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1c(C)cccc1C(C)C ZINC000044848029 563927116 /nfs/dbraw/zinc/92/71/16/563927116.db2.gz UXCQPYHDUUNABT-LJQANCHMSA-N 0 0 339.479 5.531 40 0 EKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NC1CCCCCCC1 ZINC000044848356 563927124 /nfs/dbraw/zinc/92/71/24/563927124.db2.gz LPKPUQANJLHPHF-KRWDZBQOSA-N 0 0 339.932 5.440 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CCCCCCC1 ZINC000044848360 563927112 /nfs/dbraw/zinc/92/71/12/563927112.db2.gz LPKPUQANJLHPHF-QGZVFWFLSA-N 0 0 339.932 5.440 40 0 EKABRN CCSc1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000044848409 563927122 /nfs/dbraw/zinc/92/71/22/563927122.db2.gz GTOVWBNYBHFPFP-UHFFFAOYSA-N 0 0 340.492 5.041 40 0 EKABRN Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1Cl ZINC000044849172 563927201 /nfs/dbraw/zinc/92/72/01/563927201.db2.gz PPDSBOBCHHIGFQ-CQSZACIVSA-N 0 0 331.843 5.178 40 0 EKABRN Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1Cl ZINC000044849176 563927211 /nfs/dbraw/zinc/92/72/11/563927211.db2.gz PPDSBOBCHHIGFQ-AWEZNQCLSA-N 0 0 331.843 5.178 40 0 EKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000044849388 213651398 /nfs/dbraw/zinc/65/13/98/213651398.db2.gz LECIEIAJVXPIGK-INIZCTEOSA-N 0 0 333.431 5.369 40 0 EKABRN CC(C)c1ccccc1O[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000044849392 213651831 /nfs/dbraw/zinc/65/18/31/213651831.db2.gz LECIEIAJVXPIGK-MRXNPFEDSA-N 0 0 333.431 5.369 40 0 EKABRN Cc1cccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 ZINC000044849613 563927209 /nfs/dbraw/zinc/92/72/09/563927209.db2.gz NGKILQMLNAJIKO-UHFFFAOYSA-N 0 0 340.275 5.174 40 0 EKABRN Cc1ccccc1[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000044850496 563927200 /nfs/dbraw/zinc/92/72/00/563927200.db2.gz BKETXQBAFXNWAU-HRNYAPDYSA-N 0 0 345.417 5.053 40 0 EKABRN Cc1ccccc1[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000044850498 563927217 /nfs/dbraw/zinc/92/72/17/563927217.db2.gz BKETXQBAFXNWAU-IGVGMEOHSA-N 0 0 345.417 5.053 40 0 EKABRN CCCCc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2Cl)cc1 ZINC000044880120 213656754 /nfs/dbraw/zinc/65/67/54/213656754.db2.gz KZLXKBUYJNHIAE-GOSISDBHSA-N 0 0 345.870 5.479 40 0 EKABRN CCCCc1ccc(NC(=O)[C@H](CC)Oc2ccccc2Cl)cc1 ZINC000044880123 563927283 /nfs/dbraw/zinc/92/72/83/563927283.db2.gz KZLXKBUYJNHIAE-SFHVURJKSA-N 0 0 345.870 5.479 40 0 EKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1 ZINC000044880462 213656987 /nfs/dbraw/zinc/65/69/87/213656987.db2.gz XSTMCQSCCYGCRX-IBGZPJMESA-N 0 0 339.822 5.289 40 0 EKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1 ZINC000044880463 563927285 /nfs/dbraw/zinc/92/72/85/563927285.db2.gz XSTMCQSCCYGCRX-LJQANCHMSA-N 0 0 339.822 5.289 40 0 EKABRN Cc1ccc(C)c(CC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000044880619 563927296 /nfs/dbraw/zinc/92/72/96/563927296.db2.gz ZDNCHDRHWCIVKY-UHFFFAOYSA-N 0 0 345.442 5.064 40 0 EKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000044880921 563927297 /nfs/dbraw/zinc/92/72/97/563927297.db2.gz NVZKBQDDQBORPL-SFHVURJKSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000044880924 563927301 /nfs/dbraw/zinc/92/73/01/563927301.db2.gz NVZKBQDDQBORPL-GOSISDBHSA-N 0 0 331.843 5.061 40 0 EKABRN CCCCc1ccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2C)cc1 ZINC000044881007 563927279 /nfs/dbraw/zinc/92/72/79/563927279.db2.gz XOQGTTBLXVSWAS-HXUWFJFHSA-N 0 0 339.479 5.442 40 0 EKABRN CCCCc1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2C)cc1 ZINC000044881010 563927290 /nfs/dbraw/zinc/92/72/90/563927290.db2.gz XOQGTTBLXVSWAS-FQEVSTJZSA-N 0 0 339.479 5.442 40 0 EKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1cccc(C)c1C ZINC000044883281 563927378 /nfs/dbraw/zinc/92/73/78/563927378.db2.gz GWGHUPXAUWQGAR-FQEVSTJZSA-N 0 0 333.431 5.253 40 0 EKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1cccc(C)c1C ZINC000044883284 563927358 /nfs/dbraw/zinc/92/73/58/563927358.db2.gz GWGHUPXAUWQGAR-HXUWFJFHSA-N 0 0 333.431 5.253 40 0 EKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1C ZINC000044883446 563927372 /nfs/dbraw/zinc/92/73/72/563927372.db2.gz LJUPHNOVOODXFR-HNNXBMFYSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1C ZINC000044883449 563927367 /nfs/dbraw/zinc/92/73/67/563927367.db2.gz LJUPHNOVOODXFR-OAHLLOKOSA-N 0 0 338.234 5.098 40 0 EKABRN CCc1ccccc1NC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 ZINC000044883458 213656768 /nfs/dbraw/zinc/65/67/68/213656768.db2.gz WMCXFEZPYWBKJG-QGZVFWFLSA-N 0 0 333.884 5.412 40 0 EKABRN CCc1ccccc1NC(=O)[C@H](CC)Sc1ccc(Cl)cc1 ZINC000044883461 213656213 /nfs/dbraw/zinc/65/62/13/213656213.db2.gz WMCXFEZPYWBKJG-KRWDZBQOSA-N 0 0 333.884 5.412 40 0 EKABRN CCSc1ccccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000044883847 563927375 /nfs/dbraw/zinc/92/73/75/563927375.db2.gz KDNMSHXZEQIOIT-UHFFFAOYSA-N 0 0 326.248 5.358 40 0 EKABRN CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1ccccc1Cl ZINC000044884004 563927361 /nfs/dbraw/zinc/92/73/61/563927361.db2.gz LSMMRKCTPZFLSW-QGZVFWFLSA-N 0 0 345.870 5.261 40 0 EKABRN CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1ccccc1Cl ZINC000044884007 563927356 /nfs/dbraw/zinc/92/73/56/563927356.db2.gz LSMMRKCTPZFLSW-KRWDZBQOSA-N 0 0 345.870 5.261 40 0 EKABRN CC(C)C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 ZINC000044885028 563927422 /nfs/dbraw/zinc/92/74/22/563927422.db2.gz FHANQUSCWYQHRB-QHSLDKKCSA-N 0 0 327.855 5.257 40 0 EKABRN CC(C)C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 ZINC000044885031 213657332 /nfs/dbraw/zinc/65/73/32/213657332.db2.gz FHANQUSCWYQHRB-YFPIXMDGSA-N 0 0 327.855 5.257 40 0 EKABRN CCSc1ccccc1NC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000044885512 563927407 /nfs/dbraw/zinc/92/74/07/563927407.db2.gz ZKEDFSYSDYHDNV-UHFFFAOYSA-N 0 0 347.439 5.950 40 0 EKABRN CN(C(=O)/C(=C/c1ccccc1Cl)c1ccccc1)C1CCCC1 ZINC000044885629 563927406 /nfs/dbraw/zinc/92/74/06/563927406.db2.gz WWZXZBBAEUHRCW-XDJHFCHBSA-N 0 0 339.866 5.282 40 0 EKABRN O=C(N[C@@H]1CCCc2ccccc21)/C(=C/c1ccco1)c1ccccc1 ZINC000044899670 563927550 /nfs/dbraw/zinc/92/75/50/563927550.db2.gz ILFHYOMWNYHGEI-QEQIRTOISA-N 0 0 343.426 5.014 40 0 EKABRN O=C(N[C@H]1CCCc2ccccc21)/C(=C/c1ccco1)c1ccccc1 ZINC000044899671 563927520 /nfs/dbraw/zinc/92/75/20/563927520.db2.gz ILFHYOMWNYHGEI-CIPTZOQDSA-N 0 0 343.426 5.014 40 0 EKABRN CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1 ZINC000044899699 563927514 /nfs/dbraw/zinc/92/75/14/563927514.db2.gz BXDVEBIEECKABF-HXUWFJFHSA-N 0 0 339.479 5.224 40 0 EKABRN CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1ccc(C)c(C)c1 ZINC000044899700 563927506 /nfs/dbraw/zinc/92/75/06/563927506.db2.gz BXDVEBIEECKABF-FQEVSTJZSA-N 0 0 339.479 5.224 40 0 EKABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1C ZINC000044899978 213667300 /nfs/dbraw/zinc/66/73/00/213667300.db2.gz BLTSPFORFJXHSM-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1C ZINC000044899979 563927607 /nfs/dbraw/zinc/92/76/07/563927607.db2.gz BLTSPFORFJXHSM-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(SCCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 ZINC000044900141 525652626 /nfs/dbraw/zinc/65/26/26/525652626.db2.gz IMEYKVYZTQWSKY-FQEVSTJZSA-N 0 0 341.520 5.381 40 0 EKABRN Cc1ccc(SCCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 ZINC000044900142 563927622 /nfs/dbraw/zinc/92/76/22/563927622.db2.gz IMEYKVYZTQWSKY-HXUWFJFHSA-N 0 0 341.520 5.381 40 0 EKABRN O=C(N[C@@H]1CCCc2ccccc21)c1cc2c(ccc3ccccc23)o1 ZINC000044900251 213666911 /nfs/dbraw/zinc/66/69/11/213666911.db2.gz CWZCKRWVVLMIQR-HXUWFJFHSA-N 0 0 341.410 5.393 40 0 EKABRN O=C(N[C@H]1CCCc2ccccc21)c1cc2c(ccc3ccccc23)o1 ZINC000044900252 213666947 /nfs/dbraw/zinc/66/69/47/213666947.db2.gz CWZCKRWVVLMIQR-FQEVSTJZSA-N 0 0 341.410 5.393 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c(C)c1 ZINC000044900353 563927682 /nfs/dbraw/zinc/92/76/82/563927682.db2.gz SGUUGHWHKFLRCG-QZTJIDSGSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c(C)c1 ZINC000044900354 563927666 /nfs/dbraw/zinc/92/76/66/563927666.db2.gz SGUUGHWHKFLRCG-ZWKOTPCHSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c(C)c1 ZINC000044900355 563927674 /nfs/dbraw/zinc/92/76/74/563927674.db2.gz SGUUGHWHKFLRCG-MSOLQXFVSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c(C)c1 ZINC000044900356 563927705 /nfs/dbraw/zinc/92/77/05/563927705.db2.gz SGUUGHWHKFLRCG-ROUUACIJSA-N 0 0 347.458 5.101 40 0 EKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(C)c(C)c1 ZINC000044900371 563927665 /nfs/dbraw/zinc/92/76/65/563927665.db2.gz GVHBLOZQJRGEOO-FQEVSTJZSA-N 0 0 333.431 5.253 40 0 EKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(C)c(C)c1 ZINC000044900372 213667033 /nfs/dbraw/zinc/66/70/33/213667033.db2.gz GVHBLOZQJRGEOO-HXUWFJFHSA-N 0 0 333.431 5.253 40 0 EKABRN COc1ccc([C@H](C)NC(=O)c2cc3c(ccc4ccccc34)o2)cc1 ZINC000044900458 563927671 /nfs/dbraw/zinc/92/76/71/563927671.db2.gz WHZCQMXCPCZRQI-AWEZNQCLSA-N 0 0 345.398 5.086 40 0 EKABRN COc1ccc([C@@H](C)NC(=O)c2cc3c(ccc4ccccc34)o2)cc1 ZINC000044900460 563927702 /nfs/dbraw/zinc/92/77/02/563927702.db2.gz WHZCQMXCPCZRQI-CQSZACIVSA-N 0 0 345.398 5.086 40 0 EKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000044900462 563927691 /nfs/dbraw/zinc/92/76/91/563927691.db2.gz NPKWPHNNGWQXOM-INIZCTEOSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000044900464 563927661 /nfs/dbraw/zinc/92/76/61/563927661.db2.gz NPKWPHNNGWQXOM-MRXNPFEDSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1Cl ZINC000044901044 563927779 /nfs/dbraw/zinc/92/77/79/563927779.db2.gz RANFUDRWBQSSOH-SFHVURJKSA-N 0 0 339.822 5.289 40 0 EKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1Cl ZINC000044901046 563927760 /nfs/dbraw/zinc/92/77/60/563927760.db2.gz RANFUDRWBQSSOH-GOSISDBHSA-N 0 0 339.822 5.289 40 0 EKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NC1CCCCCC1 ZINC000044901392 563927821 /nfs/dbraw/zinc/92/78/21/563927821.db2.gz AADASXBAPVPGEK-INIZCTEOSA-N 0 0 325.905 5.050 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CCCCCC1 ZINC000044901394 563927800 /nfs/dbraw/zinc/92/78/00/563927800.db2.gz AADASXBAPVPGEK-MRXNPFEDSA-N 0 0 325.905 5.050 40 0 EKABRN C[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(F)cc1 ZINC000044901948 563927813 /nfs/dbraw/zinc/92/78/13/563927813.db2.gz QOUQFXCCWBSDGU-KRWDZBQOSA-N 0 0 347.433 5.102 40 0 EKABRN C[C@@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(F)cc1 ZINC000044901951 563927826 /nfs/dbraw/zinc/92/78/26/563927826.db2.gz QOUQFXCCWBSDGU-QGZVFWFLSA-N 0 0 347.433 5.102 40 0 EKABRN CC[C@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc(C)cc1 ZINC000044902112 213666487 /nfs/dbraw/zinc/66/64/87/213666487.db2.gz FMHPPHIIYAFVSP-SFHVURJKSA-N 0 0 347.911 5.149 40 0 EKABRN CC[C@@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc(C)cc1 ZINC000044902115 213667039 /nfs/dbraw/zinc/66/70/39/213667039.db2.gz FMHPPHIIYAFVSP-GOSISDBHSA-N 0 0 347.911 5.149 40 0 EKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC1=CCCCC1 ZINC000044902387 563927907 /nfs/dbraw/zinc/92/79/07/563927907.db2.gz OQAKHVRRUFIEFX-KRWDZBQOSA-N 0 0 337.916 5.217 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC1=CCCCC1 ZINC000044902390 563927926 /nfs/dbraw/zinc/92/79/26/563927926.db2.gz OQAKHVRRUFIEFX-QGZVFWFLSA-N 0 0 337.916 5.217 40 0 EKABRN Cc1ccccc1CSCC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000044903287 563928009 /nfs/dbraw/zinc/92/80/09/563928009.db2.gz VGQZEKFWJBKYRK-FQEVSTJZSA-N 0 0 341.520 5.132 40 0 EKABRN Cc1ccccc1CSCC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000044903290 563927993 /nfs/dbraw/zinc/92/79/93/563927993.db2.gz VGQZEKFWJBKYRK-HXUWFJFHSA-N 0 0 341.520 5.132 40 0 EKABRN Cc1ccc(OCCCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 ZINC000044903440 563927991 /nfs/dbraw/zinc/92/79/91/563927991.db2.gz VRRHROCJORDOQC-NRFANRHFSA-N 0 0 339.479 5.058 40 0 EKABRN Cc1ccc(OCCCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 ZINC000044903442 563927997 /nfs/dbraw/zinc/92/79/97/563927997.db2.gz VRRHROCJORDOQC-OAQYLSRUSA-N 0 0 339.479 5.058 40 0 EKABRN CCSc1ccccc1NC(=O)[C@H](CC)Oc1cccc(C)c1C ZINC000044903629 563928008 /nfs/dbraw/zinc/92/80/08/563928008.db2.gz PRXBBEXQUFIENZ-KRWDZBQOSA-N 0 0 343.492 5.212 40 0 EKABRN CCSc1ccccc1NC(=O)[C@@H](CC)Oc1cccc(C)c1C ZINC000044903632 563927994 /nfs/dbraw/zinc/92/79/94/563927994.db2.gz PRXBBEXQUFIENZ-QGZVFWFLSA-N 0 0 343.492 5.212 40 0 EKABRN CCSc1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000044903748 563928013 /nfs/dbraw/zinc/92/80/13/563928013.db2.gz IKZQVCFDEQDVQN-UHFFFAOYSA-N 0 0 333.456 5.718 40 0 EKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc2ccccc21 ZINC000044904087 563928084 /nfs/dbraw/zinc/92/80/84/563928084.db2.gz KDWDZBLJXNDBGD-FQEVSTJZSA-N 0 0 333.431 5.253 40 0 EKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc2ccccc21 ZINC000044904089 563928074 /nfs/dbraw/zinc/92/80/74/563928074.db2.gz KDWDZBLJXNDBGD-HXUWFJFHSA-N 0 0 333.431 5.253 40 0 EKABRN CCOc1ccc(NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)cc1 ZINC000044904138 563928076 /nfs/dbraw/zinc/92/80/76/563928076.db2.gz CTWZYSDUPHPJJY-KRWDZBQOSA-N 0 0 349.883 5.248 40 0 EKABRN CCOc1ccc(NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1 ZINC000044904140 213668151 /nfs/dbraw/zinc/66/81/51/213668151.db2.gz CTWZYSDUPHPJJY-QGZVFWFLSA-N 0 0 349.883 5.248 40 0 EKABRN CC(C)C[C@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccccc1 ZINC000044904361 563928077 /nfs/dbraw/zinc/92/80/77/563928077.db2.gz XXTJRGRFOXQXJB-XLIONFOSSA-N 0 0 341.520 5.212 40 0 EKABRN CC(C)C[C@@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccccc1 ZINC000044904363 563928086 /nfs/dbraw/zinc/92/80/86/563928086.db2.gz XXTJRGRFOXQXJB-YLJYHZDGSA-N 0 0 341.520 5.212 40 0 EKABRN CC(C)C[C@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccccc1 ZINC000044904365 563928068 /nfs/dbraw/zinc/92/80/68/563928068.db2.gz XXTJRGRFOXQXJB-PXNSSMCTSA-N 0 0 341.520 5.212 40 0 EKABRN CC(C)C[C@@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccccc1 ZINC000044904367 563928085 /nfs/dbraw/zinc/92/80/85/563928085.db2.gz XXTJRGRFOXQXJB-FXAWDEMLSA-N 0 0 341.520 5.212 40 0 EKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1c(C)cccc1C ZINC000044904404 213668329 /nfs/dbraw/zinc/66/83/29/213668329.db2.gz YNYDTERHZJLGMX-IBGZPJMESA-N 0 0 333.431 5.253 40 0 EKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1c(C)cccc1C ZINC000044904406 563928062 /nfs/dbraw/zinc/92/80/62/563928062.db2.gz YNYDTERHZJLGMX-LJQANCHMSA-N 0 0 333.431 5.253 40 0 EKABRN CC[C@H](NC(=O)c1cc2c(ccc3ccccc23)o1)c1ccccc1 ZINC000044904532 563928072 /nfs/dbraw/zinc/92/80/72/563928072.db2.gz DBMLHEQDOGNZLK-IBGZPJMESA-N 0 0 329.399 5.467 40 0 EKABRN CC[C@@H](NC(=O)c1cc2c(ccc3ccccc23)o1)c1ccccc1 ZINC000044904534 563928059 /nfs/dbraw/zinc/92/80/59/563928059.db2.gz DBMLHEQDOGNZLK-LJQANCHMSA-N 0 0 329.399 5.467 40 0 EKABRN Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000044904693 563928087 /nfs/dbraw/zinc/92/80/87/563928087.db2.gz MNEJYOCDJSKSKL-CQSZACIVSA-N 0 0 331.843 5.178 40 0 EKABRN Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000044904695 563928063 /nfs/dbraw/zinc/92/80/63/563928063.db2.gz MNEJYOCDJSKSKL-AWEZNQCLSA-N 0 0 331.843 5.178 40 0 EKABRN CC[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 ZINC000044904902 563928165 /nfs/dbraw/zinc/92/81/65/563928165.db2.gz BDRZTGURYNCWAX-QHCPKHFHSA-N 0 0 343.470 5.353 40 0 EKABRN CC[C@@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 ZINC000044904904 563928127 /nfs/dbraw/zinc/92/81/27/563928127.db2.gz BDRZTGURYNCWAX-HSZRJFAPSA-N 0 0 343.470 5.353 40 0 EKABRN CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000044946128 213683822 /nfs/dbraw/zinc/68/38/22/213683822.db2.gz TVFQLTWOLZIGMC-MRXNPFEDSA-N 0 0 339.479 5.341 40 0 EKABRN CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000044946132 563928636 /nfs/dbraw/zinc/92/86/36/563928636.db2.gz TVFQLTWOLZIGMC-INIZCTEOSA-N 0 0 339.479 5.341 40 0 EKABRN CCSc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1 ZINC000044946201 563928617 /nfs/dbraw/zinc/92/86/17/563928617.db2.gz JIILOZLGBDFEOP-UHFFFAOYSA-N 0 0 349.883 5.250 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000044946628 563928598 /nfs/dbraw/zinc/92/85/98/563928598.db2.gz BMIXTOFNWUCQEK-GOSISDBHSA-N 0 0 337.507 5.411 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000044946634 563928615 /nfs/dbraw/zinc/92/86/15/563928615.db2.gz BMIXTOFNWUCQEK-SFHVURJKSA-N 0 0 337.507 5.411 40 0 EKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1c(C)cccc1C ZINC000044946925 202538475 /nfs/dbraw/zinc/53/84/75/202538475.db2.gz NSOVYQZAUMPZQR-INIZCTEOSA-N 0 0 333.884 5.466 40 0 EKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1c(C)cccc1C ZINC000044946930 563928592 /nfs/dbraw/zinc/92/85/92/563928592.db2.gz NSOVYQZAUMPZQR-MRXNPFEDSA-N 0 0 333.884 5.466 40 0 EKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(C)C)cc1 ZINC000044946955 563928594 /nfs/dbraw/zinc/92/85/94/563928594.db2.gz DQMCAVUQELLDOJ-KRWDZBQOSA-N 0 0 331.843 5.260 40 0 EKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(C)C)cc1 ZINC000044946961 563928586 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CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccccc1 ZINC000044948424 563928716 /nfs/dbraw/zinc/92/87/16/563928716.db2.gz MFBCWYSEHJEPEZ-CXAGYDPISA-N 0 0 333.884 5.088 40 0 EKABRN CC[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccccc1 ZINC000044948428 563928692 /nfs/dbraw/zinc/92/86/92/563928692.db2.gz MFBCWYSEHJEPEZ-GUYCJALGSA-N 0 0 333.884 5.088 40 0 EKABRN CC[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccccc1 ZINC000044948432 563928701 /nfs/dbraw/zinc/92/87/01/563928701.db2.gz MFBCWYSEHJEPEZ-SUMWQHHRSA-N 0 0 333.884 5.088 40 0 EKABRN CCSc1ccccc1NC(=O)CSCc1cc(C)cc(C)c1 ZINC000044948748 563928691 /nfs/dbraw/zinc/92/86/91/563928691.db2.gz LWRIYQMNCKBJII-UHFFFAOYSA-N 0 0 345.533 5.287 40 0 EKABRN O=C(c1cccc(Oc2ccccc2)c1)c1cnc2ccccc2c1 ZINC000045028945 564117884 /nfs/dbraw/zinc/11/78/84/564117884.db2.gz RPTOUYCHUZGVJX-UHFFFAOYSA-N 0 0 325.367 5.258 40 0 EKABRN O=C(c1ccc(Oc2ccccc2)cc1)c1cnc2ccccc2c1 ZINC000045028946 564117893 /nfs/dbraw/zinc/11/78/93/564117893.db2.gz PHUHYWAJBXEUOQ-UHFFFAOYSA-N 0 0 325.367 5.258 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/nfs/dbraw/zinc/09/09/61/564090961.db2.gz LVRPIAJPLSTWDM-UHFFFAOYSA-N 0 0 330.431 5.059 40 0 EKABRN CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)cc1 ZINC000045891595 564090998 /nfs/dbraw/zinc/09/09/98/564090998.db2.gz PBMWOBUHLOZIFX-UHFFFAOYSA-N 0 0 337.250 5.125 40 0 EKABRN Clc1cc(Cl)c(Br)c(-c2nc3ccccc3o2)c1 ZINC000045919889 564091043 /nfs/dbraw/zinc/09/10/43/564091043.db2.gz WUQBMDPCWIUNMN-UHFFFAOYSA-N 0 0 343.007 5.564 40 0 EKABRN Clc1cc(-c2nc3ccccc3o2)cc(Cl)c1Br ZINC000045919893 564091034 /nfs/dbraw/zinc/09/10/34/564091034.db2.gz IBCIMSIQSRUYCM-UHFFFAOYSA-N 0 0 343.007 5.564 40 0 EKABRN COc1c(Cl)cc(-c2nc3ccc(F)cc3s2)cc1Cl ZINC000045920048 213766411 /nfs/dbraw/zinc/76/64/11/213766411.db2.gz QSJOJOXTJOUWQL-UHFFFAOYSA-N 0 0 328.195 5.418 40 0 EKABRN Fc1ccc2nc(-c3cc(Br)ccc3Cl)sc2c1 ZINC000045920088 201104647 /nfs/dbraw/zinc/10/46/47/201104647.db2.gz PPCUGMOLKMLUDW-UHFFFAOYSA-N 0 0 342.620 5.518 40 0 EKABRN Fc1ccc2nc(-c3cc(Cl)c(Cl)c(Cl)c3)sc2c1 ZINC000045920124 564091048 /nfs/dbraw/zinc/09/10/48/564091048.db2.gz ZAHJKCBFFDBVKA-UHFFFAOYSA-N 0 0 332.614 6.063 40 0 EKABRN Fc1ccc2nc(-c3cc(Cl)cc(Cl)c3Cl)sc2c1 ZINC000045920128 564091024 /nfs/dbraw/zinc/09/10/24/564091024.db2.gz GMSXEWZAKJJPBV-UHFFFAOYSA-N 0 0 332.614 6.063 40 0 EKABRN COc1cc2nc(-c3ccc(C(C)C)cc3)oc2c(Br)c1 ZINC000045920236 201104862 /nfs/dbraw/zinc/10/48/62/201104862.db2.gz QKOJFSRNNKWIHY-UHFFFAOYSA-N 0 0 346.224 5.389 40 0 EKABRN Nc1c(Cl)cc(Cl)cc1-c1nc2c(cccc2Cl)s1 ZINC000045920762 564091075 /nfs/dbraw/zinc/09/10/75/564091075.db2.gz BKTDWYIYYLBXHD-UHFFFAOYSA-N 0 0 329.639 5.506 40 0 EKABRN Nc1c(Cl)cc(-c2nc3c(cccc3Cl)s2)cc1Cl ZINC000045920779 564091083 /nfs/dbraw/zinc/09/10/83/564091083.db2.gz IMYPZJLTJZYRCM-UHFFFAOYSA-N 0 0 329.639 5.506 40 0 EKABRN COc1c(Cl)cc(-c2nc3c(cccc3Cl)s2)cc1Cl ZINC000045920890 564091054 /nfs/dbraw/zinc/09/10/54/564091054.db2.gz BUKFNUIEQQHHFF-UHFFFAOYSA-N 0 0 344.650 5.932 40 0 EKABRN Clc1cccc2sc(-c3cccc4c(Cl)cccc34)nc21 ZINC000045920896 564091084 /nfs/dbraw/zinc/09/10/84/564091084.db2.gz FXJXCUKEAMGVNH-UHFFFAOYSA-N 0 0 330.239 6.423 40 0 EKABRN COc1ccc(-c2nc3ccc(C)cc3s2)cc1Br ZINC000045923479 564091082 /nfs/dbraw/zinc/09/10/82/564091082.db2.gz HVFSECFWXMSKPW-UHFFFAOYSA-N 0 0 334.238 5.043 40 0 EKABRN Cc1ccc2nc(-c3cc(Br)ccc3Cl)sc2c1 ZINC000045923482 564091064 /nfs/dbraw/zinc/09/10/64/564091064.db2.gz KUPRAJGONFDPEX-UHFFFAOYSA-N 0 0 338.657 5.688 40 0 EKABRN Cc1cccc2sc(-c3cc(Br)ccc3Cl)nc21 ZINC000045946782 213767948 /nfs/dbraw/zinc/76/79/48/213767948.db2.gz AEHHFOACPDKVMJ-UHFFFAOYSA-N 0 0 338.657 5.688 40 0 EKABRN COc1ccc(CNc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000045954082 564091012 /nfs/dbraw/zinc/09/10/12/564091012.db2.gz BLXQXPUEOILUQI-UHFFFAOYSA-N 0 0 330.387 5.116 40 0 EKABRN Clc1ccc(CNc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000045954085 213768711 /nfs/dbraw/zinc/76/87/11/213768711.db2.gz KPTODMXEVSEQBL-UHFFFAOYSA-N 0 0 334.806 5.760 40 0 EKABRN COc1ccc(CNc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000045954094 564091015 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564128537 /nfs/dbraw/zinc/12/85/37/564128537.db2.gz NJXVJUYFHYMTDB-LLVKDONJSA-N 0 0 340.275 5.421 40 0 EKABRN O=C(c1sc2cc(Cl)cc(Cl)c2c1Cl)N1CCCC1 ZINC000048389798 563987548 /nfs/dbraw/zinc/98/75/48/563987548.db2.gz MFIDFAMRGFKXLX-UHFFFAOYSA-N 0 0 334.655 5.098 40 0 EKABRN CCCC1CCC(c2ccc(I)cc2)CC1 ZINC000049588466 214021540 /nfs/dbraw/zinc/02/15/40/214021540.db2.gz QBYHVVBZXPJPKK-UHFFFAOYSA-N 0 0 328.237 5.365 40 0 EKABRN CCCCC1CCC(c2ccc(I)cc2)CC1 ZINC000049588468 214021318 /nfs/dbraw/zinc/02/13/18/214021318.db2.gz WSVCQFMWNNGAEB-UHFFFAOYSA-N 0 0 342.264 5.755 40 0 EKABRN CCCCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 ZINC000054644556 214247511 /nfs/dbraw/zinc/24/75/11/214247511.db2.gz HQMLZJCASIOPFB-UHFFFAOYSA-N 0 0 343.810 5.517 40 0 EKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2cc(Cl)ccc2o1 ZINC000054644578 214247935 /nfs/dbraw/zinc/24/79/35/214247935.db2.gz PNBMVQDVKKBESF-UHFFFAOYSA-N 0 0 340.593 5.645 40 0 EKABRN CCCOc1ccc(NCCC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000055142459 564132549 /nfs/dbraw/zinc/13/25/49/564132549.db2.gz OESIEEILVIMWSX-UHFFFAOYSA-N 0 0 341.495 5.063 40 0 EKABRN CCCCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1 ZINC000055161235 214281875 /nfs/dbraw/zinc/28/18/75/214281875.db2.gz NZXZINXFUSKTPH-UHFFFAOYSA-N 0 0 334.494 7.235 40 0 EKABRN CCCCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1 ZINC000055168501 563933902 /nfs/dbraw/zinc/93/39/02/563933902.db2.gz QMKGWSJTHAJNHZ-UHFFFAOYSA-N 0 0 346.489 7.455 40 0 EKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000057313212 564034773 /nfs/dbraw/zinc/03/47/73/564034773.db2.gz VXJJXJIVIBIBKE-UHFFFAOYSA-N 0 0 345.870 5.434 40 0 EKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC12CC3CC(CC(C3)C1)C2 ZINC000057313476 257851355 /nfs/dbraw/zinc/85/13/55/257851355.db2.gz WBANWIJYFYBONP-VQHVLOKHSA-N 0 0 347.458 5.045 40 0 EKABRN CCc1cccc(C)c1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000057315787 257853628 /nfs/dbraw/zinc/85/36/28/257853628.db2.gz FBNYZWSROGPDCV-FYWRMAATSA-N 0 0 331.415 5.469 40 0 EKABRN Cc1ccccc1NC(=O)C(C)(C)Oc1ccc(C(C)(C)C)cc1 ZINC000057315946 564034816 /nfs/dbraw/zinc/03/48/16/564034816.db2.gz WHUZAUPLXBZXNA-UHFFFAOYSA-N 0 0 325.452 5.089 40 0 EKABRN Cc1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000057316201 564034845 /nfs/dbraw/zinc/03/48/45/564034845.db2.gz NKJOAVDMEUFYKE-UHFFFAOYSA-N 0 0 325.452 5.089 40 0 EKABRN CCc1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000057316207 257853597 /nfs/dbraw/zinc/85/35/97/257853597.db2.gz DFBLARGAKYJPIM-UHFFFAOYSA-N 0 0 339.479 5.343 40 0 EKABRN CC(C)c1ccc2oc(-c3ccc(NC(=O)C(F)(F)F)cc3)nc2c1 ZINC000057316750 214418484 /nfs/dbraw/zinc/41/84/84/214418484.db2.gz AFUIJQICOJCQHT-UHFFFAOYSA-N 0 0 348.324 5.119 40 0 EKABRN Nc1cccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000057340171 564091523 /nfs/dbraw/zinc/09/15/23/564091523.db2.gz NGWKAPHEICFGJK-UHFFFAOYSA-N 0 0 337.231 5.043 40 0 EKABRN CCc1ccc2oc(-c3ccc(Br)c(Cl)c3)nc2c1 ZINC000057351578 564091549 /nfs/dbraw/zinc/09/15/49/564091549.db2.gz ODQXGPZZLDCTMA-UHFFFAOYSA-N 0 0 336.616 5.473 40 0 EKABRN Cc1cc2nc(-c3ccc(Br)c(Cl)c3)oc2cc1C ZINC000057351602 564091548 /nfs/dbraw/zinc/09/15/48/564091548.db2.gz QUMHVHMJJMCHLF-UHFFFAOYSA-N 0 0 336.616 5.528 40 0 EKABRN Cc1cc2nc(-c3ccc(Br)c(Cl)c3)oc2c(C)c1 ZINC000057351604 564091563 /nfs/dbraw/zinc/09/15/63/564091563.db2.gz XZSCDWLCDPWNOK-UHFFFAOYSA-N 0 0 336.616 5.528 40 0 EKABRN Cc1cc2nc(-c3ccc(F)c(Cl)c3)oc2c(Br)c1 ZINC000057351612 564091538 /nfs/dbraw/zinc/09/15/38/564091538.db2.gz KCNMVHGOEFFNIN-UHFFFAOYSA-N 0 0 340.579 5.358 40 0 EKABRN Clc1ccc2oc(-c3ccc(Br)c(Cl)c3)nc2c1 ZINC000057351620 564091536 /nfs/dbraw/zinc/09/15/36/564091536.db2.gz JQTKRZNGQMDAMM-UHFFFAOYSA-N 0 0 343.007 5.564 40 0 EKABRN Clc1ccc(Cc2nc3cccc(Cc4ccccc4)c3o2)cc1 ZINC000057352443 564091547 /nfs/dbraw/zinc/09/15/47/564091547.db2.gz MKCIZJQGYQHMLR-UHFFFAOYSA-N 0 0 333.818 5.663 40 0 EKABRN COc1ccc(-c2nc3cccc(Cc4ccccc4)c3o2)cc1OC ZINC000057352451 214421470 /nfs/dbraw/zinc/42/14/70/214421470.db2.gz DDVSDKQNMZSIOS-UHFFFAOYSA-N 0 0 345.398 5.103 40 0 EKABRN Nc1ccc(-c2nc3cccc(Cc4ccccc4)c3o2)c(Cl)c1 ZINC000057352773 564091597 /nfs/dbraw/zinc/09/15/97/564091597.db2.gz LXMUMOYIRGWKLW-UHFFFAOYSA-N 0 0 334.806 5.321 40 0 EKABRN Nc1ccc(-c2nc3cccc(Cc4ccccc4)c3o2)cc1Cl ZINC000057352774 564091596 /nfs/dbraw/zinc/09/15/96/564091596.db2.gz MASXJCHVDCUXPC-UHFFFAOYSA-N 0 0 334.806 5.321 40 0 EKABRN Nc1cc(-c2nc3cccc(Cc4ccccc4)c3o2)ccc1Cl ZINC000057352785 564091583 /nfs/dbraw/zinc/09/15/83/564091583.db2.gz VNMMFTREFDPKPO-UHFFFAOYSA-N 0 0 334.806 5.321 40 0 EKABRN Nc1ccc(Cl)c(-c2nc3cccc(Cc4ccccc4)c3o2)c1 ZINC000057352786 214421089 /nfs/dbraw/zinc/42/10/89/214421089.db2.gz FBBPNVDVTSSLDQ-UHFFFAOYSA-N 0 0 334.806 5.321 40 0 EKABRN CC(C)c1ccc(-c2nc3cccc(Cc4ccccc4)c3o2)cc1 ZINC000057352798 564091586 /nfs/dbraw/zinc/09/15/86/564091586.db2.gz QXPWQLOOXUKCPE-UHFFFAOYSA-N 0 0 327.427 6.209 40 0 EKABRN CC(C)(C)c1ccc(-c2nc3cccc(Cc4ccccc4)c3o2)cc1 ZINC000057352799 214421574 /nfs/dbraw/zinc/42/15/74/214421574.db2.gz PIGVAUBYVMATAI-UHFFFAOYSA-N 0 0 341.454 6.383 40 0 EKABRN c1ccc(Cc2cccc3nc(-c4cccc5ccccc54)oc32)cc1 ZINC000057352802 564091591 /nfs/dbraw/zinc/09/15/91/564091591.db2.gz FPHQCENKZKYTBU-UHFFFAOYSA-N 0 0 335.406 6.239 40 0 EKABRN CCOc1ccccc1-c1nnc(SCc2ccccc2Cl)o1 ZINC000057557559 564128564 /nfs/dbraw/zinc/12/85/64/564128564.db2.gz RPNMDQXKQCIYQC-UHFFFAOYSA-N 0 0 346.839 5.081 40 0 EKABRN Cc1ccc2cc(CNc3cc(Cl)ccc3Cl)c(=O)[nH]c2c1C ZINC000057577694 257853549 /nfs/dbraw/zinc/85/35/49/257853549.db2.gz QQBGBRBXZIBFBI-UHFFFAOYSA-N 0 0 347.245 5.064 40 0 EKABRN CCCc1ccc2[nH]c(=O)c(CNc3c(C)cc(C)cc3C)cc2c1 ZINC000057710075 214441366 /nfs/dbraw/zinc/44/13/66/214441366.db2.gz ARQZISRPNYFSLQ-UHFFFAOYSA-N 0 0 334.463 5.018 40 0 EKABRN Cc1ccc2[nH]c(=O)c(CNc3ccc(C4CCCCC4)cc3)cc2c1 ZINC000057710083 564035081 /nfs/dbraw/zinc/03/50/81/564035081.db2.gz QOHFSXYRMWZGDX-UHFFFAOYSA-N 0 0 346.474 5.496 40 0 EKABRN Cc1ccccc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000058564014 563946808 /nfs/dbraw/zinc/94/68/08/563946808.db2.gz JURKNPAKQJNUQT-UHFFFAOYSA-N 0 0 347.258 5.285 40 0 EKABRN O=C(CSCc1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1 ZINC000058824295 564050379 /nfs/dbraw/zinc/05/03/79/564050379.db2.gz ISPIMZIANKTFIF-UHFFFAOYSA-N 0 0 344.238 5.004 40 0 EKABRN Cc1cc(O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)ccc1Cl ZINC000058837591 563947277 /nfs/dbraw/zinc/94/72/77/563947277.db2.gz ALHVKDOXIXRVKU-HNNXBMFYSA-N 0 0 345.870 5.486 40 0 EKABRN Cc1cc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)ccc1Cl ZINC000058839964 563947265 /nfs/dbraw/zinc/94/72/65/563947265.db2.gz UFWHSNRQHWTXRW-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1cc(O[C@H](C)C(=O)Nc2cccc(Cl)c2C)ccc1Cl ZINC000058839966 563947248 /nfs/dbraw/zinc/94/72/48/563947248.db2.gz UFWHSNRQHWTXRW-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1Cl ZINC000058840006 563947244 /nfs/dbraw/zinc/94/72/44/563947244.db2.gz WUGHGXWZFHAUOG-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1Cl ZINC000058840008 563947267 /nfs/dbraw/zinc/94/72/67/563947267.db2.gz WUGHGXWZFHAUOG-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000058969715 563947474 /nfs/dbraw/zinc/94/74/74/563947474.db2.gz MDYCBJVCAUILFV-GOSISDBHSA-N 0 0 339.479 5.450 40 0 EKABRN CCCSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 ZINC000059041483 564084234 /nfs/dbraw/zinc/08/42/34/564084234.db2.gz GGSDJARUCWGCNW-UHFFFAOYSA-N 0 0 328.462 5.051 40 0 EKABRN CCn1c2ccccc2nc1SCc1ccc(Cl)c(Cl)c1 ZINC000059048836 564050394 /nfs/dbraw/zinc/05/03/94/564050394.db2.gz DRYSGUYJTJNHQK-UHFFFAOYSA-N 0 0 337.275 5.655 40 0 EKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1nc2ccccc2s1 ZINC000059055207 564050408 /nfs/dbraw/zinc/05/04/08/564050408.db2.gz CTJXXVHOOWEFCZ-ACCUITESSA-N 0 0 346.411 5.208 40 0 EKABRN CCOc1cc(CNc2ccc(C)cc2)ccc1OCc1ccccc1 ZINC000059055216 564050420 /nfs/dbraw/zinc/05/04/20/564050420.db2.gz YIJOGKDDTKCFEK-UHFFFAOYSA-N 0 0 347.458 5.585 40 0 EKABRN CCOc1cc(CNc2ccccc2C)ccc1OCc1ccccc1 ZINC000059055218 564050416 /nfs/dbraw/zinc/05/04/16/564050416.db2.gz KWMSYPNNFMIKBN-UHFFFAOYSA-N 0 0 347.458 5.585 40 0 EKABRN Cc1cccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1C ZINC000059181203 214615072 /nfs/dbraw/zinc/61/50/72/214615072.db2.gz DXKMCVSGVONBFD-UHFFFAOYSA-N 0 0 347.414 5.113 40 0 EKABRN Cc1sc(Nc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000059225646 564050483 /nfs/dbraw/zinc/05/04/83/564050483.db2.gz FWYGKMBSRMUHDG-UHFFFAOYSA-N 0 0 335.259 6.169 40 0 EKABRN CC(C)(C)CC(C)(C)NC(=O)/C(=C/c1ccccc1)c1ccccc1 ZINC000059240714 563947758 /nfs/dbraw/zinc/94/77/58/563947758.db2.gz LVXAYPOZNRVHFT-CAPFRKAQSA-N 0 0 335.491 5.558 40 0 EKABRN O=C(Nc1ccccc1Sc1ccccc1)c1ccc(Cl)cc1 ZINC000059241197 564050562 /nfs/dbraw/zinc/05/05/62/564050562.db2.gz GLKMDJWWTFFQHQ-UHFFFAOYSA-N 0 0 339.847 5.744 40 0 EKABRN Cc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1C ZINC000059241412 563947748 /nfs/dbraw/zinc/94/77/48/563947748.db2.gz UCOWHNSUOFYFCU-UHFFFAOYSA-N 0 0 333.456 5.707 40 0 EKABRN O=C(Cc1cccs1)Nc1ccccc1Sc1ccccc1 ZINC000059241561 214614721 /nfs/dbraw/zinc/61/47/21/214614721.db2.gz MLPCGSWBWSYEQM-UHFFFAOYSA-N 0 0 325.458 5.081 40 0 EKABRN Cc1ccc(CC(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000059241817 214614907 /nfs/dbraw/zinc/61/49/07/214614907.db2.gz ILFRCCGKUUAVSD-UHFFFAOYSA-N 0 0 333.456 5.327 40 0 EKABRN O=C(CCSc1ccccc1)Nc1cc(Cl)cc(Cl)c1 ZINC000059244593 564050542 /nfs/dbraw/zinc/05/05/42/564050542.db2.gz ZAAQKOACVROOHV-UHFFFAOYSA-N 0 0 326.248 5.114 40 0 EKABRN O=C(CCSc1ccc(Cl)cc1)NC1CCCCCCC1 ZINC000059290366 257850596 /nfs/dbraw/zinc/85/05/96/257850596.db2.gz KGIGYPOBNCUZDS-UHFFFAOYSA-N 0 0 325.905 5.051 40 0 EKABRN CC(C)(C)CC(C)(C)NC(=O)CCSc1ccc(Cl)cc1 ZINC000059291650 563947958 /nfs/dbraw/zinc/94/79/58/563947958.db2.gz IBTLIZUEJJSEMQ-UHFFFAOYSA-N 0 0 327.921 5.153 40 0 EKABRN C[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(C(C)(C)C)cc1 ZINC000059291951 563947959 /nfs/dbraw/zinc/94/79/59/563947959.db2.gz UGAZBFXYTMKETC-ZDUSSCGKSA-N 0 0 330.859 5.520 40 0 EKABRN C[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(C(C)(C)C)cc1 ZINC000059291953 214615879 /nfs/dbraw/zinc/61/58/79/214615879.db2.gz UGAZBFXYTMKETC-CYBMUJFWSA-N 0 0 330.859 5.520 40 0 EKABRN Cc1cc(C)c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c(C)c1 ZINC000059294439 564050571 /nfs/dbraw/zinc/05/05/71/564050571.db2.gz PFYMFXRESQFTFW-ZRDIBKRKSA-N 0 0 331.415 5.524 40 0 EKABRN Cc1ccc2c(cccc2NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000059294545 257850514 /nfs/dbraw/zinc/85/05/14/257850514.db2.gz NHRLTNAPKYMODA-UHFFFAOYSA-N 0 0 331.202 5.102 40 0 EKABRN C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000059297616 563947981 /nfs/dbraw/zinc/94/79/81/563947981.db2.gz ZGWFQGOJIXIGHQ-ZDUSSCGKSA-N 0 0 330.859 5.520 40 0 EKABRN C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000059297618 563947963 /nfs/dbraw/zinc/94/79/63/563947963.db2.gz ZGWFQGOJIXIGHQ-CYBMUJFWSA-N 0 0 330.859 5.520 40 0 EKABRN O=C(Nc1cccc(Cl)c1)Nc1ccccc1Oc1ccccc1 ZINC000059316096 563947977 /nfs/dbraw/zinc/94/79/77/563947977.db2.gz LQNBAMQDMNERMV-UHFFFAOYSA-N 0 0 338.794 5.776 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1C ZINC000059351129 563948036 /nfs/dbraw/zinc/94/80/36/563948036.db2.gz XUMLCRFYDPTTFO-GOSISDBHSA-N 0 0 329.443 5.461 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1C ZINC000059351130 563948084 /nfs/dbraw/zinc/94/80/84/563948084.db2.gz XUMLCRFYDPTTFO-SFHVURJKSA-N 0 0 329.443 5.461 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1C ZINC000059351162 563948041 /nfs/dbraw/zinc/94/80/41/563948041.db2.gz HWLPSQDQXJVWJT-PMXLPMHFSA-N 0 0 335.491 5.492 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1C ZINC000059351163 563948033 /nfs/dbraw/zinc/94/80/33/563948033.db2.gz HWLPSQDQXJVWJT-MDNBWPLSSA-N 0 0 335.491 5.492 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1C ZINC000059351170 563948097 /nfs/dbraw/zinc/94/80/97/563948097.db2.gz JWGBEJABSHEJQP-RCQQVGEISA-N 0 0 348.273 5.501 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1C ZINC000059351171 214616834 /nfs/dbraw/zinc/61/68/34/214616834.db2.gz JWGBEJABSHEJQP-KGXGESDWSA-N 0 0 348.273 5.501 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc32)cc1C ZINC000059351246 563948158 /nfs/dbraw/zinc/94/81/58/563948158.db2.gz JHBICFBJBOYAIG-QZTJIDSGSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc32)cc1C ZINC000059351247 563948163 /nfs/dbraw/zinc/94/81/63/563948163.db2.gz JHBICFBJBOYAIG-ZWKOTPCHSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc32)cc1C ZINC000059351248 563948145 /nfs/dbraw/zinc/94/81/45/563948145.db2.gz JHBICFBJBOYAIG-MSOLQXFVSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc32)cc1C ZINC000059351249 214617202 /nfs/dbraw/zinc/61/72/02/214617202.db2.gz JHBICFBJBOYAIG-ROUUACIJSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1C ZINC000059351250 563948162 /nfs/dbraw/zinc/94/81/62/563948162.db2.gz ATZASXVYCXVEPI-QZTJIDSGSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1C ZINC000059351251 563948155 /nfs/dbraw/zinc/94/81/55/563948155.db2.gz ATZASXVYCXVEPI-ZWKOTPCHSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1C ZINC000059351252 214616778 /nfs/dbraw/zinc/61/67/78/214616778.db2.gz ATZASXVYCXVEPI-MSOLQXFVSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1C ZINC000059351253 563948147 /nfs/dbraw/zinc/94/81/47/563948147.db2.gz ATZASXVYCXVEPI-ROUUACIJSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1C ZINC000059351268 214616701 /nfs/dbraw/zinc/61/67/01/214616701.db2.gz KJWWNSMJSDSLHM-QZTJIDSGSA-N 0 0 339.479 5.072 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1C ZINC000059351269 214616641 /nfs/dbraw/zinc/61/66/41/214616641.db2.gz KJWWNSMJSDSLHM-ZWKOTPCHSA-N 0 0 339.479 5.072 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1C ZINC000059351272 563948167 /nfs/dbraw/zinc/94/81/67/563948167.db2.gz KJWWNSMJSDSLHM-MSOLQXFVSA-N 0 0 339.479 5.072 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1C ZINC000059351275 563948152 /nfs/dbraw/zinc/94/81/52/563948152.db2.gz KJWWNSMJSDSLHM-ROUUACIJSA-N 0 0 339.479 5.072 40 0 EKABRN Cc1ccc(C)c([C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 ZINC000059351422 563948343 /nfs/dbraw/zinc/94/83/43/563948343.db2.gz LAWDIUIHHFGTEN-GPZRYRNASA-N 0 0 335.491 5.492 40 0 EKABRN Cc1ccc(C)c([C@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 ZINC000059351424 214616893 /nfs/dbraw/zinc/61/68/93/214616893.db2.gz LAWDIUIHHFGTEN-BJRSVTDJSA-N 0 0 335.491 5.492 40 0 EKABRN Cc1ccc(C)c([C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 ZINC000059351427 563948344 /nfs/dbraw/zinc/94/83/44/563948344.db2.gz OJTITRFMEVEOLP-RCQQVGEISA-N 0 0 348.273 5.501 40 0 EKABRN Cc1ccc(C)c([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 ZINC000059351428 563948351 /nfs/dbraw/zinc/94/83/51/563948351.db2.gz OJTITRFMEVEOLP-KGXGESDWSA-N 0 0 348.273 5.501 40 0 EKABRN Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc32)c1 ZINC000059351489 563948338 /nfs/dbraw/zinc/94/83/38/563948338.db2.gz RFGMRFPEVWSQIL-QZTJIDSGSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc32)c1 ZINC000059351490 563948337 /nfs/dbraw/zinc/94/83/37/563948337.db2.gz RFGMRFPEVWSQIL-ZWKOTPCHSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc32)c1 ZINC000059351492 563948335 /nfs/dbraw/zinc/94/83/35/563948335.db2.gz RFGMRFPEVWSQIL-MSOLQXFVSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc32)c1 ZINC000059351493 202776729 /nfs/dbraw/zinc/77/67/29/202776729.db2.gz RFGMRFPEVWSQIL-ROUUACIJSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 ZINC000059351494 563948428 /nfs/dbraw/zinc/94/84/28/563948428.db2.gz LXEFQHKDMFSZJQ-QZTJIDSGSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 ZINC000059351495 563948411 /nfs/dbraw/zinc/94/84/11/563948411.db2.gz LXEFQHKDMFSZJQ-ZWKOTPCHSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 ZINC000059351497 563948421 /nfs/dbraw/zinc/94/84/21/563948421.db2.gz LXEFQHKDMFSZJQ-MSOLQXFVSA-N 0 0 347.458 5.101 40 0 EKABRN Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 ZINC000059351499 563948418 /nfs/dbraw/zinc/94/84/18/563948418.db2.gz LXEFQHKDMFSZJQ-ROUUACIJSA-N 0 0 347.458 5.101 40 0 EKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H](CC)c1ccccc1 ZINC000059351716 563948520 /nfs/dbraw/zinc/94/85/20/563948520.db2.gz YKZWIDFKDRLUQT-LEWJYISDSA-N 0 0 347.458 5.265 40 0 EKABRN CC[C@@H](NC(=O)[C@@H](CC)Oc1cccc2ccccc21)c1ccccc1 ZINC000059351718 563948527 /nfs/dbraw/zinc/94/85/27/563948527.db2.gz YKZWIDFKDRLUQT-NHCUHLMSSA-N 0 0 347.458 5.265 40 0 EKABRN CC[C@H](NC(=O)[C@H](CC)Oc1cccc2ccccc21)c1ccccc1 ZINC000059351719 563948523 /nfs/dbraw/zinc/94/85/23/563948523.db2.gz YKZWIDFKDRLUQT-SFTDATJTSA-N 0 0 347.458 5.265 40 0 EKABRN CC[C@@H](NC(=O)[C@H](CC)Oc1cccc2ccccc21)c1ccccc1 ZINC000059351721 214617881 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O=C(Nc1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000059961015 257849531 /nfs/dbraw/zinc/84/95/31/257849531.db2.gz GGDYAMCNGAVXEA-UHFFFAOYSA-N 0 0 346.474 5.798 40 0 EKABRN O=C(CCc1ccccc1F)Nc1cc(C(F)(F)F)ccc1Cl ZINC000060514561 563950008 /nfs/dbraw/zinc/95/00/08/563950008.db2.gz OOFZXEFAHFTLFC-UHFFFAOYSA-N 0 0 345.723 5.069 40 0 EKABRN CC[C@H](NC(=O)c1ccccc1SC(C)C)c1ccc(OC)cc1 ZINC000060641059 563949993 /nfs/dbraw/zinc/94/99/93/563949993.db2.gz HWCXIMWOBIVLMJ-SFHVURJKSA-N 0 0 343.492 5.077 40 0 EKABRN O=C(CCc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000060866081 214650721 /nfs/dbraw/zinc/65/07/21/214650721.db2.gz MVYZTIZVUBQZRJ-UHFFFAOYSA-N 0 0 345.723 5.069 40 0 EKABRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC ZINC000064220090 563956692 /nfs/dbraw/zinc/95/66/92/563956692.db2.gz FYVTYELNLPIZCY-ZKWNWVNESA-N 0 0 332.528 6.695 40 0 EKABRN CCC/C=C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC ZINC000064220091 563956693 /nfs/dbraw/zinc/95/66/93/563956693.db2.gz HYDPWFDNDQSROZ-CWCCYZKOSA-N 0 0 330.512 6.471 40 0 EKABRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC/C=C/C(=O)OC ZINC000064220093 563956696 /nfs/dbraw/zinc/95/66/96/563956696.db2.gz PDCVCNURRHNQMX-GGRNPPCISA-N 0 0 344.539 6.861 40 0 EKABRN CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC/C=C/C(=O)OC ZINC000064220094 214779789 /nfs/dbraw/zinc/77/97/89/214779789.db2.gz NPKXDTONVDDGOH-CXSAKVLUSA-N 0 0 342.523 6.637 40 0 EKABRN CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000064622579 563956845 /nfs/dbraw/zinc/95/68/45/563956845.db2.gz QSHQKIURKJITMZ-OBUPQJQESA-N 0 0 330.600 7.472 40 0 in-vitro EKABRN CCCCN1c2ccccc2C(C(=O)c2cccc3ccccc32)C1=O ZINC000064857687 564117946 /nfs/dbraw/zinc/11/79/46/564117946.db2.gz HLQUZHWENOKGOT-UHFFFAOYSA-N 0 0 343.426 5.531 40 0 in-vitro EKABRN CC/C=C\C/C=C\C=C\[C@H](O)C/C=C\C/C=C\C/C=C\CCC(C)=O ZINC000064858168 214810523 /nfs/dbraw/zinc/81/05/23/214810523.db2.gz WOGJPWPLTMTIHQ-SSERTXIZSA-N 0 0 342.523 6.024 40 0 in-vitro EKABRN CC/C=C\C/C=C\C=C\[C@@H](O)C/C=C\C/C=C\C/C=C\CCC(C)=O ZINC000064858170 564134103 /nfs/dbraw/zinc/13/41/03/564134103.db2.gz WOGJPWPLTMTIHQ-UIFBBXMZSA-N 0 0 342.523 6.024 40 0 in-vitro EKABRN CCCCn1cc(C(=O)c2cccc3ccccc32)c2c1cccc2O ZINC000064858582 564134098 /nfs/dbraw/zinc/13/40/98/564134098.db2.gz DKIVMJXJKHHIRO-UHFFFAOYSA-N 0 0 343.426 5.531 40 0 in-vitro EKABRN CCCCn1cc(C(=O)c2cccc3ccccc32)c2cc(O)ccc21 ZINC000064858587 202819906 /nfs/dbraw/zinc/81/99/06/202819906.db2.gz JZGAGMUTAYXMMJ-UHFFFAOYSA-N 0 0 343.426 5.531 40 0 in-vitro EKABRN CCCCn1cc(C(=O)c2cccc3ccccc32)c2ccc(O)cc21 ZINC000064858591 564134087 /nfs/dbraw/zinc/13/40/87/564134087.db2.gz MDXHTLBJLOYLRK-UHFFFAOYSA-N 0 0 343.426 5.531 40 0 in-vitro EKABRN CCCCn1cc(C(=O)c2cccc3ccccc32)c2cccc(O)c21 ZINC000064858592 564134115 /nfs/dbraw/zinc/13/41/15/564134115.db2.gz RERSSQCTZKUWMM-UHFFFAOYSA-N 0 0 343.426 5.531 40 0 in-vitro EKABRN CC(C)CCn1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000064859454 564134095 /nfs/dbraw/zinc/13/40/95/564134095.db2.gz BBNUROBSKAJPGN-UHFFFAOYSA-N 0 0 341.454 6.072 40 0 in-vitro EKABRN CC[C@@H](C)Cn1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000064859514 564134096 /nfs/dbraw/zinc/13/40/96/564134096.db2.gz VPSRJWNBSBKXAR-QGZVFWFLSA-N 0 0 341.454 6.072 40 0 in-vitro EKABRN CC[C@H](C)Cn1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000064859517 214810184 /nfs/dbraw/zinc/81/01/84/214810184.db2.gz VPSRJWNBSBKXAR-KRWDZBQOSA-N 0 0 341.454 6.072 40 0 in-vitro EKABRN CC(C)CCn1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000064859628 564134093 /nfs/dbraw/zinc/13/40/93/564134093.db2.gz ZWFPDRGTGCRWBF-UHFFFAOYSA-N 0 0 341.454 6.072 40 0 in-vitro EKABRN CCCCn1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000064859630 564134089 /nfs/dbraw/zinc/13/40/89/564134089.db2.gz LCZKNUDVFMMPPZ-UHFFFAOYSA-N 0 0 327.427 5.826 40 0 in-vitro EKABRN CCC[C@@H](C)n1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000064859634 564134108 /nfs/dbraw/zinc/13/41/08/564134108.db2.gz PYSUCFNXILFYSH-QGZVFWFLSA-N 0 0 341.454 6.387 40 0 in-vitro EKABRN CCC[C@H](C)n1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000064859635 564134091 /nfs/dbraw/zinc/13/40/91/564134091.db2.gz PYSUCFNXILFYSH-KRWDZBQOSA-N 0 0 341.454 6.387 40 0 in-vitro EKABRN CCC[C@@H](C)n1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000064859640 564134105 /nfs/dbraw/zinc/13/41/05/564134105.db2.gz KTHPRMCSIRQVGE-QGZVFWFLSA-N 0 0 341.454 6.387 40 0 in-vitro EKABRN CCC[C@H](C)n1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000064859643 564134088 /nfs/dbraw/zinc/13/40/88/564134088.db2.gz KTHPRMCSIRQVGE-KRWDZBQOSA-N 0 0 341.454 6.387 40 0 in-vitro EKABRN CC(C)Cn1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000064859648 214810971 /nfs/dbraw/zinc/81/09/71/214810971.db2.gz XNFHBVYEKFAQLX-UHFFFAOYSA-N 0 0 327.427 5.682 40 0 in-vitro EKABRN CC(C)Cn1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000064859654 564134116 /nfs/dbraw/zinc/13/41/16/564134116.db2.gz SUFNWJKOGPQPRZ-UHFFFAOYSA-N 0 0 327.427 5.682 40 0 in-vitro EKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)ccc1Cl ZINC000064982235 563957245 /nfs/dbraw/zinc/95/72/45/563957245.db2.gz CPNDSRKJVJYTAO-AWEZNQCLSA-N 0 0 331.843 5.178 40 0 EKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)ccc1Cl ZINC000064982236 563957286 /nfs/dbraw/zinc/95/72/86/563957286.db2.gz CPNDSRKJVJYTAO-CQSZACIVSA-N 0 0 331.843 5.178 40 0 EKABRN CCCCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 ZINC000064982237 563957258 /nfs/dbraw/zinc/95/72/58/563957258.db2.gz MRMIOZHJLOZVLQ-OAHLLOKOSA-N 0 0 345.870 5.397 40 0 EKABRN CCCCc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 ZINC000064982238 214820552 /nfs/dbraw/zinc/82/05/52/214820552.db2.gz MRMIOZHJLOZVLQ-HNNXBMFYSA-N 0 0 345.870 5.397 40 0 EKABRN Cc1cc(O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)ccc1Cl ZINC000064982243 563957248 /nfs/dbraw/zinc/95/72/48/563957248.db2.gz ALHVKDOXIXRVKU-OAHLLOKOSA-N 0 0 345.870 5.486 40 0 EKABRN CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000064982244 563957274 /nfs/dbraw/zinc/95/72/74/563957274.db2.gz ZTDORIJSERTLCZ-CQSZACIVSA-N 0 0 345.870 5.179 40 0 EKABRN CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000064982245 563957288 /nfs/dbraw/zinc/95/72/88/563957288.db2.gz ZTDORIJSERTLCZ-AWEZNQCLSA-N 0 0 345.870 5.179 40 0 EKABRN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000064982288 214819995 /nfs/dbraw/zinc/81/99/95/214819995.db2.gz HZCHYNIZYQSEQL-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000064982289 563957247 /nfs/dbraw/zinc/95/72/47/563957247.db2.gz HZCHYNIZYQSEQL-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)ccc1Cl ZINC000064982319 214819847 /nfs/dbraw/zinc/81/98/47/214819847.db2.gz VPYROCGWMMATMM-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C)ccc1Cl ZINC000064982320 563957265 /nfs/dbraw/zinc/95/72/65/563957265.db2.gz VPYROCGWMMATMM-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C ZINC000064982599 564051073 /nfs/dbraw/zinc/05/10/73/564051073.db2.gz IVDJGPQCPUKEJU-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C ZINC000064982600 564051065 /nfs/dbraw/zinc/05/10/65/564051065.db2.gz IVDJGPQCPUKEJU-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)c(C)c1 ZINC000064982925 564051074 /nfs/dbraw/zinc/05/10/74/564051074.db2.gz ZZRQLYZAWWXYJT-KRWDZBQOSA-N 0 0 325.452 5.141 40 0 EKABRN Cc1ccc(O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)c(C)c1 ZINC000064982926 564051048 /nfs/dbraw/zinc/05/10/48/564051048.db2.gz ZZRQLYZAWWXYJT-QGZVFWFLSA-N 0 0 325.452 5.141 40 0 EKABRN Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1 ZINC000064982955 257849570 /nfs/dbraw/zinc/84/95/70/257849570.db2.gz YZLIXPHPJIRRQP-LBPRGKRZSA-N 0 0 338.234 5.016 40 0 EKABRN Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1 ZINC000064982956 564051069 /nfs/dbraw/zinc/05/10/69/564051069.db2.gz YZLIXPHPJIRRQP-GFCCVEGCSA-N 0 0 338.234 5.016 40 0 EKABRN CCCCN1C(=O)CC[C@@H](Sc2ccccc2)[C@H]1c1ccccc1 ZINC000065090590 563957984 /nfs/dbraw/zinc/95/79/84/563957984.db2.gz WHLHRHFMMSWCOI-TZIWHRDSSA-N 0 0 339.504 5.311 40 0 EKABRN CCCCN1C(=O)CC[C@@H](Sc2ccccc2)[C@@H]1c1ccccc1 ZINC000065090591 214827843 /nfs/dbraw/zinc/82/78/43/214827843.db2.gz WHLHRHFMMSWCOI-CTNGQTDRSA-N 0 0 339.504 5.311 40 0 EKABRN CCCCN1C(=O)CC[C@H](Sc2ccccc2)[C@H]1c1ccccc1 ZINC000065090593 563957985 /nfs/dbraw/zinc/95/79/85/563957985.db2.gz WHLHRHFMMSWCOI-PZJWPPBQSA-N 0 0 339.504 5.311 40 0 EKABRN CCCCN1C(=O)CC[C@H](Sc2ccccc2)[C@@H]1c1ccccc1 ZINC000065090594 563957961 /nfs/dbraw/zinc/95/79/61/563957961.db2.gz WHLHRHFMMSWCOI-FPOVZHCZSA-N 0 0 339.504 5.311 40 0 EKABRN CCCCc1cc(Br)c(Cl)c(Br)c1 ZINC000065356422 564066762 /nfs/dbraw/zinc/06/67/62/564066762.db2.gz RQZFXDPBTJLGHN-UHFFFAOYSA-N 0 0 326.459 5.208 40 0 EKABRN Clc1cc(Cl)c(Br)c(Br)c1Cl ZINC000065356626 214874064 /nfs/dbraw/zinc/87/40/64/214874064.db2.gz YOFIECALMKRAOZ-UHFFFAOYSA-N 0 0 339.241 5.172 40 0 EKABRN Cc1ccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)c(C)c1 ZINC000066012437 563962147 /nfs/dbraw/zinc/96/21/47/563962147.db2.gz MJJXQXKYNFAHSM-QGZVFWFLSA-N 0 0 340.536 5.346 40 0 EKABRN Cc1ccc(C)c(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)c1 ZINC000066012438 215002797 /nfs/dbraw/zinc/00/27/97/215002797.db2.gz LOPWRGZLHIMWOX-QGZVFWFLSA-N 0 0 340.536 5.346 40 0 EKABRN C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccccc1Cl ZINC000066012454 215003198 /nfs/dbraw/zinc/00/31/98/215003198.db2.gz QUQPRODNOZRZFN-CQSZACIVSA-N 0 0 346.927 5.383 40 0 EKABRN Cc1ccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)cc1 ZINC000066012456 215002831 /nfs/dbraw/zinc/00/28/31/215002831.db2.gz ORYVVEDZAUYRMC-INIZCTEOSA-N 0 0 326.509 5.038 40 0 EKABRN C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(F)cc1F ZINC000066012465 202876700 /nfs/dbraw/zinc/87/67/00/202876700.db2.gz GFDRKMNSMKJIEO-CYBMUJFWSA-N 0 0 348.462 5.008 40 0 EKABRN Cc1cccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)c1 ZINC000066012467 215003289 /nfs/dbraw/zinc/00/32/89/215003289.db2.gz NXMMWWYTDDCJEV-INIZCTEOSA-N 0 0 326.509 5.038 40 0 EKABRN FC(F)=C(c1ccc(F)cc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000066055350 215004259 /nfs/dbraw/zinc/00/42/59/215004259.db2.gz AETIPTNWIBIRGN-UHFFFAOYSA-N 0 0 328.308 6.288 40 0 EKABRN CCCOc1cccc(CNc2ccc(Oc3ccccc3)cc2)c1 ZINC000066154984 564051085 /nfs/dbraw/zinc/05/10/85/564051085.db2.gz NYKPWBHJPXUPPI-UHFFFAOYSA-N 0 0 333.431 5.880 40 0 EKABRN O=C(CNc1cccc2ccccc21)Nc1ccc(Cl)c(Cl)c1 ZINC000066191042 257849498 /nfs/dbraw/zinc/84/94/98/257849498.db2.gz AJCGETNZNFJZTG-UHFFFAOYSA-N 0 0 345.229 5.197 40 0 EKABRN CCC1CCC(CCC2CCC(c3ccc(F)c(F)c3)CC2)CC1 ZINC000066351931 215035308 /nfs/dbraw/zinc/03/53/08/215035308.db2.gz KYYJIBTUSXSVOK-UHFFFAOYSA-N 0 0 334.494 7.235 40 0 EKABRN CCCCCC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1 ZINC000066351967 215035913 /nfs/dbraw/zinc/03/59/13/215035913.db2.gz CYJOKSKCHPPDMU-UHFFFAOYSA-N 0 0 330.531 7.486 40 0 EKABRN C(=C\c1ccc(-c2ccccc2)cc1)\c1ccc(-c2ccccc2)cc1 ZINC000066377907 202885420 /nfs/dbraw/zinc/88/54/20/202885420.db2.gz HXWQJYVUJPBQEW-QXMHVHEDSA-N 0 0 332.446 7.191 40 0 EKABRN c1ccc(CSc2nsc(SCc3ccccc3)n2)cc1 ZINC000068675241 215327054 /nfs/dbraw/zinc/32/70/54/215327054.db2.gz WKBGIDNQDLSFSF-UHFFFAOYSA-N 0 0 330.503 5.123 40 0 EKABRN Clc1ccc(Cl)c(OCc2ccc(Br)cc2)c1 ZINC000070131384 563963862 /nfs/dbraw/zinc/96/38/62/563963862.db2.gz QEGKKBALYHBYBV-UHFFFAOYSA-N 0 0 332.024 5.335 40 0 EKABRN Clc1ccc(Cl)c(OCc2ccccc2Br)c1 ZINC000070131388 203072958 /nfs/dbraw/zinc/07/29/58/203072958.db2.gz WEHSNDYOHLSUER-UHFFFAOYSA-N 0 0 332.024 5.335 40 0 EKABRN Clc1ccc(Cl)c(OCc2cccc(Br)c2)c1 ZINC000070131396 563963839 /nfs/dbraw/zinc/96/38/39/563963839.db2.gz CNFNDYTVWBXMRJ-UHFFFAOYSA-N 0 0 332.024 5.335 40 0 EKABRN Brc1ccc(CSc2ccc3ccccc3c2)cc1 ZINC000070131776 563920098 /nfs/dbraw/zinc/92/00/98/563920098.db2.gz CHUWHQSNDCENLU-UHFFFAOYSA-N 0 0 329.262 5.895 40 0 EKABRN Fc1cc(Br)ccc1CSc1ccc(Cl)cc1 ZINC000070132745 563963850 /nfs/dbraw/zinc/96/38/50/563963850.db2.gz WGLOFNLJRYOVLO-UHFFFAOYSA-N 0 0 331.637 5.534 40 0 EKABRN Clc1ccc(OCc2ccc(Br)cc2)cc1Cl ZINC000070133480 563963846 /nfs/dbraw/zinc/96/38/46/563963846.db2.gz KCXOGHBDLRVKCA-UHFFFAOYSA-N 0 0 332.024 5.335 40 0 EKABRN Clc1cccc(OCc2ccc(Br)cc2)c1Cl ZINC000070133513 203074020 /nfs/dbraw/zinc/07/40/20/203074020.db2.gz RRBFUCJNBORCCJ-UHFFFAOYSA-N 0 0 332.024 5.335 40 0 EKABRN Clc1cc(Cl)cc(OCc2ccc(Br)cc2)c1 ZINC000070133856 563963878 /nfs/dbraw/zinc/96/38/78/563963878.db2.gz QSBRDEVELCSULP-UHFFFAOYSA-N 0 0 332.024 5.335 40 0 EKABRN Clc1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000070133952 203074093 /nfs/dbraw/zinc/07/40/93/203074093.db2.gz BEZRPCXXOSWFOO-UHFFFAOYSA-N 0 0 332.024 5.335 40 0 EKABRN CCCC[C@@H](CC)CNC(=O)c1cc(Br)ccc1Cl ZINC000070134273 215675935 /nfs/dbraw/zinc/67/59/35/215675935.db2.gz ZZCZVZPPTXXQLC-LLVKDONJSA-N 0 0 346.696 5.049 40 0 EKABRN CCCC[C@H](CC)CNC(=O)c1cc(Br)ccc1Cl ZINC000070134274 563963851 /nfs/dbraw/zinc/96/38/51/563963851.db2.gz ZZCZVZPPTXXQLC-NSHDSACASA-N 0 0 346.696 5.049 40 0 EKABRN Clc1cccc(Cl)c1OCc1ccc(Br)cc1 ZINC000070135949 563963847 /nfs/dbraw/zinc/96/38/47/563963847.db2.gz DVUZNIKXWLNXEA-UHFFFAOYSA-N 0 0 332.024 5.335 40 0 EKABRN Clc1ccc(OCc2ccccc2Br)c(Cl)c1 ZINC000070136048 203074393 /nfs/dbraw/zinc/07/43/93/203074393.db2.gz UNZRUOJDOMOREJ-UHFFFAOYSA-N 0 0 332.024 5.335 40 0 EKABRN Clc1ccc(OCc2ccccc2Br)cc1Cl ZINC000070136057 563963868 /nfs/dbraw/zinc/96/38/68/563963868.db2.gz AKEFVLWOHWEOJB-UHFFFAOYSA-N 0 0 332.024 5.335 40 0 EKABRN Clc1cccc(OCc2ccccc2Br)c1Cl ZINC000070136061 563963875 /nfs/dbraw/zinc/96/38/75/563963875.db2.gz OTYUFFZTMZGXAQ-UHFFFAOYSA-N 0 0 332.024 5.335 40 0 EKABRN Clc1cccc(Cl)c1OCc1ccccc1Br ZINC000070136076 563963865 /nfs/dbraw/zinc/96/38/65/563963865.db2.gz DTZHPBYBHUPGJH-UHFFFAOYSA-N 0 0 332.024 5.335 40 0 EKABRN Clc1ccc(OCc2cccc(Br)c2)c(Cl)c1 ZINC000070136087 563963889 /nfs/dbraw/zinc/96/38/89/563963889.db2.gz FQVYDPYIJQFEIC-UHFFFAOYSA-N 0 0 332.024 5.335 40 0 EKABRN Clc1ccc(OCc2cccc(Br)c2)cc1Cl ZINC000070136096 563963900 /nfs/dbraw/zinc/96/39/00/563963900.db2.gz MRUDMBPZADOZBR-UHFFFAOYSA-N 0 0 332.024 5.335 40 0 EKABRN Clc1cccc(OCc2cccc(Br)c2)c1Cl ZINC000070136100 563963901 /nfs/dbraw/zinc/96/39/01/563963901.db2.gz BSGOYLWSDIBPTH-UHFFFAOYSA-N 0 0 332.024 5.335 40 0 EKABRN Clc1cccc(Cl)c1OCc1cccc(Br)c1 ZINC000070136127 215677307 /nfs/dbraw/zinc/67/73/07/215677307.db2.gz QNAOIFYUSVVUCH-UHFFFAOYSA-N 0 0 332.024 5.335 40 0 EKABRN Clc1cc(Cl)cc(OCc2ccccc2Br)c1 ZINC000070136173 563963910 /nfs/dbraw/zinc/96/39/10/563963910.db2.gz AUKYUFOIVYUHHF-UHFFFAOYSA-N 0 0 332.024 5.335 40 0 EKABRN Clc1cc(Cl)cc(OCc2cccc(Br)c2)c1 ZINC000070136174 563963897 /nfs/dbraw/zinc/96/38/97/563963897.db2.gz SDSMKRJSOBEKBQ-UHFFFAOYSA-N 0 0 332.024 5.335 40 0 EKABRN Fc1ccc(SCc2ccc(Br)cc2F)cc1F ZINC000070137816 215677518 /nfs/dbraw/zinc/67/75/18/215677518.db2.gz OJLNDDAYLTYINO-UHFFFAOYSA-N 0 0 333.172 5.159 40 0 EKABRN Oc1ccc(CNc2ccc(Cl)cc2Cl)cc1Br ZINC000070138219 563920156 /nfs/dbraw/zinc/92/01/56/563920156.db2.gz ISHSFVRCIVQKLI-UHFFFAOYSA-N 0 0 347.039 5.074 40 0 EKABRN CCCOc1cccc(CNc2ccc(Br)cc2C)c1 ZINC000070138221 563920171 /nfs/dbraw/zinc/92/01/71/563920171.db2.gz UCQNQHAXPTVVDL-UHFFFAOYSA-N 0 0 334.257 5.158 40 0 EKABRN Cc1cc(N)cc2nc(-c3cc(Cl)c(Cl)c(Cl)c3)oc21 ZINC000070461476 215697426 /nfs/dbraw/zinc/69/74/26/215697426.db2.gz GCVUTSZJALYUFW-UHFFFAOYSA-N 0 0 327.598 5.346 40 0 EKABRN Cc1cc2nc(-c3cc(Br)ccc3Cl)[nH]c2cc1C ZINC000070461585 202335812 /nfs/dbraw/zinc/33/58/12/202335812.db2.gz WFQPQFRXROBUKV-UHFFFAOYSA-N 0 0 335.632 5.263 40 0 EKABRN Clc1ccc2oc(-c3ccc(NCc4ccccc4)cc3)nc2c1 ZINC000070461602 564063613 /nfs/dbraw/zinc/06/36/13/564063613.db2.gz NQBOHDCNOZISPN-UHFFFAOYSA-N 0 0 334.806 5.760 40 0 EKABRN CCCCCC(=O)Nc1cc(C)c(O)c(-c2nc3ccccc3o2)c1 ZINC000070462008 564063607 /nfs/dbraw/zinc/06/36/07/564063607.db2.gz HTNLXTOFHMFMIS-UHFFFAOYSA-N 0 0 338.407 5.028 40 0 EKABRN CCCC(=O)Nc1ccc(O)c(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000070462017 564063596 /nfs/dbraw/zinc/06/35/96/564063596.db2.gz RWQLXAQUVXAQLX-UHFFFAOYSA-N 0 0 338.407 5.062 40 0 EKABRN CCCCCC(=O)Nc1ccc(O)c(-c2nc3cc(C)ccc3o2)c1 ZINC000070462024 564063638 /nfs/dbraw/zinc/06/36/38/564063638.db2.gz GZLUECGMDLNSFZ-UHFFFAOYSA-N 0 0 338.407 5.028 40 0 EKABRN CCCC(=O)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)c(O)c1 ZINC000070462040 564063616 /nfs/dbraw/zinc/06/36/16/564063616.db2.gz VWWWCFZVEPBQCK-UHFFFAOYSA-N 0 0 338.407 5.062 40 0 EKABRN CCCCCC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)c(O)c1 ZINC000070462047 564063623 /nfs/dbraw/zinc/06/36/23/564063623.db2.gz UBAPAZSCLDCFAO-UHFFFAOYSA-N 0 0 338.407 5.028 40 0 EKABRN Clc1c(Br)cc(-c2ccccc2)cc1Br ZINC000070462181 564063629 /nfs/dbraw/zinc/06/36/29/564063629.db2.gz DXHCSUVLDTUORI-UHFFFAOYSA-N 0 0 346.449 5.532 40 0 EKABRN Cc1cc2[nH]c(-c3ccc(Br)c(Cl)c3)nc2c(C)c1 ZINC000070462774 564063689 /nfs/dbraw/zinc/06/36/89/564063689.db2.gz ZDVVELCTTSIXCV-UHFFFAOYSA-N 0 0 335.632 5.263 40 0 EKABRN Cc1cc2[nH]c(-c3cc(Br)ccc3Cl)nc2c(C)c1 ZINC000070462776 564063683 /nfs/dbraw/zinc/06/36/83/564063683.db2.gz MPZYCHVXKGDKSB-UHFFFAOYSA-N 0 0 335.632 5.263 40 0 EKABRN Cc1cc2[nH]c(-c3cc(Cl)c(Cl)c(Cl)c3)nc2c(C)c1 ZINC000070462778 564063663 /nfs/dbraw/zinc/06/36/63/564063663.db2.gz PXAMMLWFVSHYAQ-UHFFFAOYSA-N 0 0 325.626 5.807 40 0 EKABRN C[C@H](Sc1ccccc1)C(=O)Nc1c(Cl)cccc1Cl ZINC000070717891 563920538 /nfs/dbraw/zinc/92/05/38/563920538.db2.gz MRYAQYWAZAPSDU-JTQLQIEISA-N 0 0 326.248 5.113 40 0 EKABRN C[C@@H](Sc1ccccc1)C(=O)Nc1c(Cl)cccc1Cl ZINC000070717892 257849418 /nfs/dbraw/zinc/84/94/18/257849418.db2.gz MRYAQYWAZAPSDU-SNVBAGLBSA-N 0 0 326.248 5.113 40 0 EKABRN Cc1cc(-c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)on1 ZINC000071195158 564176387 /nfs/dbraw/zinc/17/63/87/564176387.db2.gz DDBBKSAQWTVXAP-UHFFFAOYSA-N 0 0 335.794 5.156 40 0 EKABRN CCc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(C)no2)cc1 ZINC000071195168 564176365 /nfs/dbraw/zinc/17/63/65/564176365.db2.gz RMGRYOJUFRZWDV-UHFFFAOYSA-N 0 0 329.403 5.065 40 0 EKABRN Cc1nnc(SCc2ccc3ccccc3c2)n1-c1ccccc1 ZINC000071234724 564128642 /nfs/dbraw/zinc/12/86/42/564128642.db2.gz BXQIFIGHWYRCAE-UHFFFAOYSA-N 0 0 331.444 5.021 40 0 EKABRN Ic1cccc2cccc(-c3ccccc3)c12 ZINC000071256598 563964045 /nfs/dbraw/zinc/96/40/45/563964045.db2.gz JKEOWGMQYOZBTL-UHFFFAOYSA-N 0 0 330.168 5.111 40 0 EKABRN Clc1cc2cc(Cl)c(Cl)c(Cl)c2c(Cl)c1Cl ZINC000071256930 563964060 /nfs/dbraw/zinc/96/40/60/563964060.db2.gz WJYZNPLWZGYFIE-UHFFFAOYSA-N 0 0 334.844 6.760 40 0 EKABRN Brc1ccc(Oc2ccccc2)cc1Br ZINC000071256932 563964071 /nfs/dbraw/zinc/96/40/71/563964071.db2.gz SUUJFDKVPDCZQZ-UHFFFAOYSA-N 0 0 328.003 5.004 40 0 EKABRN CC(C)=CCC[C@]1(C)C=Cc2c3c(ccc2O1)c1cc(C)ccc1n3C ZINC000071404305 203093630 /nfs/dbraw/zinc/09/36/30/203093630.db2.gz YMQADICNUQAIOQ-XMMPIXPASA-N 0 0 345.486 6.551 40 0 biogenic,in-vitro EKABRN CC(C)=CCC[C@@]1(C)C=Cc2c3c(ccc2O1)c1cc(C)ccc1n3C ZINC000071404306 563964280 /nfs/dbraw/zinc/96/42/80/563964280.db2.gz YMQADICNUQAIOQ-DEOSSOPVSA-N 0 0 345.486 6.551 40 0 biogenic,in-vitro EKABRN CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC ZINC000071404817 564175002 /nfs/dbraw/zinc/17/50/02/564175002.db2.gz VWHAHPVYEMPWTO-JEBPEJKESA-N 0 0 330.512 6.471 40 0 in-vitro EKABRN CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCC(=O)OC ZINC000071404818 215769040 /nfs/dbraw/zinc/76/90/40/215769040.db2.gz VCDLWFYODNTQOT-PDKRSARISA-N 0 0 342.523 6.637 40 0 EKABRN CCc1ccc(NC(=O)CSCc2cccc3ccccc32)cc1 ZINC000071433353 563920750 /nfs/dbraw/zinc/92/07/50/563920750.db2.gz ZJPSMEPCKUEHLD-UHFFFAOYSA-N 0 0 335.472 5.274 40 0 EKABRN CC(C)(C)Cn1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000071746259 563982943 /nfs/dbraw/zinc/98/29/43/563982943.db2.gz VAWLMOLQJCGJAZ-UHFFFAOYSA-N 0 0 341.454 6.072 40 0 in-vitro EKABRN CC(C)(C)Cn1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000071746260 563982948 /nfs/dbraw/zinc/98/29/48/563982948.db2.gz YWXMWOJAWGFMJQ-UHFFFAOYSA-N 0 0 341.454 6.072 40 0 in-vitro EKABRN CC[C@@H](C)n1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000071746261 203105178 /nfs/dbraw/zinc/10/51/78/203105178.db2.gz DFTLLFXLJMPATM-MRXNPFEDSA-N 0 0 327.427 5.997 40 0 in-vitro EKABRN CC[C@H](C)n1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000071746262 563982947 /nfs/dbraw/zinc/98/29/47/563982947.db2.gz DFTLLFXLJMPATM-INIZCTEOSA-N 0 0 327.427 5.997 40 0 in-vitro EKABRN CC[C@@H](C)n1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000071746263 563982930 /nfs/dbraw/zinc/98/29/30/563982930.db2.gz OBSPBKZYVSXTKV-MRXNPFEDSA-N 0 0 327.427 5.997 40 0 in-vitro EKABRN CC[C@H](C)n1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000071746264 563982937 /nfs/dbraw/zinc/98/29/37/563982937.db2.gz OBSPBKZYVSXTKV-INIZCTEOSA-N 0 0 327.427 5.997 40 0 in-vitro EKABRN CCCCCn1cc(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000071746268 563982932 /nfs/dbraw/zinc/98/29/32/563982932.db2.gz SHWDYCMMUPPWQM-UHFFFAOYSA-N 0 0 349.518 6.231 40 0 in-vitro EKABRN CCCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21 ZINC000071746290 203104911 /nfs/dbraw/zinc/10/49/11/203104911.db2.gz DOKBVCMQPGKQGV-UHFFFAOYSA-N 0 0 341.454 6.134 40 0 in-vitro EKABRN CC(C)[C@@H](C)n1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000071746303 563982949 /nfs/dbraw/zinc/98/29/49/563982949.db2.gz JERJAAHYNIGGSX-QGZVFWFLSA-N 0 0 341.454 6.243 40 0 in-vitro EKABRN CC(C)[C@H](C)n1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000071746304 203105082 /nfs/dbraw/zinc/10/50/82/203105082.db2.gz JERJAAHYNIGGSX-KRWDZBQOSA-N 0 0 341.454 6.243 40 0 in-vitro EKABRN CCCCn1cc(C(=O)c2c(C)ccc3ccccc32)c2ccccc21 ZINC000071746305 203105007 /nfs/dbraw/zinc/10/50/07/203105007.db2.gz DRPAIIWSIJRPFH-UHFFFAOYSA-N 0 0 341.454 6.134 40 0 in-vitro EKABRN CC(C)[C@@H](C)n1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000071746309 215801921 /nfs/dbraw/zinc/80/19/21/215801921.db2.gz WMDLKBSZYZXZFI-QGZVFWFLSA-N 0 0 341.454 6.243 40 0 in-vitro EKABRN CC(C)[C@H](C)n1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000071746310 563982938 /nfs/dbraw/zinc/98/29/38/563982938.db2.gz WMDLKBSZYZXZFI-KRWDZBQOSA-N 0 0 341.454 6.243 40 0 in-vitro EKABRN CCC(C)(C)n1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000071746329 563982935 /nfs/dbraw/zinc/98/29/35/563982935.db2.gz RAHXKESFWHOCTB-UHFFFAOYSA-N 0 0 341.454 6.171 40 0 in-vitro EKABRN Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)p2)cc1 ZINC000071775217 563965712 /nfs/dbraw/zinc/96/57/12/563965712.db2.gz PFBRCDGBRFKWBB-UHFFFAOYSA-N 0 0 338.390 7.576 40 0 EKABRN c1ccc2c(c1)-c1ccccc1C21[C@H]2C[C@@H]1c1cccc3cccc2c31 ZINC000071782759 563965810 /nfs/dbraw/zinc/96/58/10/563965810.db2.gz KHIXDTVTMJVMCS-PSWAGMNNSA-N 0 0 330.430 6.391 40 0 EKABRN Cc1ccc(Cl)c2c1[C@H]1c3ccccc3[C@@H]2c2cccc(Cl)c21 ZINC000071782773 215826612 /nfs/dbraw/zinc/82/66/12/215826612.db2.gz OSXQVWISCSVXAF-UYAOXDASSA-N 0 0 337.249 6.289 40 0 EKABRN Cc1ccc(Cl)c2c1[C@@H]1c3ccccc3[C@H]2c2cccc(Cl)c21 ZINC000071782774 563965807 /nfs/dbraw/zinc/96/58/07/563965807.db2.gz OSXQVWISCSVXAF-ICSRJNTNSA-N 0 0 337.249 6.289 40 0 EKABRN C(/C=C\c1ccc(/C=C\C=C/c2ccccc2)cc1)=C/c1ccccc1 ZINC000071782793 563965823 /nfs/dbraw/zinc/96/58/23/563965823.db2.gz RDXVBJMYWDYESH-WCQNVVTFSA-N 0 0 334.462 7.140 40 0 EKABRN C(=C/c1ccccc1)\C=C/c1ccc(/C=C\C=C/c2ccccc2)cc1 ZINC000071782794 563965787 /nfs/dbraw/zinc/96/57/87/563965787.db2.gz RDXVBJMYWDYESH-HRPMROCJSA-N 0 0 334.462 7.140 40 0 EKABRN C(=C/c1ccc(/C=C\C=C/c2ccccc2)cc1)\C=C/c1ccccc1 ZINC000071782795 563965825 /nfs/dbraw/zinc/96/58/25/563965825.db2.gz RDXVBJMYWDYESH-XGEJYKETSA-N 0 0 334.462 7.140 40 0 EKABRN c1cc2c3c(cccc3c1)[C@H]1C[C@@H]3c4cccc5cccc(c45)[C@@H]3C[C@@H]21 ZINC000071784950 563920851 /nfs/dbraw/zinc/92/08/51/563920851.db2.gz UFWHXJPHNAASJP-WAPCQROESA-N 0 0 332.446 6.849 40 0 EKABRN C[C@H]1C[C@@H]2CCc3ccc4ccccc4c3[C@@H]2c2c3ccccc3ccc21 ZINC000071785196 215826161 /nfs/dbraw/zinc/82/61/61/215826161.db2.gz QGYAOHODJSDTPT-WOILTVAASA-N 0 0 348.489 7.195 40 0 EKABRN C[C@H]1C[C@H]2CCc3ccc4ccccc4c3[C@@H]2c2c3ccccc3ccc21 ZINC000071785198 563920879 /nfs/dbraw/zinc/92/08/79/563920879.db2.gz QGYAOHODJSDTPT-JHACJNOPSA-N 0 0 348.489 7.195 40 0 EKABRN C1=C\[C@H]([C@H]2/C=C\CCCCCCCCC2)CCCCCCCCC/1 ZINC000071785892 203113292 /nfs/dbraw/zinc/11/32/92/203113292.db2.gz ZVQLJQKZIPBSRE-VDHNJSJISA-N 0 0 330.600 8.380 40 0 EKABRN C1=C/[C@H]([C@H]2/C=C\CCCCCCCCC2)CCCCCCCCC/1 ZINC000071785893 563965808 /nfs/dbraw/zinc/96/58/08/563965808.db2.gz ZVQLJQKZIPBSRE-YWFSADOLSA-N 0 0 330.600 8.380 40 0 EKABRN CC1(C)C(Cl)(Cl)C12[C@@H]1CC[C@H]2c2c1c(F)c(F)c(F)c2F ZINC000071785917 563965820 /nfs/dbraw/zinc/96/58/20/563965820.db2.gz AOLHYUUVKRWUMW-GDCRSALOSA-N 0 0 339.159 5.418 40 0 EKABRN CC(C)(CCCCCCCO)c1ccc([C@H]2CCC[C@@H](O)C2)c(O)c1 ZINC000071789395 215826369 /nfs/dbraw/zinc/82/63/69/215826369.db2.gz CGEUPVXPOYJOQH-PKOBYXMFSA-N 0 0 348.527 5.021 40 0 in-vitro EKABRN CC(C)(C)n1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000071789396 563983152 /nfs/dbraw/zinc/98/31/52/563983152.db2.gz GJHGLAADYQQJTA-UHFFFAOYSA-N 0 0 327.427 5.781 40 0 in-vitro EKABRN CC(C)(C)n1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000071789398 203112519 /nfs/dbraw/zinc/11/25/19/203112519.db2.gz WXDJZVMXYNCQLO-UHFFFAOYSA-N 0 0 327.427 5.781 40 0 in-vitro EKABRN CCC(C)(C)n1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000071789401 215826670 /nfs/dbraw/zinc/82/66/70/215826670.db2.gz GUKXLKKRCJYVFK-UHFFFAOYSA-N 0 0 341.454 6.171 40 0 in-vitro EKABRN CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCCCC(=O)OC ZINC000071791050 203112547 /nfs/dbraw/zinc/11/25/47/203112547.db2.gz ABGHYAFHPINIHF-NRAUZEMASA-N 0 0 346.555 7.085 40 0 EKABRN Clc1ncc2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl ZINC000071793116 564117953 /nfs/dbraw/zinc/11/79/53/564117953.db2.gz ISASFZNPFKQNRJ-UHFFFAOYSA-N 0 0 335.832 6.155 40 0 EKABRN Clc1nc2c(Cl)c(Cl)c(Cl)c(Cl)c2nc1Cl ZINC000071793117 564117936 /nfs/dbraw/zinc/11/79/36/564117936.db2.gz ATEQFBLOHPRUHO-UHFFFAOYSA-N 0 0 336.820 5.550 40 0 EKABRN CCOC(=O)c1c2cc(OC(C)C)ccc2oc1-c1ccc(F)cc1 ZINC000071973209 215984905 /nfs/dbraw/zinc/98/49/05/215984905.db2.gz GABVJHBTVTZBOQ-UHFFFAOYSA-N 0 0 342.366 5.203 40 0 EKABRN Cc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)n2)cc1 ZINC000071977914 215987140 /nfs/dbraw/zinc/98/71/40/215987140.db2.gz LNAQRHWHGFDIMI-UHFFFAOYSA-N 0 0 330.218 5.008 40 0 EKABRN Cc1ccccc1-c1cc(-c2ccc(Cl)c(Cl)c2)nc(N)n1 ZINC000071977932 203156640 /nfs/dbraw/zinc/15/66/40/203156640.db2.gz CGEGJLUPXAFVFU-UHFFFAOYSA-N 0 0 330.218 5.008 40 0 EKABRN Cc1cccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)n2)c1 ZINC000071977935 563965991 /nfs/dbraw/zinc/96/59/91/563965991.db2.gz ACCAJCPKIKOHNO-UHFFFAOYSA-N 0 0 330.218 5.008 40 0 EKABRN CC(C)(C)OC(=O)N1CCC(CSc2ccc(Cl)cc2)CC1 ZINC000072203978 216070108 /nfs/dbraw/zinc/07/01/08/216070108.db2.gz PYNYEQOSEYEPPD-UHFFFAOYSA-N 0 0 341.904 5.079 40 0 EKABRN CC(C)(C)OC(=O)N1CCC[C@H](CSc2ccc(Cl)cc2)C1 ZINC000072203990 216070321 /nfs/dbraw/zinc/07/03/21/216070321.db2.gz SIBAPGCHHOWVIR-ZDUSSCGKSA-N 0 0 341.904 5.079 40 0 EKABRN CC(C)(C)OC(=O)N1CCC[C@@H](CSc2ccc(Cl)cc2)C1 ZINC000072203991 216070164 /nfs/dbraw/zinc/07/01/64/216070164.db2.gz SIBAPGCHHOWVIR-CYBMUJFWSA-N 0 0 341.904 5.079 40 0 EKABRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217358 563985374 /nfs/dbraw/zinc/98/53/74/563985374.db2.gz QFSJBKCONPMCGK-CQSZACIVSA-N 0 0 336.501 5.044 40 0 EKABRN CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217359 563985370 /nfs/dbraw/zinc/98/53/70/563985370.db2.gz QFSJBKCONPMCGK-AWEZNQCLSA-N 0 0 336.501 5.044 40 0 EKABRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217418 563985369 /nfs/dbraw/zinc/98/53/69/563985369.db2.gz OLYFSZPPBIRLME-CQSZACIVSA-N 0 0 336.501 5.044 40 0 EKABRN CC(C)(C)OC(=O)N1CCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217419 257687481 /nfs/dbraw/zinc/68/74/81/257687481.db2.gz OLYFSZPPBIRLME-AWEZNQCLSA-N 0 0 336.501 5.044 40 0 EKABRN CC(C)Sc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072217509 257687587 /nfs/dbraw/zinc/68/75/87/257687587.db2.gz ALMATUGQBSPGPX-HNNXBMFYSA-N 0 0 336.501 5.044 40 0 EKABRN CC(C)Sc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072217510 563985397 /nfs/dbraw/zinc/98/53/97/563985397.db2.gz ALMATUGQBSPGPX-OAHLLOKOSA-N 0 0 336.501 5.044 40 0 EKABRN CC(C)Sc1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072217569 257687599 /nfs/dbraw/zinc/68/75/99/257687599.db2.gz VKCTVDZSWHJTGZ-HNNXBMFYSA-N 0 0 336.501 5.044 40 0 EKABRN CC(C)Sc1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072217570 257687597 /nfs/dbraw/zinc/68/75/97/257687597.db2.gz VKCTVDZSWHJTGZ-OAHLLOKOSA-N 0 0 336.501 5.044 40 0 EKABRN O=C(OCc1ccccc1)N1CCCC[C@@H]1c1cnc2ccccc2c1 ZINC000072219595 257687041 /nfs/dbraw/zinc/68/70/41/257687041.db2.gz KQVGXGCJDWJTEZ-OAQYLSRUSA-N 0 0 346.430 5.099 40 0 EKABRN O=C(OCc1ccccc1)N1CCCC[C@H]1c1cnc2ccccc2c1 ZINC000072219596 563985764 /nfs/dbraw/zinc/98/57/64/563985764.db2.gz KQVGXGCJDWJTEZ-NRFANRHFSA-N 0 0 346.430 5.099 40 0 EKABRN O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc2[nH]ccc2c1 ZINC000072221762 563985831 /nfs/dbraw/zinc/98/58/31/563985831.db2.gz KCALJOKQHHXQFI-HXUWFJFHSA-N 0 0 334.419 5.032 40 0 EKABRN O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc2[nH]ccc2c1 ZINC000072221763 563985836 /nfs/dbraw/zinc/98/58/36/563985836.db2.gz KCALJOKQHHXQFI-FQEVSTJZSA-N 0 0 334.419 5.032 40 0 EKABRN O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc2ncccc2c1 ZINC000072221817 563985835 /nfs/dbraw/zinc/98/58/35/563985835.db2.gz LILMBLSVECLSFD-OAQYLSRUSA-N 0 0 346.430 5.099 40 0 EKABRN O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc2ncccc2c1 ZINC000072221818 563985825 /nfs/dbraw/zinc/98/58/25/563985825.db2.gz LILMBLSVECLSFD-NRFANRHFSA-N 0 0 346.430 5.099 40 0 EKABRN Cc1csc(-c2sc(-c3scc(C)c3C)c(C)c2C)c1C ZINC000072232712 216074312 /nfs/dbraw/zinc/07/43/12/216074312.db2.gz URTQCDXIJLVJOM-UHFFFAOYSA-N 0 0 332.559 7.056 40 0 EKABRN Fc1cc(F)c(-c2c(Cl)nc3ncccc3c2Cl)c(F)c1 ZINC000072406721 216196914 /nfs/dbraw/zinc/19/69/14/216196914.db2.gz ONAIIAOQSZMMFI-UHFFFAOYSA-N 0 0 329.108 5.021 40 0 EKABRN CCO[C@H](c1nc(-c2ccc(Cl)cc2)c[nH]1)c1ccc(Cl)cc1 ZINC000072414126 216205354 /nfs/dbraw/zinc/20/53/54/216205354.db2.gz ORVOFCCFHPJZCS-KRWDZBQOSA-N 0 0 347.245 5.509 40 0 EKABRN CCO[C@@H](c1nc(-c2ccc(Cl)cc2)c[nH]1)c1ccc(Cl)cc1 ZINC000072414127 216205289 /nfs/dbraw/zinc/20/52/89/216205289.db2.gz ORVOFCCFHPJZCS-QGZVFWFLSA-N 0 0 347.245 5.509 40 0 EKABRN Clc1ccc(Cl)c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc21 ZINC000073634627 216403164 /nfs/dbraw/zinc/40/31/64/216403164.db2.gz DJVVBTXGIWPRIE-UHFFFAOYSA-N 0 0 339.225 6.204 40 0 EKABRN Clc1ccc(Cl)c2[nH]c(-c3cccc4c(Cl)cccc34)nc21 ZINC000073634644 563921222 /nfs/dbraw/zinc/92/12/22/563921222.db2.gz DHCQTLYRDWBFPJ-UHFFFAOYSA-N 0 0 347.632 6.343 40 0 EKABRN Clc1ccc(Cl)c2[nH]c(-c3ccccc3Br)nc21 ZINC000073634660 563921247 /nfs/dbraw/zinc/92/12/47/563921247.db2.gz NSRPGGONOJQQEY-UHFFFAOYSA-N 0 0 342.023 5.299 40 0 EKABRN Clc1ccc(Cl)c2[nH]c(-c3cccc(Br)c3)nc21 ZINC000073634671 202369961 /nfs/dbraw/zinc/36/99/61/202369961.db2.gz MVKWOWJHHWYKHK-UHFFFAOYSA-N 0 0 342.023 5.299 40 0 EKABRN Clc1ccc(Cl)c2[nH]c(-c3ccc(Br)cc3)nc21 ZINC000073634684 216403467 /nfs/dbraw/zinc/40/34/67/216403467.db2.gz VJKUIEYASBJFQP-UHFFFAOYSA-N 0 0 342.023 5.299 40 0 EKABRN Clc1ccc(-c2nc3c([nH]2)c(Cl)ccc3Cl)c(Cl)c1 ZINC000073634692 563921265 /nfs/dbraw/zinc/92/12/65/563921265.db2.gz HRDRUDYNMWQFPF-UHFFFAOYSA-N 0 0 332.017 5.844 40 0 EKABRN Clc1ccc(Cl)c2[nH]c(-c3cccc(Cl)c3Cl)nc21 ZINC000073634694 563921252 /nfs/dbraw/zinc/92/12/52/563921252.db2.gz AAXVNBSFPKUDEZ-UHFFFAOYSA-N 0 0 332.017 5.844 40 0 EKABRN Clc1ccc(Cl)c(-c2nc3c([nH]2)c(Cl)ccc3Cl)c1 ZINC000073634698 202369782 /nfs/dbraw/zinc/36/97/82/202369782.db2.gz BJCUDCPVALGLJT-UHFFFAOYSA-N 0 0 332.017 5.844 40 0 EKABRN Clc1ccc(Cl)c2[nH]c(-c3ccc(Cl)c(Cl)c3)nc21 ZINC000073634706 563921232 /nfs/dbraw/zinc/92/12/32/563921232.db2.gz VYSRUDMPTXXWAL-UHFFFAOYSA-N 0 0 332.017 5.844 40 0 EKABRN COc1ccc(-c2nc3c([nH]2)c(Cl)ccc3Cl)cc1Cl ZINC000073634712 563921281 /nfs/dbraw/zinc/92/12/81/563921281.db2.gz XVNJMIJLMMHING-UHFFFAOYSA-N 0 0 327.598 5.199 40 0 EKABRN Nc1c(Cl)cc(-c2nc3c([nH]2)c(Cl)ccc3Cl)cc1Cl ZINC000073634765 202369562 /nfs/dbraw/zinc/36/95/62/202369562.db2.gz FIOHQPHHHUPHDQ-UHFFFAOYSA-N 0 0 347.032 5.426 40 0 EKABRN Nc1cc(-c2nc3c([nH]2)c(Cl)ccc3Cl)cc(Cl)c1Cl ZINC000073634773 216403495 /nfs/dbraw/zinc/40/34/95/216403495.db2.gz SWVAZCCKRMBHPX-UHFFFAOYSA-N 0 0 347.032 5.426 40 0 EKABRN Nc1cc(-c2nc3c([nH]2)c(Cl)ccc3Cl)c(Cl)cc1Cl ZINC000073634776 563921270 /nfs/dbraw/zinc/92/12/70/563921270.db2.gz QVCBUJRZGMXJHP-UHFFFAOYSA-N 0 0 347.032 5.426 40 0 EKABRN Nc1c(Cl)cc(Cl)cc1-c1nc2c([nH]1)c(Cl)ccc2Cl ZINC000073634785 216403885 /nfs/dbraw/zinc/40/38/85/216403885.db2.gz IGYSSCLEZUIIJU-UHFFFAOYSA-N 0 0 347.032 5.426 40 0 EKABRN Cc1cc2[nH]c(-c3cc(N)c(Cl)cc3Cl)nc2cc1Cl ZINC000073634791 216403432 /nfs/dbraw/zinc/40/34/32/216403432.db2.gz VXNWHCDFGUNVAA-UHFFFAOYSA-N 0 0 326.614 5.081 40 0 EKABRN Cc1cc2[nH]c(-c3cc(N)c(Cl)c(Cl)c3)nc2cc1Cl ZINC000073634796 563921240 /nfs/dbraw/zinc/92/12/40/563921240.db2.gz XVTGXLDAVZVFMH-UHFFFAOYSA-N 0 0 326.614 5.081 40 0 EKABRN Cc1cc2[nH]c(-c3cc(Cl)cc(Cl)c3N)nc2cc1Cl ZINC000073634800 202370085 /nfs/dbraw/zinc/37/00/85/202370085.db2.gz UCEPKAJZYHJAFW-UHFFFAOYSA-N 0 0 326.614 5.081 40 0 EKABRN COc1cccc(-n2c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000073739934 202367626 /nfs/dbraw/zinc/36/76/26/202367626.db2.gz IOGUGBTUHKQGKI-UHFFFAOYSA-N 0 0 334.806 5.355 40 0 EKABRN COc1ccc(-n2c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000073739959 202367608 /nfs/dbraw/zinc/36/76/08/202367608.db2.gz MWPKAUXNRIRVEI-UHFFFAOYSA-N 0 0 334.806 5.355 40 0 EKABRN CN(C)c1ccc(-n2c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000073739965 563921045 /nfs/dbraw/zinc/92/10/45/563921045.db2.gz JFZJBTZOMKCQDJ-UHFFFAOYSA-N 0 0 347.849 5.412 40 0 EKABRN Cc1ccc(-c2nc3ccccc3n2-c2ccc(N(C)C)cc2)cc1 ZINC000073739971 202367594 /nfs/dbraw/zinc/36/75/94/202367594.db2.gz ZTYQCFNKVFJZRS-UHFFFAOYSA-N 0 0 327.431 5.067 40 0 EKABRN CCN(CC)c1ccc(-n2c3ccccc3nc2-c2ccccc2)cc1 ZINC000073739993 216420303 /nfs/dbraw/zinc/42/03/03/216420303.db2.gz TVWGIOSQSZFOMG-UHFFFAOYSA-N 0 0 341.458 5.539 40 0 EKABRN Cc1ccc(-n2c3ccccc3nc2-c2ccc(Cl)cc2)cc1C ZINC000073740022 563921035 /nfs/dbraw/zinc/92/10/35/563921035.db2.gz KZUHQLAQEFYMCC-UHFFFAOYSA-N 0 0 332.834 5.963 40 0 EKABRN Cc1cc(C)cc(-n2c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000073740040 563921047 /nfs/dbraw/zinc/92/10/47/563921047.db2.gz RWLBJZPZGDTKFI-UHFFFAOYSA-N 0 0 332.834 5.963 40 0 EKABRN Cc1ccc(-c2nc3ccccc3n2-c2ccc(C)c(Cl)c2)cc1 ZINC000073740048 563921030 /nfs/dbraw/zinc/92/10/30/563921030.db2.gz MLSQAZUHBQTMDD-UHFFFAOYSA-N 0 0 332.834 5.963 40 0 EKABRN Cc1ccc(-n2c3ccccc3nc2-c2ccc(N)cc2)cc1Cl ZINC000073740050 563921039 /nfs/dbraw/zinc/92/10/39/563921039.db2.gz ZJNMZWJKVBNTSO-UHFFFAOYSA-N 0 0 333.822 5.237 40 0 EKABRN Cc1ccc(-n2c3ccccc3nc2-c2cccc(N)c2)cc1Cl ZINC000073740052 563921036 /nfs/dbraw/zinc/92/10/36/563921036.db2.gz DCLPZINHLSFVDJ-UHFFFAOYSA-N 0 0 333.822 5.237 40 0 EKABRN CC(C)(C)CC(C)(C)NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000075241775 216602694 /nfs/dbraw/zinc/60/26/94/216602694.db2.gz OWTHBYYTKLYENH-VQHVLOKHSA-N 0 0 328.283 5.338 40 0 EKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)NC1CCCCC1 ZINC000075283427 216603913 /nfs/dbraw/zinc/60/39/13/216603913.db2.gz NJDUIELAXWJLIZ-UHFFFAOYSA-N 0 0 344.842 5.587 40 0 EKABRN Cc1ccc(C)c(OCC(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000075283885 563967165 /nfs/dbraw/zinc/96/71/65/563967165.db2.gz QZYMYLSCWNPTAL-UHFFFAOYSA-N 0 0 347.414 5.113 40 0 EKABRN CCc1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000075283950 203311534 /nfs/dbraw/zinc/31/15/34/203311534.db2.gz SVDHYQZAJSPINJ-UHFFFAOYSA-N 0 0 347.414 5.059 40 0 EKABRN Cc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000075285029 563921395 /nfs/dbraw/zinc/92/13/95/563921395.db2.gz NSYWUODHCIBARY-RMKNXTFCSA-N 0 0 339.744 5.319 40 0 EKABRN CC(C)Oc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000075289799 563921461 /nfs/dbraw/zinc/92/14/61/563921461.db2.gz CKJCMXLNDKGWDA-UHFFFAOYSA-N 0 0 347.414 5.518 40 0 EKABRN CCCCSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1 ZINC000075338026 563921440 /nfs/dbraw/zinc/92/14/40/563921440.db2.gz MKBUIVLZDCIYID-UHFFFAOYSA-N 0 0 337.492 5.059 40 0 EKABRN Oc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000076272412 563921545 /nfs/dbraw/zinc/92/15/45/563921545.db2.gz FLFYDMYJIJYBHX-UHFFFAOYSA-N 0 0 325.795 5.450 40 0 EKABRN CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1O ZINC000076272809 563921555 /nfs/dbraw/zinc/92/15/55/563921555.db2.gz SBOZRNSLIIDTLD-UHFFFAOYSA-N 0 0 335.403 5.195 40 0 EKABRN CCOc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1O ZINC000076275225 202387083 /nfs/dbraw/zinc/38/70/83/202387083.db2.gz HTFQOENZSVWISW-UHFFFAOYSA-N 0 0 326.223 5.018 40 0 EKABRN CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1O ZINC000076275264 563921541 /nfs/dbraw/zinc/92/15/41/563921541.db2.gz CTLHLAFMHOLYGX-UHFFFAOYSA-N 0 0 326.223 5.018 40 0 EKABRN C/C=C/c1ccc(O[C@@H](C)c2nc3cc(C)c(C)cc3[nH]2)c(OC)c1 ZINC000076556300 563968097 /nfs/dbraw/zinc/96/80/97/563968097.db2.gz JHHPATYERRVIRJ-LFAOLKIESA-N 0 0 336.435 5.361 40 0 EKABRN C/C=C/c1ccc(O[C@H](C)c2nc3cc(C)c(C)cc3[nH]2)c(OC)c1 ZINC000076556305 203357887 /nfs/dbraw/zinc/35/78/87/203357887.db2.gz JHHPATYERRVIRJ-LQYUOIDQSA-N 0 0 336.435 5.361 40 0 EKABRN CC(=O)c1nc2cc(Cl)ccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000076556483 216791048 /nfs/dbraw/zinc/79/10/48/216791048.db2.gz LSWUZDIZFZNNKN-UHFFFAOYSA-N 0 0 340.854 5.238 40 0 EKABRN O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(O)cc1 ZINC000078015390 564134403 /nfs/dbraw/zinc/13/44/03/564134403.db2.gz NOPNBQOZUKISRP-UHFFFAOYSA-N 0 0 342.287 5.037 40 0 EKABRN Clc1cc(-c2ccc(Br)cc2)nc(-c2ccccc2)n1 ZINC000078401157 563970475 /nfs/dbraw/zinc/97/04/75/563970475.db2.gz OUZCFIOXNKIGMG-UHFFFAOYSA-N 0 0 345.627 5.227 40 0 EKABRN Clc1ccc(-c2cc(Cl)nc(-c3ccc(Cl)cc3)n2)cc1 ZINC000078401173 217047928 /nfs/dbraw/zinc/04/79/28/217047928.db2.gz ZZTVIBRIHJBQNE-UHFFFAOYSA-N 0 0 335.621 5.771 40 0 EKABRN COc1ccc(-c2cc(Cl)nc(-c3ccc(Cl)cc3)n2)cc1 ZINC000078401181 217047964 /nfs/dbraw/zinc/04/79/64/217047964.db2.gz BKGNDWQMHYTRIV-UHFFFAOYSA-N 0 0 331.202 5.126 40 0 EKABRN COc1cccc(-c2cc(Cl)nc(-c3ccc(Cl)cc3)n2)c1 ZINC000078401185 563970480 /nfs/dbraw/zinc/97/04/80/563970480.db2.gz AIFOMKQENOZSRI-UHFFFAOYSA-N 0 0 331.202 5.126 40 0 EKABRN COc1ccc(-c2nc(Cl)cc(-c3ccc(Cl)cc3)n2)cc1 ZINC000078401218 217047670 /nfs/dbraw/zinc/04/76/70/217047670.db2.gz IXZKVNOCJOPOJR-UHFFFAOYSA-N 0 0 331.202 5.126 40 0 EKABRN Clc1ccc(-c2cc(Cl)nc(-c3cccc(Cl)c3)n2)cc1 ZINC000078401240 217047562 /nfs/dbraw/zinc/04/75/62/217047562.db2.gz WOCSYKXZKCBHKU-UHFFFAOYSA-N 0 0 335.621 5.771 40 0 EKABRN COc1ccc(-c2cc(Cl)nc(-c3cccc(Cl)c3)n2)cc1 ZINC000078401247 563970495 /nfs/dbraw/zinc/97/04/95/563970495.db2.gz CASRMGDICMSVLA-UHFFFAOYSA-N 0 0 331.202 5.126 40 0 EKABRN COc1cccc(-c2cc(Cl)nc(-c3cccc(Cl)c3)n2)c1 ZINC000078401251 217048264 /nfs/dbraw/zinc/04/82/64/217048264.db2.gz RXUWALFFTCPKDJ-UHFFFAOYSA-N 0 0 331.202 5.126 40 0 EKABRN COc1cccc(-c2nc(Cl)cc(-c3ccc(Cl)cc3)n2)c1 ZINC000078401280 217048000 /nfs/dbraw/zinc/04/80/00/217048000.db2.gz IVCOIIAPBSHDRE-UHFFFAOYSA-N 0 0 331.202 5.126 40 0 EKABRN Fc1ccc(-c2cc(Cl)nc(Cc3ccc(Cl)cc3)n2)cc1 ZINC000078401366 217048294 /nfs/dbraw/zinc/04/82/94/217048294.db2.gz QXTBVKAHPOUFBI-UHFFFAOYSA-N 0 0 333.193 5.180 40 0 EKABRN Clc1ccc(Cc2nc(Cl)cc(-c3ccc(Cl)cc3)n2)cc1 ZINC000078401368 203417874 /nfs/dbraw/zinc/41/78/74/203417874.db2.gz OCTMGKLHYJMLGX-UHFFFAOYSA-N 0 0 349.648 5.695 40 0 EKABRN Cc1ccc(-c2cc(Cl)nc(Cc3ccc(Cl)cc3)n2)cc1 ZINC000078401376 563970525 /nfs/dbraw/zinc/97/05/25/563970525.db2.gz WLUVGXDYHDDGLK-UHFFFAOYSA-N 0 0 329.230 5.350 40 0 EKABRN COc1ccc(-c2cc(Cl)nc(Cc3ccc(Cl)cc3)n2)cc1 ZINC000078401379 563970499 /nfs/dbraw/zinc/97/04/99/563970499.db2.gz INTAKHXBZPHQED-UHFFFAOYSA-N 0 0 345.229 5.050 40 0 EKABRN COc1cccc(-c2cc(Cl)nc(Cc3ccc(Cl)cc3)n2)c1 ZINC000078401381 563970511 /nfs/dbraw/zinc/97/05/11/563970511.db2.gz ZECGQMOLVXWDJM-UHFFFAOYSA-N 0 0 345.229 5.050 40 0 EKABRN CCCCc1ccc2[nH+]c(C)cc(Nc3ccc(C(=O)[O-])cc3)c2c1 ZINC000078401748 217047646 /nfs/dbraw/zinc/04/76/46/217047646.db2.gz WWSRLYWOCGFOEO-UHFFFAOYSA-N 0 0 334.419 5.328 40 0 EKABRN CCCCc1ccc2[nH+]c(C)cc(Nc3cccc(C(=O)[O-])c3)c2c1 ZINC000078401750 563970515 /nfs/dbraw/zinc/97/05/15/563970515.db2.gz HPWUVRKXQDBEJB-UHFFFAOYSA-N 0 0 334.419 5.328 40 0 EKABRN CCCCc1ccc2[nH+]c(C)cc(Nc3ccccc3C(=O)[O-])c2c1 ZINC000078401752 217047551 /nfs/dbraw/zinc/04/75/51/217047551.db2.gz XNTFJAHMGTUPBX-UHFFFAOYSA-N 0 0 334.419 5.328 40 0 EKABRN CCc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000078457645 217055339 /nfs/dbraw/zinc/05/53/39/217055339.db2.gz HSILRCMNQTWTQJ-QGZVFWFLSA-N 0 0 329.443 5.407 40 0 EKABRN CCc1ccc([C@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000078457648 217055524 /nfs/dbraw/zinc/05/55/24/217055524.db2.gz HSILRCMNQTWTQJ-KRWDZBQOSA-N 0 0 329.443 5.407 40 0 EKABRN CCc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000078457767 217055538 /nfs/dbraw/zinc/05/55/38/217055538.db2.gz QYHCAVJZEZJPAI-ABPVARSCSA-N 0 0 335.491 5.437 40 0 EKABRN CCc1ccc([C@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000078457771 203418262 /nfs/dbraw/zinc/41/82/62/203418262.db2.gz QYHCAVJZEZJPAI-YTBHAWNYSA-N 0 0 335.491 5.437 40 0 EKABRN CCc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000078457798 217055813 /nfs/dbraw/zinc/05/58/13/217055813.db2.gz BXNJQLPWRMCLHF-YGNAEDSMSA-N 0 0 348.273 5.446 40 0 EKABRN CCc1ccc([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000078457799 217055809 /nfs/dbraw/zinc/05/58/09/217055809.db2.gz BXNJQLPWRMCLHF-STRFDMGBSA-N 0 0 348.273 5.446 40 0 EKABRN CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc32)cc1 ZINC000078458113 217055492 /nfs/dbraw/zinc/05/54/92/217055492.db2.gz DKBRLYVKQPJRMW-IAGOWNOFSA-N 0 0 347.458 5.047 40 0 EKABRN CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc32)cc1 ZINC000078458121 563970557 /nfs/dbraw/zinc/97/05/57/563970557.db2.gz DKBRLYVKQPJRMW-DLBZAZTESA-N 0 0 347.458 5.047 40 0 EKABRN CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc32)cc1 ZINC000078458127 217056023 /nfs/dbraw/zinc/05/60/23/217056023.db2.gz DKBRLYVKQPJRMW-SJORKVTESA-N 0 0 347.458 5.047 40 0 EKABRN CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc32)cc1 ZINC000078458134 217055404 /nfs/dbraw/zinc/05/54/04/217055404.db2.gz DKBRLYVKQPJRMW-IRXDYDNUSA-N 0 0 347.458 5.047 40 0 EKABRN CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 ZINC000078458137 217055761 /nfs/dbraw/zinc/05/57/61/217055761.db2.gz JWIMJEZQSANCDB-IAGOWNOFSA-N 0 0 347.458 5.047 40 0 EKABRN CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 ZINC000078458143 217055571 /nfs/dbraw/zinc/05/55/71/217055571.db2.gz JWIMJEZQSANCDB-DLBZAZTESA-N 0 0 347.458 5.047 40 0 EKABRN CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 ZINC000078458149 217055591 /nfs/dbraw/zinc/05/55/91/217055591.db2.gz JWIMJEZQSANCDB-SJORKVTESA-N 0 0 347.458 5.047 40 0 EKABRN CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 ZINC000078458156 217055795 /nfs/dbraw/zinc/05/57/95/217055795.db2.gz JWIMJEZQSANCDB-IRXDYDNUSA-N 0 0 347.458 5.047 40 0 EKABRN CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 ZINC000078458203 217055393 /nfs/dbraw/zinc/05/53/93/217055393.db2.gz GZWGWINTGWKGQY-IAGOWNOFSA-N 0 0 339.479 5.017 40 0 EKABRN CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 ZINC000078458208 217056100 /nfs/dbraw/zinc/05/61/00/217056100.db2.gz GZWGWINTGWKGQY-DLBZAZTESA-N 0 0 339.479 5.017 40 0 EKABRN CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 ZINC000078458217 217056096 /nfs/dbraw/zinc/05/60/96/217056096.db2.gz GZWGWINTGWKGQY-SJORKVTESA-N 0 0 339.479 5.017 40 0 EKABRN CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 ZINC000078458228 563970552 /nfs/dbraw/zinc/97/05/52/563970552.db2.gz GZWGWINTGWKGQY-IRXDYDNUSA-N 0 0 339.479 5.017 40 0 EKABRN CCc1ccc([C@@H](C)NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000078458662 563970580 /nfs/dbraw/zinc/97/05/80/563970580.db2.gz QJJFCPITSDRDKL-GOSISDBHSA-N 0 0 343.470 5.336 40 0 EKABRN CCc1ccc([C@H](C)NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000078458668 217055506 /nfs/dbraw/zinc/05/55/06/217055506.db2.gz QJJFCPITSDRDKL-SFHVURJKSA-N 0 0 343.470 5.336 40 0 EKABRN Cc1ccc(C)c([C@@H](C)NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 ZINC000078458834 563970596 /nfs/dbraw/zinc/97/05/96/563970596.db2.gz DBZSOKMBSAPWMF-LJQANCHMSA-N 0 0 343.470 5.390 40 0 EKABRN Cc1ccc(C)c([C@H](C)NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 ZINC000078458840 217055838 /nfs/dbraw/zinc/05/58/38/217055838.db2.gz DBZSOKMBSAPWMF-IBGZPJMESA-N 0 0 343.470 5.390 40 0 EKABRN CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1ccccc1 ZINC000078458915 563970594 /nfs/dbraw/zinc/97/05/94/563970594.db2.gz LDAUMFJXDAUSRY-XLIONFOSSA-N 0 0 339.479 5.153 40 0 EKABRN CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1ccccc1 ZINC000078458922 203418083 /nfs/dbraw/zinc/41/80/83/203418083.db2.gz LDAUMFJXDAUSRY-YLJYHZDGSA-N 0 0 339.479 5.153 40 0 EKABRN CC[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)c1ccccc1 ZINC000078458928 563970587 /nfs/dbraw/zinc/97/05/87/563970587.db2.gz LDAUMFJXDAUSRY-PXNSSMCTSA-N 0 0 339.479 5.153 40 0 EKABRN CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)c1ccccc1 ZINC000078458936 217055514 /nfs/dbraw/zinc/05/55/14/217055514.db2.gz LDAUMFJXDAUSRY-FXAWDEMLSA-N 0 0 339.479 5.153 40 0 EKABRN CC[C@H](NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(C)cc1 ZINC000078458956 217055663 /nfs/dbraw/zinc/05/56/63/217055663.db2.gz AGJWNCPLYISJPZ-FQEVSTJZSA-N 0 0 339.479 5.073 40 0 EKABRN CC[C@@H](NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(C)cc1 ZINC000078458964 217055819 /nfs/dbraw/zinc/05/58/19/217055819.db2.gz AGJWNCPLYISJPZ-HXUWFJFHSA-N 0 0 339.479 5.073 40 0 EKABRN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl ZINC000078529186 563921697 /nfs/dbraw/zinc/92/16/97/563921697.db2.gz JGZZCHAVRYOHBP-VIFPVBQESA-N 0 0 344.625 5.053 40 0 EKABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl ZINC000078529190 563921648 /nfs/dbraw/zinc/92/16/48/563921648.db2.gz JGZZCHAVRYOHBP-SECBINFHSA-N 0 0 344.625 5.053 40 0 EKABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1c(Cl)cccc1Cl ZINC000078529204 217069052 /nfs/dbraw/zinc/06/90/52/217069052.db2.gz WPIRVDLASFJNOB-HNNXBMFYSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1c(Cl)cccc1Cl ZINC000078529208 217069196 /nfs/dbraw/zinc/06/91/96/217069196.db2.gz WPIRVDLASFJNOB-OAHLLOKOSA-N 0 0 338.234 5.098 40 0 EKABRN O=Cc1cc(-c2ccccc2)n(-c2ccc(O)cc2)c1-c1ccccc1 ZINC000078582812 217080451 /nfs/dbraw/zinc/08/04/51/217080451.db2.gz KYUQQTFWYANDGS-UHFFFAOYSA-N 0 0 339.394 5.329 40 0 EKABRN CCN(CC)c1ccc2c(C)c(-c3ccc(Cl)cc3)c(=O)oc2c1 ZINC000079006564 217171999 /nfs/dbraw/zinc/17/19/99/217171999.db2.gz LVKRVXGIFQEEBS-UHFFFAOYSA-N 0 0 341.838 5.268 40 0 EKABRN CCN(CC)c1ccc2c(C)c(-c3cccc(Cl)c3)c(=O)oc2c1 ZINC000079006586 217172559 /nfs/dbraw/zinc/17/25/59/217172559.db2.gz JNKCSNICDYTHHU-UHFFFAOYSA-N 0 0 341.838 5.268 40 0 EKABRN Brc1ccc(-c2cccc3c4ccccc4sc32)cc1 ZINC000079062344 563970905 /nfs/dbraw/zinc/97/09/05/563970905.db2.gz FIAXBPCUAUSGJH-UHFFFAOYSA-N 0 0 339.257 6.484 40 0 EKABRN CCCC1CCC(C2CCC(CCc3ccc(F)c(F)c3)CC2)CC1 ZINC000079185636 564090043 /nfs/dbraw/zinc/09/00/43/564090043.db2.gz FQZFDALKYRQQTE-UHFFFAOYSA-N 0 0 348.521 7.310 40 0 EKABRN c1ccc(C2=C(c3ccccc3)[C@H](c3ccccc3)c3ccccc32)cc1 ZINC000079316967 217208313 /nfs/dbraw/zinc/20/83/13/217208313.db2.gz URBISKZYAXNRPC-RUZDIDTESA-N 0 0 344.457 6.791 40 0 EKABRN C/C=C/c1ccc(O[C@@H](C)c2nc3c(cc(C)cc3C)[nH]2)c(OC)c1 ZINC000082087032 563971995 /nfs/dbraw/zinc/97/19/95/563971995.db2.gz XQFADPXFAQOAMR-LFAOLKIESA-N 0 0 336.435 5.361 40 0 EKABRN C/C=C/c1ccc(O[C@H](C)c2nc3c(cc(C)cc3C)[nH]2)c(OC)c1 ZINC000082087035 563972061 /nfs/dbraw/zinc/97/20/61/563972061.db2.gz XQFADPXFAQOAMR-LQYUOIDQSA-N 0 0 336.435 5.361 40 0 EKABRN Cc1ccc(NN=Cc2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000082252200 564025049 /nfs/dbraw/zinc/02/50/49/564025049.db2.gz MOVLVPBLZBHUCI-OEAKJJBVSA-N 0 0 334.394 5.159 40 0 EKABRN Clc1cccc(COc2ccccc2C=NNc2ccccc2)c1 ZINC000082375077 564128664 /nfs/dbraw/zinc/12/86/64/564128664.db2.gz CXEIKTKWXAVVLT-HYARGMPZSA-N 0 0 336.822 5.365 40 0 EKABRN Clc1ccc(COc2cccc(C=NNc3ccccc3)c2)cc1 ZINC000082375277 564128681 /nfs/dbraw/zinc/12/86/81/564128681.db2.gz HBVIDUOZCIVYBG-HYARGMPZSA-N 0 0 336.822 5.365 40 0 EKABRN Cc1ccc([C@@](Cl)(c2ccccc2)c2ccccc2Cl)cc1 ZINC000084848689 563984000 /nfs/dbraw/zinc/98/40/00/563984000.db2.gz FCMFEPCCEAMQNE-FQEVSTJZSA-N 0 0 327.254 6.179 40 0 EKABRN Cc1ccc([C@](Cl)(c2ccccc2)c2ccccc2Cl)cc1 ZINC000084848690 563983988 /nfs/dbraw/zinc/98/39/88/563983988.db2.gz FCMFEPCCEAMQNE-HXUWFJFHSA-N 0 0 327.254 6.179 40 0 EKABRN CCCOC(=O)/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000085397229 203544540 /nfs/dbraw/zinc/54/45/40/203544540.db2.gz BJMGVQVCLUIIQI-DHZHZOJOSA-N 0 0 348.801 5.025 40 0 EKABRN O=C(/C=C/c1ccc(OCc2ccccc2F)cc1)Oc1ccccc1 ZINC000085397236 563986298 /nfs/dbraw/zinc/98/62/98/563986298.db2.gz KBQGBCNLERCWGN-NTCAYCPXSA-N 0 0 348.373 5.024 40 0 EKABRN Cc1cccc(COc2ccc(/C=C/C(=O)Oc3ccccc3)cc2)c1 ZINC000085397249 563986289 /nfs/dbraw/zinc/98/62/89/563986289.db2.gz MSBZDMCFRLDECH-NTCAYCPXSA-N 0 0 344.410 5.193 40 0 EKABRN CCCOC(=O)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)nc2c1 ZINC000085398401 563986325 /nfs/dbraw/zinc/98/63/25/563986325.db2.gz PSRURTNLKZRZLU-UHFFFAOYSA-N 0 0 336.435 5.094 40 0 EKABRN Cn1c2cccc3c2c(c1Oc1ccccc1)-c1ccccc1C3=O ZINC000085408917 203543586 /nfs/dbraw/zinc/54/35/86/203543586.db2.gz CZTWESAQEJBQEF-UHFFFAOYSA-N 0 0 325.367 5.182 40 0 EKABRN Cc1ccc(Oc2ccc3c4c(cn3C)-c3ccccc3C(=O)c42)cc1 ZINC000085409356 563973815 /nfs/dbraw/zinc/97/38/15/563973815.db2.gz VUPDBYUMIDPTOC-UHFFFAOYSA-N 0 0 339.394 5.490 40 0 EKABRN Fc1cc(Br)ccc1-c1ccccc1C[NH+]1CCCCC1 ZINC000085471876 563973794 /nfs/dbraw/zinc/97/37/94/563973794.db2.gz DRYSULBSSORLBZ-UHFFFAOYSA-N 0 0 348.259 5.241 40 0 EKABRN Brc1cc2cc3sc(Br)cc3cc2s1 ZINC000085483690 564018383 /nfs/dbraw/zinc/01/83/83/564018383.db2.gz SXRSYJAHJIIXFM-UHFFFAOYSA-N 0 0 348.084 5.641 40 0 EKABRN Cc1nc2c3ccccc3oc2c(N2C[C@]3(C)C[C@H]2CC(C)(C)C3)n1 ZINC000086016459 563974049 /nfs/dbraw/zinc/97/40/49/563974049.db2.gz GHZQQHKRGDMUHI-SPLOXXLWSA-N 0 0 335.451 5.089 40 0 EKABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000086064043 563931479 /nfs/dbraw/zinc/93/14/79/563931479.db2.gz QFEHNMKROHXPFO-GFLQDLJJSA-N 0 0 338.532 6.061 40 0 EKABRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000086064047 563931628 /nfs/dbraw/zinc/93/16/28/563931628.db2.gz QFEHNMKROHXPFO-GNVSMLMZSA-N 0 0 338.532 6.061 40 0 EKABRN CC(C)CCCCCc1cc(O)c(CCCCCC(C)C)cc1O ZINC000087492664 563974379 /nfs/dbraw/zinc/97/43/79/563974379.db2.gz NABFRHBCIHEYTA-UHFFFAOYSA-N 0 0 334.544 6.616 40 0 EKABRN Cc1c(Br)cccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000087493398 217732138 /nfs/dbraw/zinc/73/21/38/217732138.db2.gz BBBLCRLUWYEDRQ-UHFFFAOYSA-N 0 0 346.268 5.307 40 0 EKABRN Clc1c(OCc2ccccc2)ccc2cc(Br)ccc21 ZINC000088247306 563974471 /nfs/dbraw/zinc/97/44/71/563974471.db2.gz OPWJSCZEMUVBLT-UHFFFAOYSA-N 0 0 347.639 5.835 40 0 EKABRN FC(F)(F)c1ccccc1Nc1nc2ccc(Cl)cc2s1 ZINC000089065132 527686950 /nfs/dbraw/zinc/68/69/50/527686950.db2.gz QTOTZUXPOKSIFT-UHFFFAOYSA-N 0 0 328.746 5.712 40 0 EKABRN Clc1ccc2nc(Nc3ccccc3Br)sc2c1 ZINC000089065134 563970868 /nfs/dbraw/zinc/97/08/68/563970868.db2.gz FVXQYAUNJXHLTR-UHFFFAOYSA-N 0 0 339.645 5.456 40 0 EKABRN FC(F)(F)c1cccc(Nc2nc3ccc(Cl)cc3s2)c1 ZINC000089065141 564118088 /nfs/dbraw/zinc/11/80/88/564118088.db2.gz ORHUSYJBBBUJNL-UHFFFAOYSA-N 0 0 328.746 5.712 40 0 EKABRN Clc1ccc2nc(Nc3cccc(Br)c3)sc2c1 ZINC000089065143 564118093 /nfs/dbraw/zinc/11/80/93/564118093.db2.gz FSEJZYNBPZSXMW-UHFFFAOYSA-N 0 0 339.645 5.456 40 0 EKABRN FC(F)(F)c1ccc(Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000089065155 563970853 /nfs/dbraw/zinc/97/08/53/563970853.db2.gz DHXZTSFBEWTCGC-UHFFFAOYSA-N 0 0 328.746 5.712 40 0 EKABRN COc1ccc2nc(Nc3cc(Br)ccc3C)sc2c1 ZINC000089065166 564118085 /nfs/dbraw/zinc/11/80/85/564118085.db2.gz FYGCHSKLBBSQCD-UHFFFAOYSA-N 0 0 349.253 5.119 40 0 EKABRN COc1ccc(Nc2nc3ccc(Cl)cc3s2)cc1Cl ZINC000089065171 564118087 /nfs/dbraw/zinc/11/80/87/564118087.db2.gz KFBCHDMXNUBOOQ-UHFFFAOYSA-N 0 0 325.220 5.355 40 0 EKABRN Clc1ccc2nc(Nc3cc(Cl)cc(Cl)c3)sc2c1 ZINC000089065172 563970865 /nfs/dbraw/zinc/97/08/65/563970865.db2.gz SBEHDEJNUKNKDA-UHFFFAOYSA-N 0 0 329.639 6.000 40 0 EKABRN CCOc1ccc2nc(Sc3ccc(Cl)cc3)c(C=O)cc2c1 ZINC000089261601 217779442 /nfs/dbraw/zinc/77/94/42/217779442.db2.gz PNCILGRDEHIROS-UHFFFAOYSA-N 0 0 343.835 5.251 40 0 EKABRN Cc1cccc2cc(-c3noc(C4CCCCC4)n3)c(Cl)nc12 ZINC000089261639 563974687 /nfs/dbraw/zinc/97/46/87/563974687.db2.gz QTCWLDQZYCPCDM-UHFFFAOYSA-N 0 0 327.815 5.294 40 0 EKABRN Clc1ccc(Cl)c(-c2csc(-c3cccnc3Cl)n2)c1 ZINC000089262235 563974666 /nfs/dbraw/zinc/97/46/66/563974666.db2.gz PCQOTWLTTVFARH-UHFFFAOYSA-N 0 0 341.650 5.832 40 0 EKABRN Clc1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccn1 ZINC000089263526 563974716 /nfs/dbraw/zinc/97/47/16/563974716.db2.gz XEOGMBYSUPTFIR-UHFFFAOYSA-N 0 0 341.650 5.832 40 0 EKABRN Clc1ccc(-c2csc(-c3ccnc(Cl)c3)n2)c(Cl)c1 ZINC000089263533 563974720 /nfs/dbraw/zinc/97/47/20/563974720.db2.gz CWQKKVMMKQWPMR-UHFFFAOYSA-N 0 0 341.650 5.832 40 0 EKABRN Clc1ccc(Cl)c(-c2csc(-c3ccnc(Cl)c3)n2)c1 ZINC000089263534 203571421 /nfs/dbraw/zinc/57/14/21/203571421.db2.gz VUOHICVJNNXQNL-UHFFFAOYSA-N 0 0 341.650 5.832 40 0 EKABRN CCCCc1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1 ZINC000090428844 563974920 /nfs/dbraw/zinc/97/49/20/563974920.db2.gz GIIOQOZBJWKPHR-UHFFFAOYSA-N 0 0 334.890 6.560 40 0 EKABRN Brc1c2ccccc2c(Br)c2c1CCCC2 ZINC000090470080 563974925 /nfs/dbraw/zinc/97/49/25/563974925.db2.gz ZZGGDSYYBNAJPR-UHFFFAOYSA-N 0 0 340.058 5.244 40 0 EKABRN CCOc1ccc(-c2ccc(C3CCC(CC)CC3)cc2)c(F)c1F ZINC000090472328 564128654 /nfs/dbraw/zinc/12/86/54/564128654.db2.gz DEFRYXBKOCRIJE-UHFFFAOYSA-N 0 0 344.445 6.714 40 0 EKABRN Brc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1 ZINC000090550115 217938439 /nfs/dbraw/zinc/93/84/39/217938439.db2.gz HASALPWGHPTQBW-UHFFFAOYSA-N 0 0 349.231 5.455 40 0 EKABRN c1ccc(C(c2ccccc2)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000090751342 217951410 /nfs/dbraw/zinc/95/14/10/217951410.db2.gz JUBUISNZXUSURY-UHFFFAOYSA-N 0 0 332.446 6.438 40 0 EKABRN CC(C)(C[C@@H](CCc1ccccc1)c1ccccc1)c1ccccc1 ZINC000090766043 563975001 /nfs/dbraw/zinc/97/50/01/563975001.db2.gz TZYRDPBHTDYVNC-HSZRJFAPSA-N 0 0 328.499 6.771 40 0 EKABRN Cc1ccc(-c2ncc(Sc3cnc(-c4ccccc4)o3)o2)cc1 ZINC000094992882 218271731 /nfs/dbraw/zinc/27/17/31/218271731.db2.gz NYDWZSFDLDZNFA-UHFFFAOYSA-N 0 0 334.400 5.456 40 0 EKABRN Clc1c(Br)ccc(OCc2ccccc2)c1Cl ZINC000095093036 218280038 /nfs/dbraw/zinc/28/00/38/218280038.db2.gz AADMLMGSZDWMGW-UHFFFAOYSA-N 0 0 332.024 5.335 40 0 EKABRN Brc1ccc(-c2nc3ccccn3c2-c2ccccc2)cc1 ZINC000095093246 218280320 /nfs/dbraw/zinc/28/03/20/218280320.db2.gz MIVKNYUGPASSPY-UHFFFAOYSA-N 0 0 349.231 5.431 40 0 EKABRN c1ccc(C23CC4CC(CC(C4)C2)C3)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000095093269 563976663 /nfs/dbraw/zinc/97/66/63/563976663.db2.gz DSISFFIKRUIPCD-UHFFFAOYSA-N 0 0 346.558 6.622 40 0 EKABRN Clc1ccccc1-c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000095094741 218280843 /nfs/dbraw/zinc/28/08/43/218280843.db2.gz ZIXDVXJCOCEDEX-UHFFFAOYSA-N 0 0 333.616 5.160 40 0 EKABRN Clc1ccc(-c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 ZINC000095094742 564018506 /nfs/dbraw/zinc/01/85/06/564018506.db2.gz LXEVWDAFBSPXPP-UHFFFAOYSA-N 0 0 333.616 5.160 40 0 EKABRN O=Cc1cc(Cl)cc(Cl)c1OCc1c(F)cccc1Cl ZINC000095094956 218280837 /nfs/dbraw/zinc/28/08/37/218280837.db2.gz SKPTYGSTKMZNQF-UHFFFAOYSA-N 0 0 333.573 5.177 40 0 EKABRN COc1cc(C=O)c(Cl)cc1OCc1c(Cl)cccc1Cl ZINC000095094969 218281089 /nfs/dbraw/zinc/28/10/89/218281089.db2.gz GOJGWMZHJMLRHC-UHFFFAOYSA-N 0 0 345.609 5.047 40 0 EKABRN COc1cc(C=O)c(Cl)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000095094972 218280656 /nfs/dbraw/zinc/28/06/56/218280656.db2.gz UFTZNXMGJDWBTB-UHFFFAOYSA-N 0 0 345.609 5.047 40 0 EKABRN OCc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc21 ZINC000095095023 218281086 /nfs/dbraw/zinc/28/10/86/218281086.db2.gz XOKWPRNOFPOCMX-UHFFFAOYSA-N 0 0 333.214 5.218 40 0 EKABRN OCc1c(OCc2c(Cl)cccc2Cl)ccc2ccccc21 ZINC000095095221 218280685 /nfs/dbraw/zinc/28/06/85/218280685.db2.gz QRYSIQFGJJTXQA-UHFFFAOYSA-N 0 0 333.214 5.218 40 0 EKABRN Clc1ccc2c(Cl)c(Br)c(Cl)nc2c1Cl ZINC000095098197 218280704 /nfs/dbraw/zinc/28/07/04/218280704.db2.gz UEVUYPPIXAWEAA-UHFFFAOYSA-N 0 0 345.838 5.611 40 0 EKABRN FC(F)(F)c1ccc2nc(Cl)c(Br)c(Cl)c2c1 ZINC000095098204 564022405 /nfs/dbraw/zinc/02/24/05/564022405.db2.gz YJVICKLIDRBOHR-UHFFFAOYSA-N 0 0 344.945 5.323 40 0 EKABRN Clc1cc(Cl)c2nc(Cl)c(Br)c(Cl)c2c1 ZINC000095098208 564022426 /nfs/dbraw/zinc/02/24/26/564022426.db2.gz HJLOIAKUWBOVFK-UHFFFAOYSA-N 0 0 345.838 5.611 40 0 EKABRN Fc1cc2c(Cl)c(Br)c(Cl)nc2cc1Cl ZINC000095098249 218280744 /nfs/dbraw/zinc/28/07/44/218280744.db2.gz OMILNFARQFPIEE-UHFFFAOYSA-N 0 0 329.383 5.097 40 0 EKABRN Cc1cc2ccccc2c(-c2c(Cl)ccc3ccccc32)c1Cl ZINC000095496239 218412528 /nfs/dbraw/zinc/41/25/28/218412528.db2.gz OSNGMQBQVMNKGU-UHFFFAOYSA-N 0 0 337.249 7.275 40 0 EKABRN Br[C@]1(c2cccs2)SC=C[C@H]1c1cccs1 ZINC000095496370 203750354 /nfs/dbraw/zinc/75/03/54/203750354.db2.gz KIYPJMIQRNPLPS-CABZTGNLSA-N 0 0 329.309 5.402 40 0 EKABRN Br[C@]1(c2cccs2)SC=C[C@@H]1c1cccs1 ZINC000095496371 218412452 /nfs/dbraw/zinc/41/24/52/218412452.db2.gz KIYPJMIQRNPLPS-SKDRFNHKSA-N 0 0 329.309 5.402 40 0 EKABRN Br[C@@]1(c2cccs2)SC=C[C@H]1c1cccs1 ZINC000095496372 563977000 /nfs/dbraw/zinc/97/70/00/563977000.db2.gz KIYPJMIQRNPLPS-JOYOIKCWSA-N 0 0 329.309 5.402 40 0 EKABRN Br[C@@]1(c2cccs2)SC=C[C@@H]1c1cccs1 ZINC000095496373 563977017 /nfs/dbraw/zinc/97/70/17/563977017.db2.gz KIYPJMIQRNPLPS-BXKDBHETSA-N 0 0 329.309 5.402 40 0 EKABRN Clc1ccccc1[C@H](N1CCCCC1)C(Cl)(Cl)Cl ZINC000095695606 563977605 /nfs/dbraw/zinc/97/76/05/563977605.db2.gz DYOFOGDRKYPWPI-LBPRGKRZSA-N 0 0 327.082 5.237 40 0 EKABRN Clc1ccccc1[C@@H](N1CCCCC1)C(Cl)(Cl)Cl ZINC000095695608 563977618 /nfs/dbraw/zinc/97/76/18/563977618.db2.gz DYOFOGDRKYPWPI-GFCCVEGCSA-N 0 0 327.082 5.237 40 0 EKABRN CCC(CC)n1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000095705002 564141813 /nfs/dbraw/zinc/14/18/13/564141813.db2.gz OEESYRPHKQOKLA-UHFFFAOYSA-N 0 0 341.454 6.387 40 0 in-vitro EKABRN C[C@H](F)CCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 ZINC000095705025 564141820 /nfs/dbraw/zinc/14/18/20/564141820.db2.gz ROEZBBZNFJXHOC-AWEZNQCLSA-N 0 0 329.459 5.644 40 0 in-vitro EKABRN C[C@@H](F)CCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 ZINC000095705026 564141825 /nfs/dbraw/zinc/14/18/25/564141825.db2.gz ROEZBBZNFJXHOC-CQSZACIVSA-N 0 0 329.459 5.644 40 0 in-vitro EKABRN CCC[C@H](F)Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 ZINC000095705042 564141831 /nfs/dbraw/zinc/14/18/31/564141831.db2.gz QWKOFFDPSCMXAL-AWEZNQCLSA-N 0 0 329.459 5.644 40 0 in-vitro EKABRN CCC[C@@H](F)Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 ZINC000095705043 564141824 /nfs/dbraw/zinc/14/18/24/564141824.db2.gz QWKOFFDPSCMXAL-CQSZACIVSA-N 0 0 329.459 5.644 40 0 in-vitro EKABRN CC[C@H](F)CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 ZINC000095705045 564018064 /nfs/dbraw/zinc/01/80/64/564018064.db2.gz FAFWRNLRDMHCOR-AWEZNQCLSA-N 0 0 329.459 5.644 40 0 in-vitro EKABRN CC[C@@H](F)CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 ZINC000095705047 564018043 /nfs/dbraw/zinc/01/80/43/564018043.db2.gz FAFWRNLRDMHCOR-CQSZACIVSA-N 0 0 329.459 5.644 40 0 in-vitro EKABRN CCCCCn1nc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000095705111 564141848 /nfs/dbraw/zinc/14/18/48/564141848.db2.gz VAKGBPSFDNTMDJ-UHFFFAOYSA-N 0 0 342.442 5.611 40 0 in-vitro EKABRN CC(C)CCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 ZINC000095705117 564141839 /nfs/dbraw/zinc/14/18/39/564141839.db2.gz JOVRITWYDROVAQ-UHFFFAOYSA-N 0 0 339.523 6.333 40 0 in-vitro EKABRN Clc1ccc(C=C(Br)Br)c(Cl)c1 ZINC000095725482 564066283 /nfs/dbraw/zinc/06/62/83/564066283.db2.gz IFKQDGXARVJYNZ-UHFFFAOYSA-N 0 0 330.834 5.082 40 0 EKABRN Fc1ccc(SCc2ccc(Br)cc2)cc1Cl ZINC000095733272 203767335 /nfs/dbraw/zinc/76/73/35/203767335.db2.gz JTGLPODASQLSGG-UHFFFAOYSA-N 0 0 331.637 5.534 40 0 EKABRN Fc1ccc(SCc2cccc(Br)c2)cc1Cl ZINC000095733274 564072962 /nfs/dbraw/zinc/07/29/62/564072962.db2.gz OBRNEIVUUYQXAC-UHFFFAOYSA-N 0 0 331.637 5.534 40 0 EKABRN Fc1ccc(SCc2ccccc2Br)cc1Cl ZINC000095733278 564072983 /nfs/dbraw/zinc/07/29/83/564072983.db2.gz KHGWOKAHSFAYAQ-UHFFFAOYSA-N 0 0 331.637 5.534 40 0 EKABRN Fc1ccc(SCc2ccc(Br)cc2F)cc1Cl ZINC000095733300 218446966 /nfs/dbraw/zinc/44/69/66/218446966.db2.gz XWFYVVMLJCKFJI-UHFFFAOYSA-N 0 0 349.627 5.673 40 0 EKABRN Fc1ccc(Br)c(CSc2ccc(F)c(Cl)c2)c1 ZINC000095733333 564072994 /nfs/dbraw/zinc/07/29/94/564072994.db2.gz FMKCVWXFKQPOLG-UHFFFAOYSA-N 0 0 349.627 5.673 40 0 EKABRN Fc1cc(Cl)cc(SCc2ccc(Br)cc2)c1 ZINC000095733338 564072964 /nfs/dbraw/zinc/07/29/64/564072964.db2.gz SIWXGUAXKBEUOV-UHFFFAOYSA-N 0 0 331.637 5.534 40 0 EKABRN Fc1cc(Cl)cc(SCc2cccc(Br)c2)c1 ZINC000095733342 564072967 /nfs/dbraw/zinc/07/29/67/564072967.db2.gz PPWCPJULAWALKW-UHFFFAOYSA-N 0 0 331.637 5.534 40 0 EKABRN Fc1cc(Cl)cc(SCc2ccccc2Br)c1 ZINC000095733345 218446801 /nfs/dbraw/zinc/44/68/01/218446801.db2.gz WKOKNYNJHQATPT-UHFFFAOYSA-N 0 0 331.637 5.534 40 0 EKABRN Fc1cc(Cl)cc(SCc2ccc(Br)cc2F)c1 ZINC000095733369 564073011 /nfs/dbraw/zinc/07/30/11/564073011.db2.gz YZEVRQJWKSVYNJ-UHFFFAOYSA-N 0 0 349.627 5.673 40 0 EKABRN Fc1ccc(Br)c(CSc2cc(F)cc(Cl)c2)c1 ZINC000095733400 564073037 /nfs/dbraw/zinc/07/30/37/564073037.db2.gz HPSJTDGVOOFXEW-UHFFFAOYSA-N 0 0 349.627 5.673 40 0 EKABRN Fc1cc(SCc2ccc(Br)cc2)ccc1Cl ZINC000095733405 564073006 /nfs/dbraw/zinc/07/30/06/564073006.db2.gz FKQKGEMYCXAFJQ-UHFFFAOYSA-N 0 0 331.637 5.534 40 0 EKABRN Fc1cc(SCc2cccc(Br)c2)ccc1Cl ZINC000095733408 218446748 /nfs/dbraw/zinc/44/67/48/218446748.db2.gz DWEIQFQSMLNIRV-UHFFFAOYSA-N 0 0 331.637 5.534 40 0 EKABRN Fc1cc(SCc2ccccc2Br)ccc1Cl ZINC000095733412 203766377 /nfs/dbraw/zinc/76/63/77/203766377.db2.gz OSIYIBUFYKMAFY-UHFFFAOYSA-N 0 0 331.637 5.534 40 0 EKABRN Fc1cc(SCc2ccc(Br)cc2F)ccc1Cl ZINC000095733429 564073003 /nfs/dbraw/zinc/07/30/03/564073003.db2.gz JHZHAECMUOJNQB-UHFFFAOYSA-N 0 0 349.627 5.673 40 0 EKABRN Fc1ccc(Br)c(CSc2ccc(Cl)c(F)c2)c1 ZINC000095733461 564073018 /nfs/dbraw/zinc/07/30/18/564073018.db2.gz KGQUXTWJGXXMJD-UHFFFAOYSA-N 0 0 349.627 5.673 40 0 EKABRN Fc1ccc(Br)c(CSc2ccc(Cl)cc2)c1 ZINC000095733485 203767354 /nfs/dbraw/zinc/76/73/54/203767354.db2.gz ICBPFHYBXAMKOI-UHFFFAOYSA-N 0 0 331.637 5.534 40 0 EKABRN Fc1cc(Br)ccc1CSc1cccc(Cl)c1 ZINC000095733504 218446626 /nfs/dbraw/zinc/44/66/26/218446626.db2.gz NDNBSKIGJDBQCB-UHFFFAOYSA-N 0 0 331.637 5.534 40 0 EKABRN Fc1ccc(Br)c(CSc2cccc(Cl)c2)c1 ZINC000095733537 564073029 /nfs/dbraw/zinc/07/30/29/564073029.db2.gz UNKXELXOCXARQY-UHFFFAOYSA-N 0 0 331.637 5.534 40 0 EKABRN Fc1ccc(Br)c(CSc2ccc(F)c(F)c2)c1 ZINC000095733587 203767262 /nfs/dbraw/zinc/76/72/62/203767262.db2.gz OHZRWDXNQPRSDD-UHFFFAOYSA-N 0 0 333.172 5.159 40 0 EKABRN Fc1cc(F)cc(SCc2ccc(Br)cc2F)c1 ZINC000095733616 564073016 /nfs/dbraw/zinc/07/30/16/564073016.db2.gz XTEYXMLSGNGPKX-UHFFFAOYSA-N 0 0 333.172 5.159 40 0 EKABRN Fc1ccc(Br)c(CSc2cc(F)cc(F)c2)c1 ZINC000095733648 564073004 /nfs/dbraw/zinc/07/30/04/564073004.db2.gz CFBDHXLWKOBPJB-UHFFFAOYSA-N 0 0 333.172 5.159 40 0 EKABRN FC(F)C(F)(F)Oc1cccc(-c2ccc(Br)cc2)c1 ZINC000095740179 564073036 /nfs/dbraw/zinc/07/30/36/564073036.db2.gz HUEVSMAMDIQVJM-UHFFFAOYSA-N 0 0 349.121 5.353 40 0 EKABRN FC(F)C(F)(F)Oc1cccc(-c2cccc(Br)c2)c1 ZINC000095740181 564073012 /nfs/dbraw/zinc/07/30/12/564073012.db2.gz KYCVEQGYPKCWCH-UHFFFAOYSA-N 0 0 349.121 5.353 40 0 EKABRN Fc1cc(-c2ccc(Br)cc2)ccc1OC(F)(F)F ZINC000095740188 564073017 /nfs/dbraw/zinc/07/30/17/564073017.db2.gz XLVNRPWLRKXNHU-UHFFFAOYSA-N 0 0 335.094 5.154 40 0 EKABRN Fc1cc(-c2cccc(Br)c2)ccc1OC(F)(F)F ZINC000095740189 218447680 /nfs/dbraw/zinc/44/76/80/218447680.db2.gz WWYJUYXIJDZLOC-UHFFFAOYSA-N 0 0 335.094 5.154 40 0 EKABRN Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1 ZINC000095830001 564092666 /nfs/dbraw/zinc/09/26/66/564092666.db2.gz ARZDANJGUJGWIO-UHFFFAOYSA-N 0 0 346.473 6.667 40 0 EKABRN c1ccc(-c2ncc3cc4c(cc3c2-c2ccccc2)OCO4)cc1 ZINC000095864794 203767863 /nfs/dbraw/zinc/76/78/63/203767863.db2.gz GMODXMZZVJOKNO-UHFFFAOYSA-N 0 0 325.367 5.298 40 0 EKABRN C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000095865002 218449453 /nfs/dbraw/zinc/44/94/53/218449453.db2.gz ZWJSLCYDYKYAGX-OBUPQJQESA-N 0 0 346.599 6.444 40 0 EKABRN Oc1ccc([C@@H]2CCc3ccccc32)cc1[C@@H]1CCc2ccccc21 ZINC000095869897 563977729 /nfs/dbraw/zinc/97/77/29/563977729.db2.gz DCUACKYSEIGHJH-FCHUYYIVSA-N 0 0 326.439 5.548 40 0 EKABRN Oc1ccc([C@H]2CCc3ccccc32)cc1[C@H]1CCc2ccccc21 ZINC000095869898 563977701 /nfs/dbraw/zinc/97/77/01/563977701.db2.gz DCUACKYSEIGHJH-YADHBBJMSA-N 0 0 326.439 5.548 40 0 EKABRN Oc1ccc([C@@H]2CCc3ccccc32)cc1[C@H]1CCc2ccccc21 ZINC000095869899 563977705 /nfs/dbraw/zinc/97/77/05/563977705.db2.gz DCUACKYSEIGHJH-VXKWHMMOSA-N 0 0 326.439 5.548 40 0 EKABRN CCCCC[C@@H](CC)OC(=O)c1ccccc1C(=O)OCCCC ZINC000095869921 563977719 /nfs/dbraw/zinc/97/77/19/563977719.db2.gz WGGPIODSUQZNTP-MRXNPFEDSA-N 0 0 334.456 5.159 40 0 EKABRN CCCCC[C@H](CC)OC(=O)c1ccccc1C(=O)OCCCC ZINC000095869922 563977712 /nfs/dbraw/zinc/97/77/12/563977712.db2.gz WGGPIODSUQZNTP-INIZCTEOSA-N 0 0 334.456 5.159 40 0 EKABRN Cc1cc(Br)ccc1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000095916665 564141892 /nfs/dbraw/zinc/14/18/92/564141892.db2.gz FWPVXTCBPCCELG-UHFFFAOYSA-N 0 0 344.035 5.295 40 0 EKABRN O=C(c1ccc(Oc2ccccc2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000095917306 564033143 /nfs/dbraw/zinc/03/31/43/564033143.db2.gz WWWAPYLBNIFTHA-UHFFFAOYSA-N 0 0 343.209 6.017 40 0 EKABRN CCCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)cc2)c(F)c1 ZINC000095931434 564141928 /nfs/dbraw/zinc/14/19/28/564141928.db2.gz XOGPWSCWTHCEKH-UHFFFAOYSA-N 0 0 344.351 6.530 40 0 EKABRN CCCc1ccc(-c2ccc(-c3ccc(F)c(F)c3)c(F)c2)cc1 ZINC000095931435 563977778 /nfs/dbraw/zinc/97/77/78/563977778.db2.gz MNDRQVSIWFDBFZ-UHFFFAOYSA-N 0 0 326.361 6.390 40 0 EKABRN S=c1[nH]c2ccc(Cl)c(Oc3cccc(Cl)c3Cl)c2[nH]1 ZINC000095933114 563977779 /nfs/dbraw/zinc/97/77/79/563977779.db2.gz BMIDBTFCJJFMJX-UHFFFAOYSA-N 0 0 345.638 5.978 40 0 EKABRN COc1cc(Nc2cc(C(F)(F)F)nc3ccccc32)cc(OC)c1 ZINC000095951528 564142367 /nfs/dbraw/zinc/14/23/67/564142367.db2.gz KZKPNXJGTLGKIM-UHFFFAOYSA-N 0 0 348.324 5.014 40 0 EKABRN Cc1cc(C)c(-c2cc3c(n2Cc2ccccc2)CCCC3)c(C)c1 ZINC000095951601 203773999 /nfs/dbraw/zinc/77/39/99/203773999.db2.gz XZYLOKNLBFGCLH-UHFFFAOYSA-N 0 0 329.487 6.007 40 0 EKABRN CC1(C)OC[C@]2(C[C@]34C[C@H]2CC[C@H]3[C@]2(C)CCCC(C)(C)[C@H]2CC4)O1 ZINC000096023683 203797041 /nfs/dbraw/zinc/79/70/41/203797041.db2.gz KIJYVQFJGWLPQH-NXKRBXPFSA-N 0 0 346.555 5.941 40 0 EKABRN CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC[C@H](C)O ZINC000096023980 564144869 /nfs/dbraw/zinc/14/48/69/564144869.db2.gz QWQYZEAVCOQEQB-YNLHEVEDSA-N 0 0 337.548 5.297 40 0 in-vitro EKABRN CC1(C)C(C(=O)c2cn(CCCCCF)c3cc(O)ccc23)C1(C)C ZINC000096024577 564144875 /nfs/dbraw/zinc/14/48/75/564144875.db2.gz OZGNIKIHSWKZFS-UHFFFAOYSA-N 0 0 345.458 5.352 40 0 in-vitro EKABRN CCCCCn1c2ccccc2nc1C(=O)c1cccc2ccccc21 ZINC000096024612 564144889 /nfs/dbraw/zinc/14/48/89/564144889.db2.gz ZJWSSWFQIOEVCU-UHFFFAOYSA-N 0 0 342.442 5.611 40 0 in-vitro EKABRN CC1(C)C(C(=O)c2cn(Cc3ccc(F)cc3)c3ccccc23)C1(C)C ZINC000096032896 564145082 /nfs/dbraw/zinc/14/50/82/564145082.db2.gz UXOFEILQVZFLRH-UHFFFAOYSA-N 0 0 349.449 5.694 40 0 in-vitro EKABRN Cc1ccccc1NC(=O)c1cc2c(c3ccccc3n2C)n1C(C)C ZINC000096037263 563977951 /nfs/dbraw/zinc/97/79/51/563977951.db2.gz OENNETYFUQUBCE-UHFFFAOYSA-N 0 0 345.446 5.275 40 0 EKABRN Cc1cccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C)c1 ZINC000096037340 218518708 /nfs/dbraw/zinc/51/87/08/218518708.db2.gz NLHHUSSNAHCIGA-UHFFFAOYSA-N 0 0 345.446 5.275 40 0 EKABRN CC(C)n1c2cc(C(=O)Nc3cccc(F)c3)n(C)c2c2ccccc21 ZINC000096037341 203797812 /nfs/dbraw/zinc/79/78/12/203797812.db2.gz LHASQRVGBBRQJN-UHFFFAOYSA-N 0 0 349.409 5.105 40 0 EKABRN Cc1ccccc1NC(=O)c1cc2c(c3ccccc3n2C(C)C)n1C ZINC000096037344 563977943 /nfs/dbraw/zinc/97/79/43/563977943.db2.gz DZOURDLORMWUPF-UHFFFAOYSA-N 0 0 345.446 5.275 40 0 EKABRN C1=C/[C@H]([C@H]2/C=C/CCCCCCCCC2)CCCCCCCCC/1 ZINC000096068440 563979003 /nfs/dbraw/zinc/97/90/03/563979003.db2.gz ZVQLJQKZIPBSRE-KJMRSUAVSA-N 0 0 330.600 8.380 40 0 EKABRN O=C(Cc1ccccc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000096283172 563980657 /nfs/dbraw/zinc/98/06/57/563980657.db2.gz SZIRHJGXOWJXHP-UHFFFAOYSA-N 0 0 348.151 5.193 40 0 EKABRN CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC[C@@H](C)O ZINC000096300369 564146646 /nfs/dbraw/zinc/14/66/46/564146646.db2.gz QWQYZEAVCOQEQB-FNUGXZCYSA-N 0 0 337.548 5.297 40 0 in-vitro EKABRN COc1ccc(Nc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1 ZINC000096305833 563980711 /nfs/dbraw/zinc/98/07/11/563980711.db2.gz DJCWUFKEBWWYTP-UHFFFAOYSA-N 0 0 341.414 5.357 40 0 EKABRN Cc1sc2ncnc(NCCc3ccccc3)c2c1-c1ccccc1 ZINC000096305893 563980688 /nfs/dbraw/zinc/98/06/88/563980688.db2.gz GSEDYDVOJNEJSI-UHFFFAOYSA-N 0 0 345.471 5.321 40 0 EKABRN CCOc1ccc(Nc2nc(-c3c(C)[nH]c4ccccc43)cs2)cc1 ZINC000096305948 563980720 /nfs/dbraw/zinc/98/07/20/563980720.db2.gz NJRQLDNJLNCGQJ-UHFFFAOYSA-N 0 0 349.459 5.742 40 0 EKABRN Cc1ccc(NC(=O)CCc2ccc(-c3ccccc3Cl)o2)cc1 ZINC000096306101 218742146 /nfs/dbraw/zinc/74/21/46/218742146.db2.gz CGSZQEJDMQYGRV-UHFFFAOYSA-N 0 0 339.822 5.480 40 0 EKABRN O=Cc1cc(-c2cc(Cl)ccc2OCc2ccccc2)ccc1O ZINC000096312909 564093437 /nfs/dbraw/zinc/09/34/37/564093437.db2.gz QMKLJYDTZIPSPY-UHFFFAOYSA-N 0 0 338.790 5.104 40 0 EKABRN O=Cc1cc(-c2ccc(OCc3ccccc3)c(Cl)c2)ccc1O ZINC000096312926 564093411 /nfs/dbraw/zinc/09/34/11/564093411.db2.gz ASCYWLIVSBAQIX-UHFFFAOYSA-N 0 0 338.790 5.104 40 0 EKABRN c1ccc(Nc2cccc(N(c3ccccc3)c3ccccc3)c2)cc1 ZINC000096336235 564002090 /nfs/dbraw/zinc/00/20/90/564002090.db2.gz SLWKZPBLYVPJKI-UHFFFAOYSA-N 0 0 336.438 6.900 40 0 EKABRN Cc1cccc(OCC(=O)Nc2ccccc2Oc2ccccc2)c1C ZINC000096459925 203892329 /nfs/dbraw/zinc/89/23/29/203892329.db2.gz WDCGZJHXDBDIKF-UHFFFAOYSA-N 0 0 347.414 5.113 40 0 EKABRN Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)c1 ZINC000096572748 563980869 /nfs/dbraw/zinc/98/08/69/563980869.db2.gz OWNPTGZJFYPRMH-UHFFFAOYSA-N 0 0 329.443 5.146 40 0 EKABRN Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C)c1 ZINC000096580843 563980875 /nfs/dbraw/zinc/98/08/75/563980875.db2.gz LFZWPQWMMSNBAT-UHFFFAOYSA-N 0 0 327.733 5.228 40 0 EKABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1)CCCC2 ZINC000096586439 218884849 /nfs/dbraw/zinc/88/48/49/218884849.db2.gz QOCYOVRKJGXXDA-UHFFFAOYSA-N 0 0 337.463 5.015 40 0 EKABRN CC(C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000096651924 563980929 /nfs/dbraw/zinc/98/09/29/563980929.db2.gz WXUSYMWUOPZATM-UHFFFAOYSA-N 0 0 340.810 5.371 40 0 EKABRN Cc1cc(C)c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c(C)c1 ZINC000096652037 563980951 /nfs/dbraw/zinc/98/09/51/563980951.db2.gz HKZZJHIADUJWIG-UHFFFAOYSA-N 0 0 340.810 5.173 40 0 EKABRN CC(C)(C)c1ccc(C(=O)CCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000096653605 564128672 /nfs/dbraw/zinc/12/86/72/564128672.db2.gz JMFOKWPVPJZTKT-UHFFFAOYSA-N 0 0 343.854 5.239 40 0 EKABRN CC(C)(C)c1ccc(C(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000096653734 564128671 /nfs/dbraw/zinc/12/86/71/564128671.db2.gz SNBQDFBASJLHHJ-UHFFFAOYSA-N 0 0 343.854 5.239 40 0 EKABRN Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1Cl ZINC000096654111 563980934 /nfs/dbraw/zinc/98/09/34/563980934.db2.gz GQRWPCAEFLJLMB-UHFFFAOYSA-N 0 0 347.201 5.209 40 0 EKABRN O=C(Nc1ccc(N2CCCCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000096655756 563980927 /nfs/dbraw/zinc/98/09/27/563980927.db2.gz GRBKABILXDHCOF-UHFFFAOYSA-N 0 0 348.490 5.127 40 0 EKABRN O=C(CCc1ccc(F)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000096655823 563980930 /nfs/dbraw/zinc/98/09/30/563980930.db2.gz AFBDGBBDUPCDLY-UHFFFAOYSA-N 0 0 335.378 5.189 40 0 EKABRN O=C(CCc1ccccc1F)Nc1ccc(Oc2ccccc2)cc1 ZINC000096655824 563980944 /nfs/dbraw/zinc/98/09/44/563980944.db2.gz LNWDETLXNOZMOL-UHFFFAOYSA-N 0 0 335.378 5.189 40 0 EKABRN O=C(CCc1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000096656402 563980920 /nfs/dbraw/zinc/98/09/20/563980920.db2.gz ZVUFLJXWDGXKGB-UHFFFAOYSA-N 0 0 345.723 5.069 40 0 EKABRN O=C(CCc1ccccc1F)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000096656403 563980928 /nfs/dbraw/zinc/98/09/28/563980928.db2.gz BJVKDTXOYQOFEV-UHFFFAOYSA-N 0 0 345.723 5.069 40 0 EKABRN O=C(Nc1cccc(Cl)c1Cl)C1(c2ccccc2)CCCC1 ZINC000096656967 563980938 /nfs/dbraw/zinc/98/09/38/563980938.db2.gz KWJHBCRWYSFJKN-UHFFFAOYSA-N 0 0 334.246 5.444 40 0 EKABRN CC(C)(Cc1ccccc1)NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000096761835 563981070 /nfs/dbraw/zinc/98/10/70/563981070.db2.gz ZAXRUPOAZXFNHW-PKNBQFBNSA-N 0 0 348.273 5.144 40 0 EKABRN CCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21 ZINC000096938008 564051361 /nfs/dbraw/zinc/05/13/61/564051361.db2.gz NZEVKZAEMSMLMC-UHFFFAOYSA-N 0 0 348.490 5.611 40 0 EKABRN CCCOc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@H](OC)[C@@]3(C)CC[C@H]21 ZINC000097975791 563968397 /nfs/dbraw/zinc/96/83/97/563968397.db2.gz IUWKNLFTJBHTSD-YXIAPDDASA-N 0 0 328.496 5.347 40 0 EKABRN CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCOC(C)=O ZINC000098045326 219073960 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ZINC000106964367 564015116 /nfs/dbraw/zinc/01/51/16/564015116.db2.gz ABIWVPDCBPOPGA-UHFFFAOYSA-N 0 0 348.284 5.467 40 0 EKABRN CCCOc1c(Cl)cc(CNc2ccc(OC)cc2)cc1Cl ZINC000106965079 564015113 /nfs/dbraw/zinc/01/51/13/564015113.db2.gz LQFJLDQSBLTHII-UHFFFAOYSA-N 0 0 340.250 5.403 40 0 EKABRN CCCOc1c(Cl)cc(CNc2ccc(C)c(C)c2)cc1Cl ZINC000106965176 564015093 /nfs/dbraw/zinc/01/50/93/564015093.db2.gz XISACRDSAJQBQH-UHFFFAOYSA-N 0 0 338.278 6.011 40 0 EKABRN CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OC ZINC000106970844 564015118 /nfs/dbraw/zinc/01/51/18/564015118.db2.gz JUDACGUDRAKREF-UHFFFAOYSA-N 0 0 340.250 5.321 40 0 EKABRN Cc1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1Cl ZINC000106970895 564015108 /nfs/dbraw/zinc/01/51/08/564015108.db2.gz ODLBEIJLNUMQIR-UHFFFAOYSA-N 0 0 337.850 5.840 40 0 EKABRN CCOc1ccc(Cl)cc1CNc1ccc(Cl)cc1Cl ZINC000106970956 257865707 /nfs/dbraw/zinc/86/57/07/257865707.db2.gz SLHLYAPDUAEBBL-UHFFFAOYSA-N 0 0 330.642 5.658 40 0 EKABRN CCOc1c(Cl)cc(CNc2ccc(C)c(Cl)c2)cc1OC ZINC000106971100 564015098 /nfs/dbraw/zinc/01/50/98/564015098.db2.gz DCIBKNDJYAYNNX-UHFFFAOYSA-N 0 0 340.250 5.321 40 0 EKABRN COc1c(Cl)cc(Cl)cc1CNc1ccc(C)c(Cl)c1 ZINC000106971145 564015121 /nfs/dbraw/zinc/01/51/21/564015121.db2.gz SXXKUEHJSZIINF-UHFFFAOYSA-N 0 0 330.642 5.576 40 0 EKABRN CCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)c(Cl)c1 ZINC000106971503 564015114 /nfs/dbraw/zinc/01/51/14/564015114.db2.gz KJJTUMXFHXVEJO-UHFFFAOYSA-N 0 0 344.669 5.966 40 0 EKABRN Cc1ccc(NCc2ccccc2OCc2ccccc2)cc1Cl ZINC000106971966 564015107 /nfs/dbraw/zinc/01/51/07/564015107.db2.gz QQNITRWNQOOAIR-UHFFFAOYSA-N 0 0 337.850 5.840 40 0 EKABRN CCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1OCC ZINC000106972034 564015111 /nfs/dbraw/zinc/01/51/11/564015111.db2.gz RBUVAKKQUYAHLC-UHFFFAOYSA-N 0 0 340.250 5.403 40 0 EKABRN CCOc1ccc2ccccc2c1CNc1ccc(C)c(Cl)c1 ZINC000106972037 564015112 /nfs/dbraw/zinc/01/51/12/564015112.db2.gz XVDSQPOQIXEHTK-UHFFFAOYSA-N 0 0 325.839 5.812 40 0 EKABRN CCOc1ccc2ccccc2c1CNc1ccc(Cl)cc1Cl ZINC000106972041 564015103 /nfs/dbraw/zinc/01/51/03/564015103.db2.gz HBDBBUCPQYNAHS-UHFFFAOYSA-N 0 0 346.257 6.157 40 0 EKABRN Cc1ccc(NCc2cccc(OCc3ccccc3)c2)cc1Cl ZINC000106972111 564015104 /nfs/dbraw/zinc/01/51/04/564015104.db2.gz KKTSXJBFAHNYKX-UHFFFAOYSA-N 0 0 337.850 5.840 40 0 EKABRN COc1ccc(NCc2cccc(OCc3ccc(C)cc3)c2)cc1 ZINC000106974447 564015099 /nfs/dbraw/zinc/01/50/99/564015099.db2.gz XJYFNRQSYUEPEF-UHFFFAOYSA-N 0 0 333.431 5.195 40 0 EKABRN Cc1ccc(COc2cccc(CNc3ccc(C)c(C)c3)c2)cc1 ZINC000106974533 564015128 /nfs/dbraw/zinc/01/51/28/564015128.db2.gz XCRMKDRWWQFGMU-UHFFFAOYSA-N 0 0 331.459 5.803 40 0 EKABRN Cc1ccc(COc2ccccc2CNc2ccc(Cl)cc2)cc1 ZINC000106974660 564015147 /nfs/dbraw/zinc/01/51/47/564015147.db2.gz HYXNMKRNKYVSNH-UHFFFAOYSA-N 0 0 337.850 5.840 40 0 EKABRN COc1ccc(NCc2ccccc2OCc2ccc(C)cc2)cc1 ZINC000106974743 564015149 /nfs/dbraw/zinc/01/51/49/564015149.db2.gz BGEWMABNWSQQDB-UHFFFAOYSA-N 0 0 333.431 5.195 40 0 EKABRN Cc1ccc(COc2ccccc2CNc2ccc(C)c(C)c2)cc1 ZINC000106974821 564015146 /nfs/dbraw/zinc/01/51/46/564015146.db2.gz HVBXZQIKZSGQGB-UHFFFAOYSA-N 0 0 331.459 5.803 40 0 EKABRN Cc1ccc(COc2ccc(CNc3ccc(Cl)cc3)cc2)cc1 ZINC000106974931 564015153 /nfs/dbraw/zinc/01/51/53/564015153.db2.gz VBFLJTCUTJSOQH-UHFFFAOYSA-N 0 0 337.850 5.840 40 0 EKABRN COc1ccc(NCc2ccc(OCc3ccc(C)cc3)cc2)cc1 ZINC000106975029 564015132 /nfs/dbraw/zinc/01/51/32/564015132.db2.gz VWHZZJIRHBEGAU-UHFFFAOYSA-N 0 0 333.431 5.195 40 0 EKABRN Cc1ccc(COc2ccc(CNc3ccc(C)c(C)c3)cc2)cc1 ZINC000106975133 257865762 /nfs/dbraw/zinc/86/57/62/257865762.db2.gz ALXNDIIGIZMVMF-UHFFFAOYSA-N 0 0 331.459 5.803 40 0 EKABRN CCOc1cc(CNc2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000106975389 564015134 /nfs/dbraw/zinc/01/51/34/564015134.db2.gz BDJDEGMNBCAAGH-UHFFFAOYSA-N 0 0 347.458 5.585 40 0 EKABRN COc1c(Cl)cc(CNc2ccc(C)c(Cl)c2)cc1Cl ZINC000106975626 257865844 /nfs/dbraw/zinc/86/58/44/257865844.db2.gz ABBSJPNEMXYJDY-UHFFFAOYSA-N 0 0 330.642 5.576 40 0 EKABRN COc1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1Cl ZINC000106975705 257865672 /nfs/dbraw/zinc/86/56/72/257865672.db2.gz MRLSZKBUHZHPFP-UHFFFAOYSA-N 0 0 334.605 5.407 40 0 EKABRN CCCOc1ccc(Cl)cc1CNc1ccc(Cl)c(Cl)c1 ZINC000106975775 564015124 /nfs/dbraw/zinc/01/51/24/564015124.db2.gz DMPQNPKIVZHVRI-UHFFFAOYSA-N 0 0 344.669 6.048 40 0 EKABRN CCCOc1ccc(Cl)cc1CNc1ccc(Cl)cc1Cl ZINC000106976136 257865834 /nfs/dbraw/zinc/86/58/34/257865834.db2.gz ISGFPUTXIMXJKK-UHFFFAOYSA-N 0 0 344.669 6.048 40 0 EKABRN CCCOc1ccc(Cl)cc1CNc1ccc(F)c(Cl)c1 ZINC000106976209 564015130 /nfs/dbraw/zinc/01/51/30/564015130.db2.gz GEIIMMNWXTZWPU-UHFFFAOYSA-N 0 0 328.214 5.533 40 0 EKABRN Cc1ccc(NCc2ccc(OCc3cccc(Cl)c3)cc2)cc1 ZINC000106976926 564015127 /nfs/dbraw/zinc/01/51/27/564015127.db2.gz UPJLXLHGECUTKV-UHFFFAOYSA-N 0 0 337.850 5.840 40 0 EKABRN Fc1ccc(NCc2ccc(OCc3cccc(Cl)c3)cc2)cc1 ZINC000106977719 257865701 /nfs/dbraw/zinc/86/57/01/257865701.db2.gz GUKPTDIGRDDGLV-UHFFFAOYSA-N 0 0 341.813 5.670 40 0 EKABRN Fc1ccc(NCc2ccc(OCc3ccccc3)c(Cl)c2)cc1 ZINC000106978811 564015126 /nfs/dbraw/zinc/01/51/26/564015126.db2.gz CHFGRPKTVREFIV-UHFFFAOYSA-N 0 0 341.813 5.670 40 0 EKABRN CCOc1ccc(CNc2ccc(Br)cc2)cc1Cl ZINC000106979399 564015148 /nfs/dbraw/zinc/01/51/48/564015148.db2.gz GDNWNDBUSBTKLJ-UHFFFAOYSA-N 0 0 340.648 5.113 40 0 EKABRN CCOc1c(Cl)cc(CNc2ccc(OC)cc2)cc1Cl ZINC000106979569 257865836 /nfs/dbraw/zinc/86/58/36/257865836.db2.gz ATFIGINWTAUYBG-UHFFFAOYSA-N 0 0 326.223 5.013 40 0 EKABRN CCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1Cl ZINC000106979728 564015133 /nfs/dbraw/zinc/01/51/33/564015133.db2.gz BVVFSNSPKOUPGA-UHFFFAOYSA-N 0 0 330.642 5.658 40 0 EKABRN Cc1ccc(NCc2ccc(OCc3ccccc3)c(Cl)c2)cc1 ZINC000106979859 564015141 /nfs/dbraw/zinc/01/51/41/564015141.db2.gz WBFBTZKNZLQERY-UHFFFAOYSA-N 0 0 337.850 5.840 40 0 EKABRN CCOc1ccc(CNc2ccc(C)c(C)c2)cc1Br ZINC000106979945 257865850 /nfs/dbraw/zinc/86/58/50/257865850.db2.gz URTNPPMUJWOTLZ-UHFFFAOYSA-N 0 0 334.257 5.077 40 0 EKABRN CCOc1c(Cl)cc(CNc2ccc(C)c(Cl)c2)cc1Cl ZINC000106980010 257865736 /nfs/dbraw/zinc/86/57/36/257865736.db2.gz BWMDJGWIJKSZBN-UHFFFAOYSA-N 0 0 344.669 5.966 40 0 EKABRN CCOc1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1Cl ZINC000106980120 564015144 /nfs/dbraw/zinc/01/51/44/564015144.db2.gz PRLXNZNMCBZGHV-UHFFFAOYSA-N 0 0 348.632 5.797 40 0 EKABRN Cc1ccc(COc2ccc(Cl)cc2CNc2ccccc2)cc1 ZINC000106982839 564015140 /nfs/dbraw/zinc/01/51/40/564015140.db2.gz JOCSZYCIFVNANW-UHFFFAOYSA-N 0 0 337.850 5.840 40 0 EKABRN CC(C)Oc1ccc2ccccc2c1CNc1ccc(F)c(Cl)c1 ZINC000106989978 564015136 /nfs/dbraw/zinc/01/51/36/564015136.db2.gz HOZYKFVRYTYVIK-UHFFFAOYSA-N 0 0 343.829 6.032 40 0 EKABRN CCCOc1c(Cl)cc(Cl)cc1CNc1ccc(OC)cc1 ZINC000106992440 257865582 /nfs/dbraw/zinc/86/55/82/257865582.db2.gz OPWOOHGSDWTFLJ-UHFFFAOYSA-N 0 0 340.250 5.403 40 0 EKABRN CCCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)c(C)c1 ZINC000106992444 564015129 /nfs/dbraw/zinc/01/51/29/564015129.db2.gz ULPWADXOYPSYLC-UHFFFAOYSA-N 0 0 338.278 6.011 40 0 EKABRN CCCOc1ccc2ccccc2c1CNc1ccc(F)c(Cl)c1 ZINC000106992460 564015125 /nfs/dbraw/zinc/01/51/25/564015125.db2.gz WCRHKXCZCIQTLX-UHFFFAOYSA-N 0 0 343.829 6.033 40 0 EKABRN CCCOc1c(Cl)cc(CNc2ccc(C)cc2)cc1OCC ZINC000106993158 564015131 /nfs/dbraw/zinc/01/51/31/564015131.db2.gz JHRCTEUPPHEJFS-UHFFFAOYSA-N 0 0 333.859 5.448 40 0 EKABRN CCCOc1c(Cl)cc(CNc2ccc(OC)cc2)cc1OCC ZINC000106993348 564015145 /nfs/dbraw/zinc/01/51/45/564015145.db2.gz JGQJHIXCBOHBBT-UHFFFAOYSA-N 0 0 349.858 5.148 40 0 EKABRN CCCOc1c(Cl)cc(CNc2ccc(C)c(C)c2)cc1OCC ZINC000106993432 564015135 /nfs/dbraw/zinc/01/51/35/564015135.db2.gz UKRSVMNQBQELQH-UHFFFAOYSA-N 0 0 347.886 5.756 40 0 EKABRN CCCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1OC ZINC000106993501 257865507 /nfs/dbraw/zinc/86/55/07/257865507.db2.gz TUUHEBJNJMZYQF-UHFFFAOYSA-N 0 0 340.250 5.403 40 0 EKABRN CCCOc1c(Cl)cc(CNc2ccc(C)c(C)c2)cc1OC ZINC000106993906 564015186 /nfs/dbraw/zinc/01/51/86/564015186.db2.gz WJYOFTZEEOKWHZ-UHFFFAOYSA-N 0 0 333.859 5.366 40 0 EKABRN CCCOc1ccc(CNc2ccc(F)c(Cl)c2)cc1OCC ZINC000106995432 564015155 /nfs/dbraw/zinc/01/51/55/564015155.db2.gz VCPBCWJMWDGYND-UHFFFAOYSA-N 0 0 337.822 5.279 40 0 EKABRN CCCOc1ccc(CNc2ccc(C)c(Cl)c2)cc1OCC ZINC000106995441 564015167 /nfs/dbraw/zinc/01/51/67/564015167.db2.gz NUJPZVMETDARKB-UHFFFAOYSA-N 0 0 333.859 5.448 40 0 EKABRN Fc1ccc(NCc2ccccc2OCc2cccc(Cl)c2)cc1 ZINC000107020291 564015231 /nfs/dbraw/zinc/01/52/31/564015231.db2.gz CMOZWRLUBBDDIZ-UHFFFAOYSA-N 0 0 341.813 5.670 40 0 EKABRN Cc1ccc(NCc2ccccc2OCc2cccc(Cl)c2)cc1 ZINC000107021234 564015253 /nfs/dbraw/zinc/01/52/53/564015253.db2.gz PPNQLSSMAQHDCO-UHFFFAOYSA-N 0 0 337.850 5.840 40 0 EKABRN Cc1ccc(NCc2cccc(OCc3cccc(Cl)c3)c2)cc1 ZINC000107024142 257865542 /nfs/dbraw/zinc/86/55/42/257865542.db2.gz RRVRZCJCBOSDFS-UHFFFAOYSA-N 0 0 337.850 5.840 40 0 EKABRN Fc1ccc(NCc2cccc(OCc3cccc(Cl)c3)c2)cc1 ZINC000107025113 564015246 /nfs/dbraw/zinc/01/52/46/564015246.db2.gz JTZWCRSPSOHDLN-UHFFFAOYSA-N 0 0 341.813 5.670 40 0 EKABRN Fc1ccc(COc2cccc(CNc3ccc(Cl)cc3)c2)cc1 ZINC000107026949 564015252 /nfs/dbraw/zinc/01/52/52/564015252.db2.gz BTNRFVGRJBIWIK-UHFFFAOYSA-N 0 0 341.813 5.670 40 0 EKABRN Fc1ccc(NCc2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000107027008 564015242 /nfs/dbraw/zinc/01/52/42/564015242.db2.gz CHOMQWQUTJBDRB-UHFFFAOYSA-N 0 0 341.813 5.670 40 0 EKABRN COc1ccc(NCc2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000107027039 564015243 /nfs/dbraw/zinc/01/52/43/564015243.db2.gz YYYLKCSXNRCIBE-UHFFFAOYSA-N 0 0 337.394 5.025 40 0 EKABRN Cc1ccc(NCc2cccc(OCc3ccc(F)cc3)c2)cc1C ZINC000107027117 257865501 /nfs/dbraw/zinc/86/55/01/257865501.db2.gz VHNAGMKSOZEONB-UHFFFAOYSA-N 0 0 335.422 5.634 40 0 EKABRN Fc1ccc(NCc2cccc(OCc3ccccc3F)c2)cc1 ZINC000107027134 564015250 /nfs/dbraw/zinc/01/52/50/564015250.db2.gz FXNGNVYAIDNDDY-UHFFFAOYSA-N 0 0 325.358 5.156 40 0 EKABRN Fc1ccc(NCc2ccccc2OCc2ccccc2)cc1Cl ZINC000107027151 564015228 /nfs/dbraw/zinc/01/52/28/564015228.db2.gz NYMFUNXETUZDEP-UHFFFAOYSA-N 0 0 341.813 5.670 40 0 EKABRN Fc1ccc(COc2cccc(CNc3ccc(F)cc3)c2)cc1 ZINC000107027474 257865248 /nfs/dbraw/zinc/86/52/48/257865248.db2.gz DKTHHWXDBCWSAY-UHFFFAOYSA-N 0 0 325.358 5.156 40 0 EKABRN Cc1ccc(NCc2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000107027551 257865089 /nfs/dbraw/zinc/86/50/89/257865089.db2.gz KBYPDJQZQVVKAL-UHFFFAOYSA-N 0 0 337.850 5.840 40 0 EKABRN Fc1ccccc1COc1cccc(CNc2ccc(Cl)cc2)c1 ZINC000107028065 564015234 /nfs/dbraw/zinc/01/52/34/564015234.db2.gz UEZAHGRXQRNBGF-UHFFFAOYSA-N 0 0 341.813 5.670 40 0 EKABRN Fc1ccc(NCc2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000107028237 257865020 /nfs/dbraw/zinc/86/50/20/257865020.db2.gz JZOPZOMJPLDETO-UHFFFAOYSA-N 0 0 341.813 5.670 40 0 EKABRN COc1ccc(NCc2cccc(OCc3ccccc3F)c2)cc1 ZINC000107028264 564015227 /nfs/dbraw/zinc/01/52/27/564015227.db2.gz INPVDOJUHJQAMZ-UHFFFAOYSA-N 0 0 337.394 5.025 40 0 EKABRN Cc1ccc(NCc2cccc(OCc3ccccc3F)c2)cc1C ZINC000107028268 257865090 /nfs/dbraw/zinc/86/50/90/257865090.db2.gz HDZQAHHWAALVKX-UHFFFAOYSA-N 0 0 335.422 5.634 40 0 EKABRN Fc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000107030446 564015257 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OLSILWJFLOGDEC-HXUWFJFHSA-N 0 0 339.479 5.170 40 0 EKABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(C)C)cc1 ZINC000222883190 564038244 /nfs/dbraw/zinc/03/82/44/564038244.db2.gz FEOZIMWQGUFLKT-FQEVSTJZSA-N 0 0 325.452 5.169 40 0 EKABRN CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(C)C)cc1 ZINC000222883659 564038245 /nfs/dbraw/zinc/03/82/45/564038245.db2.gz FEOZIMWQGUFLKT-HXUWFJFHSA-N 0 0 325.452 5.169 40 0 EKABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000222885205 564038250 /nfs/dbraw/zinc/03/82/50/564038250.db2.gz OLQWLIBHDSTPCQ-FQEVSTJZSA-N 0 0 339.479 5.477 40 0 EKABRN CCc1ccc(O[C@H](CC)C(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000222885255 564038252 /nfs/dbraw/zinc/03/82/52/564038252.db2.gz OLQWLIBHDSTPCQ-HXUWFJFHSA-N 0 0 339.479 5.477 40 0 EKABRN CCCCc1ccc(NC(=O)[C@@H](CC)Oc2ccc(CC)cc2)cc1 ZINC000222885635 564038266 /nfs/dbraw/zinc/03/82/66/564038266.db2.gz BGJJBSYWIZXINH-OAQYLSRUSA-N 0 0 339.479 5.388 40 0 EKABRN CCCCc1ccc(NC(=O)[C@H](CC)Oc2ccc(CC)cc2)cc1 ZINC000222885702 564038255 /nfs/dbraw/zinc/03/82/55/564038255.db2.gz BGJJBSYWIZXINH-NRFANRHFSA-N 0 0 339.479 5.388 40 0 EKABRN O=C(CCc1cccc2ccccc21)NCc1cccc2ccccc21 ZINC000222890500 241575841 /nfs/dbraw/zinc/57/58/41/241575841.db2.gz SUVNOTVQTLIYKL-UHFFFAOYSA-N 0 0 339.438 5.242 40 0 EKABRN CCSc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(CC)cc1 ZINC000222896765 564038331 /nfs/dbraw/zinc/03/83/31/564038331.db2.gz IBXMGDKDORFMII-GOSISDBHSA-N 0 0 343.492 5.157 40 0 EKABRN CCSc1ccccc1NC(=O)[C@H](CC)Oc1ccc(CC)cc1 ZINC000222896829 564038328 /nfs/dbraw/zinc/03/83/28/564038328.db2.gz IBXMGDKDORFMII-SFHVURJKSA-N 0 0 343.492 5.157 40 0 EKABRN COc1cc(C)c(C(=O)NCc2cccc3ccccc32)cc1C(C)C ZINC000222899173 241575688 /nfs/dbraw/zinc/57/56/88/241575688.db2.gz AUGVUYQAWAIEQE-UHFFFAOYSA-N 0 0 347.458 5.210 40 0 EKABRN C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 ZINC000222900810 564038305 /nfs/dbraw/zinc/03/83/05/564038305.db2.gz BAZJEFLIAOWOJC-MRXNPFEDSA-N 0 0 335.491 5.354 40 0 EKABRN C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 ZINC000222900881 241575314 /nfs/dbraw/zinc/57/53/14/241575314.db2.gz BAZJEFLIAOWOJC-INIZCTEOSA-N 0 0 335.491 5.354 40 0 EKABRN C[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc2c(c1)CCCC2 ZINC000222901584 564038323 /nfs/dbraw/zinc/03/83/23/564038323.db2.gz CSSDSPYCBYVVDH-RDRICISKSA-N 0 0 339.866 5.109 40 0 EKABRN C[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc2c(c1)CCCC2 ZINC000222901657 564038303 /nfs/dbraw/zinc/03/83/03/564038303.db2.gz CSSDSPYCBYVVDH-LHNRBYRGSA-N 0 0 339.866 5.109 40 0 EKABRN C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000222902831 564038311 /nfs/dbraw/zinc/03/83/11/564038311.db2.gz YKJQDQZKUCBBOP-XETPBLJFSA-N 0 0 339.866 5.109 40 0 EKABRN C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000222902888 564038316 /nfs/dbraw/zinc/03/83/16/564038316.db2.gz YKJQDQZKUCBBOP-NRUITVPNSA-N 0 0 339.866 5.109 40 0 EKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000222904093 564038322 /nfs/dbraw/zinc/03/83/22/564038322.db2.gz QSGJIRRGJWAQLF-OXJNMPFZSA-N 0 0 339.479 5.019 40 0 EKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000222904158 564038314 /nfs/dbraw/zinc/03/83/14/564038314.db2.gz QSGJIRRGJWAQLF-JXFKEZNVSA-N 0 0 339.479 5.019 40 0 EKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccccc1 ZINC000222904221 564038347 /nfs/dbraw/zinc/03/83/47/564038347.db2.gz QSGJIRRGJWAQLF-OXQOHEQNSA-N 0 0 339.479 5.019 40 0 EKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccccc1 ZINC000222904297 536044359 /nfs/dbraw/zinc/04/43/59/536044359.db2.gz QSGJIRRGJWAQLF-UZLBHIALSA-N 0 0 339.479 5.019 40 0 EKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C)cc1C ZINC000222904833 564038339 /nfs/dbraw/zinc/03/83/39/564038339.db2.gz PEIIHRYFYYRGLS-HXUWFJFHSA-N 0 0 339.479 5.397 40 0 EKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C)cc1C ZINC000222904900 564038359 /nfs/dbraw/zinc/03/83/59/564038359.db2.gz PEIIHRYFYYRGLS-FQEVSTJZSA-N 0 0 339.479 5.397 40 0 EKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C)ccc1C ZINC000222904978 564038338 /nfs/dbraw/zinc/03/83/38/564038338.db2.gz HPJAEDOAWGYNDS-HXUWFJFHSA-N 0 0 339.479 5.397 40 0 EKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C)ccc1C ZINC000222905044 564038335 /nfs/dbraw/zinc/03/83/35/564038335.db2.gz HPJAEDOAWGYNDS-FQEVSTJZSA-N 0 0 339.479 5.397 40 0 EKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1c(C)cccc1C ZINC000222905126 564038342 /nfs/dbraw/zinc/03/83/42/564038342.db2.gz VMGDOYIJXQGYLB-LJQANCHMSA-N 0 0 339.479 5.397 40 0 EKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1c(C)cccc1C ZINC000222905186 564038361 /nfs/dbraw/zinc/03/83/61/564038361.db2.gz VMGDOYIJXQGYLB-IBGZPJMESA-N 0 0 339.479 5.397 40 0 EKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C)cc(C)c1 ZINC000222905264 564038357 /nfs/dbraw/zinc/03/83/57/564038357.db2.gz SFOLMFJLFTWMML-HXUWFJFHSA-N 0 0 339.479 5.397 40 0 EKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C)cc(C)c1 ZINC000222905329 536044521 /nfs/dbraw/zinc/04/45/21/536044521.db2.gz SFOLMFJLFTWMML-FQEVSTJZSA-N 0 0 339.479 5.397 40 0 EKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C)c(C)c1 ZINC000222905417 564038356 /nfs/dbraw/zinc/03/83/56/564038356.db2.gz LOBVTAGLPQQVQN-HXUWFJFHSA-N 0 0 339.479 5.397 40 0 EKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C)c(C)c1 ZINC000222905469 564038358 /nfs/dbraw/zinc/03/83/58/564038358.db2.gz LOBVTAGLPQQVQN-FQEVSTJZSA-N 0 0 339.479 5.397 40 0 EKABRN CCc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1 ZINC000222905554 535959144 /nfs/dbraw/zinc/95/91/44/535959144.db2.gz YSEUSOUXQREYMS-HXUWFJFHSA-N 0 0 339.479 5.343 40 0 EKABRN CCc1ccccc1NC(=O)[C@H](CC)Oc1ccc(C(C)(C)C)cc1 ZINC000222905622 564038336 /nfs/dbraw/zinc/03/83/36/564038336.db2.gz YSEUSOUXQREYMS-FQEVSTJZSA-N 0 0 339.479 5.343 40 0 EKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1Cl ZINC000222905854 564038343 /nfs/dbraw/zinc/03/83/43/564038343.db2.gz AMGSUOMTUCEWTR-GOSISDBHSA-N 0 0 345.870 5.434 40 0 EKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1Cl ZINC000222905921 564038345 /nfs/dbraw/zinc/03/83/45/564038345.db2.gz AMGSUOMTUCEWTR-SFHVURJKSA-N 0 0 345.870 5.434 40 0 EKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000222906027 564038332 /nfs/dbraw/zinc/03/83/32/564038332.db2.gz UEPQFFWNMKBMCS-GOSISDBHSA-N 0 0 345.870 5.434 40 0 EKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000222906090 564038349 /nfs/dbraw/zinc/03/83/49/564038349.db2.gz UEPQFFWNMKBMCS-SFHVURJKSA-N 0 0 345.870 5.434 40 0 EKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000222906194 564038350 /nfs/dbraw/zinc/03/83/50/564038350.db2.gz ANRVTGSIOIAUGT-GOSISDBHSA-N 0 0 345.870 5.434 40 0 EKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000222906238 564038348 /nfs/dbraw/zinc/03/83/48/564038348.db2.gz ANRVTGSIOIAUGT-SFHVURJKSA-N 0 0 345.870 5.434 40 0 EKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(C)c1C ZINC000222909523 535817687 /nfs/dbraw/zinc/81/76/87/535817687.db2.gz FLMAJOYPTPHXIM-HXUWFJFHSA-N 0 0 339.479 5.397 40 0 EKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(C)c1C ZINC000222909571 564038382 /nfs/dbraw/zinc/03/83/82/564038382.db2.gz FLMAJOYPTPHXIM-FQEVSTJZSA-N 0 0 339.479 5.397 40 0 EKABRN CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000222909672 564038385 /nfs/dbraw/zinc/03/83/85/564038385.db2.gz WYTXNBIVOKCRQN-HXUWFJFHSA-N 0 0 339.479 5.343 40 0 EKABRN CCc1ccc(NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000222909734 564038369 /nfs/dbraw/zinc/03/83/69/564038369.db2.gz WYTXNBIVOKCRQN-FQEVSTJZSA-N 0 0 339.479 5.343 40 0 EKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC1=CCCCC1 ZINC000222916871 564038397 /nfs/dbraw/zinc/03/83/97/564038397.db2.gz ILTCDYCPGAOQFQ-HXUWFJFHSA-N 0 0 343.511 5.148 40 0 EKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC1=CCCCC1 ZINC000222916927 564038395 /nfs/dbraw/zinc/03/83/95/564038395.db2.gz ILTCDYCPGAOQFQ-FQEVSTJZSA-N 0 0 343.511 5.148 40 0 EKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F ZINC000222917718 564038408 /nfs/dbraw/zinc/03/84/08/564038408.db2.gz PSSUNEMVQOUZJJ-GOSISDBHSA-N 0 0 347.405 5.058 40 0 EKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F ZINC000222917776 564038402 /nfs/dbraw/zinc/03/84/02/564038402.db2.gz PSSUNEMVQOUZJJ-SFHVURJKSA-N 0 0 347.405 5.058 40 0 EKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000222922548 564038396 /nfs/dbraw/zinc/03/83/96/564038396.db2.gz QRBQCULFQBWOPP-GOSISDBHSA-N 0 0 347.405 5.058 40 0 EKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000222922607 564038407 /nfs/dbraw/zinc/03/84/07/564038407.db2.gz QRBQCULFQBWOPP-SFHVURJKSA-N 0 0 347.405 5.058 40 0 EKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCCCCCC1 ZINC000222926178 564038420 /nfs/dbraw/zinc/03/84/20/564038420.db2.gz SFOYXXJTIUCYPH-HXUWFJFHSA-N 0 0 345.527 5.371 40 0 EKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCCCCCC1 ZINC000222926240 564038414 /nfs/dbraw/zinc/03/84/14/564038414.db2.gz SFOYXXJTIUCYPH-FQEVSTJZSA-N 0 0 345.527 5.371 40 0 EKABRN CC(C)(C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000222932738 564038413 /nfs/dbraw/zinc/03/84/13/564038413.db2.gz FVMIUDQTSMVKEL-UHFFFAOYSA-N 0 0 337.463 5.200 40 0 EKABRN O=C(Nc1ccc2sncc2c1)C(c1ccccc1)c1ccccc1 ZINC000222935042 564038412 /nfs/dbraw/zinc/03/84/12/564038412.db2.gz SICPWLIAQYAATP-UHFFFAOYSA-N 0 0 344.439 5.067 40 0 EKABRN Cc1ccc(N(C)C(=O)C(c2ccccc2)c2ccccc2)cc1C ZINC000222936294 241578483 /nfs/dbraw/zinc/57/84/83/241578483.db2.gz ALYZFOWDMBSJDL-UHFFFAOYSA-N 0 0 329.443 5.098 40 0 EKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000222939080 564038440 /nfs/dbraw/zinc/03/84/40/564038440.db2.gz JMKNGOAWEDMGQU-AWEZNQCLSA-N 0 0 331.843 5.178 40 0 EKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000222939139 564038448 /nfs/dbraw/zinc/03/84/48/564038448.db2.gz JMKNGOAWEDMGQU-CQSZACIVSA-N 0 0 331.843 5.178 40 0 EKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc2ccccc21 ZINC000222944932 564038447 /nfs/dbraw/zinc/03/84/47/564038447.db2.gz BPSRMONJKLOJJB-HXUWFJFHSA-N 0 0 333.431 5.253 40 0 EKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc2ccccc21 ZINC000222944988 536045615 /nfs/dbraw/zinc/04/56/15/536045615.db2.gz BPSRMONJKLOJJB-FQEVSTJZSA-N 0 0 333.431 5.253 40 0 EKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(Cl)cc1C ZINC000222949329 564038490 /nfs/dbraw/zinc/03/84/90/564038490.db2.gz ODYHLYOGRNJQIY-QGZVFWFLSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(Cl)cc1C ZINC000222949385 564038503 /nfs/dbraw/zinc/03/85/03/564038503.db2.gz ODYHLYOGRNJQIY-KRWDZBQOSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1C ZINC000222949466 535817845 /nfs/dbraw/zinc/81/78/45/535817845.db2.gz PXVCFTAKZMZDOQ-QGZVFWFLSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1C ZINC000222949525 564038512 /nfs/dbraw/zinc/03/85/12/564038512.db2.gz PXVCFTAKZMZDOQ-KRWDZBQOSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc(Cl)c1C ZINC000222949609 564038498 /nfs/dbraw/zinc/03/84/98/564038498.db2.gz PFZAOUCHLIVZQU-QGZVFWFLSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc(Cl)c1C ZINC000222949677 564038500 /nfs/dbraw/zinc/03/85/00/564038500.db2.gz PFZAOUCHLIVZQU-KRWDZBQOSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000222949768 564038516 /nfs/dbraw/zinc/03/85/16/564038516.db2.gz LNXVRPAARRCDOC-QGZVFWFLSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000222949829 536045163 /nfs/dbraw/zinc/04/51/63/536045163.db2.gz LNXVRPAARRCDOC-KRWDZBQOSA-N 0 0 331.843 5.061 40 0 EKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000222950603 241582691 /nfs/dbraw/zinc/58/26/91/241582691.db2.gz MFWOYGJEFGBHLE-HNNXBMFYSA-N 0 0 345.870 5.486 40 0 EKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000222950662 564038493 /nfs/dbraw/zinc/03/84/93/564038493.db2.gz MFWOYGJEFGBHLE-OAHLLOKOSA-N 0 0 345.870 5.486 40 0 EKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1c(C)cc(C)cc1C ZINC000222955275 535817763 /nfs/dbraw/zinc/81/77/63/535817763.db2.gz COXMDMMFZQOSDS-GOSISDBHSA-N 0 0 325.452 5.025 40 0 EKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1c(C)cc(C)cc1C ZINC000222955336 564038530 /nfs/dbraw/zinc/03/85/30/564038530.db2.gz COXMDMMFZQOSDS-SFHVURJKSA-N 0 0 325.452 5.025 40 0 EKABRN CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1ccc(C)cc1C ZINC000222955423 564038517 /nfs/dbraw/zinc/03/85/17/564038517.db2.gz OQGCNQBHCMHNIJ-LJQANCHMSA-N 0 0 339.479 5.224 40 0 EKABRN CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1ccc(C)cc1C ZINC000222955486 241582116 /nfs/dbraw/zinc/58/21/16/241582116.db2.gz OQGCNQBHCMHNIJ-IBGZPJMESA-N 0 0 339.479 5.224 40 0 EKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(C)C ZINC000222955867 564038536 /nfs/dbraw/zinc/03/85/36/564038536.db2.gz WEJFWGRZLLMSDS-LJQANCHMSA-N 0 0 325.452 5.223 40 0 EKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(C)C ZINC000222955935 564038519 /nfs/dbraw/zinc/03/85/19/564038519.db2.gz WEJFWGRZLLMSDS-IBGZPJMESA-N 0 0 325.452 5.223 40 0 EKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1c(C)cccc1C(C)C ZINC000222957421 564038546 /nfs/dbraw/zinc/03/85/46/564038546.db2.gz ZXDITOLRQJHGLY-LJQANCHMSA-N 0 0 339.479 5.531 40 0 EKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1c(C)cccc1C(C)C ZINC000222957469 564038542 /nfs/dbraw/zinc/03/85/42/564038542.db2.gz ZXDITOLRQJHGLY-IBGZPJMESA-N 0 0 339.479 5.531 40 0 EKABRN CCCCc1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2C)cc1 ZINC000222957983 564038568 /nfs/dbraw/zinc/03/85/68/564038568.db2.gz QRHFCHVAERMNNO-HXUWFJFHSA-N 0 0 339.479 5.442 40 0 EKABRN CCCCc1ccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)cc1 ZINC000222958040 564038578 /nfs/dbraw/zinc/03/85/78/564038578.db2.gz QRHFCHVAERMNNO-FQEVSTJZSA-N 0 0 339.479 5.442 40 0 EKABRN CCc1ccc(CC)c(CNC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000222962105 564038566 /nfs/dbraw/zinc/03/85/66/564038566.db2.gz CVRLARSFRISNMF-UHFFFAOYSA-N 0 0 336.262 5.048 40 0 EKABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cccc2ccccc21 ZINC000222976893 564038615 /nfs/dbraw/zinc/03/86/15/564038615.db2.gz PCFSSEXAVPKNOK-OAQYLSRUSA-N 0 0 333.431 5.253 40 0 EKABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cccc2ccccc21 ZINC000222976950 564038602 /nfs/dbraw/zinc/03/86/02/564038602.db2.gz PCFSSEXAVPKNOK-NRFANRHFSA-N 0 0 333.431 5.253 40 0 EKABRN CCSc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000222979460 564038645 /nfs/dbraw/zinc/03/86/45/564038645.db2.gz LFVYHSQMRBLYDS-HNNXBMFYSA-N 0 0 339.504 5.168 40 0 EKABRN CCSc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000222979516 564038648 /nfs/dbraw/zinc/03/86/48/564038648.db2.gz LFVYHSQMRBLYDS-OAHLLOKOSA-N 0 0 339.504 5.168 40 0 EKABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(Cl)cc1C ZINC000222980049 535817678 /nfs/dbraw/zinc/81/76/78/535817678.db2.gz DHLPCNBJDLNUID-GOSISDBHSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(Cl)cc1C ZINC000222980104 564038636 /nfs/dbraw/zinc/03/86/36/564038636.db2.gz DHLPCNBJDLNUID-SFHVURJKSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(Cl)ccc1C ZINC000222980174 535817758 /nfs/dbraw/zinc/81/77/58/535817758.db2.gz ZCYHTJFSTNEPSD-GOSISDBHSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(Cl)ccc1C ZINC000222980224 536044791 /nfs/dbraw/zinc/04/47/91/536044791.db2.gz ZCYHTJFSTNEPSD-SFHVURJKSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000222980318 535817653 /nfs/dbraw/zinc/81/76/53/535817653.db2.gz JSTAEWDLCOYWRG-GOSISDBHSA-N 0 0 331.843 5.061 40 0 EKABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000222980380 536044551 /nfs/dbraw/zinc/04/45/51/536044551.db2.gz JSTAEWDLCOYWRG-SFHVURJKSA-N 0 0 331.843 5.061 40 0 EKABRN Cc1ccc([C@@H](NC(=O)c2cc(C)ccc2C)c2ccccc2)c(C)c1 ZINC000222981879 564038647 /nfs/dbraw/zinc/03/86/47/564038647.db2.gz QLANIEAKEYKJSE-QHCPKHFHSA-N 0 0 343.470 5.440 40 0 EKABRN Cc1ccc([C@H](NC(=O)c2cc(C)ccc2C)c2ccccc2)c(C)c1 ZINC000222981931 564038642 /nfs/dbraw/zinc/03/86/42/564038642.db2.gz QLANIEAKEYKJSE-HSZRJFAPSA-N 0 0 343.470 5.440 40 0 EKABRN C[C@@H](NC(=O)CCc1ccccc1Cl)c1ccc2c(c1)CCCC2 ZINC000222983681 564038631 /nfs/dbraw/zinc/03/86/31/564038631.db2.gz ALMQRYFDQCEOML-OAHLLOKOSA-N 0 0 341.882 5.029 40 0 EKABRN C[C@H](NC(=O)CCc1ccccc1Cl)c1ccc2c(c1)CCCC2 ZINC000222983740 564038666 /nfs/dbraw/zinc/03/86/66/564038666.db2.gz ALMQRYFDQCEOML-HNNXBMFYSA-N 0 0 341.882 5.029 40 0 EKABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1c(C)cc(C)cc1C ZINC000222985443 564038695 /nfs/dbraw/zinc/03/86/95/564038695.db2.gz YUSRFUHFXDYREQ-LJQANCHMSA-N 0 0 325.452 5.025 40 0 EKABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1c(C)cc(C)cc1C ZINC000222985501 564038667 /nfs/dbraw/zinc/03/86/67/564038667.db2.gz YUSRFUHFXDYREQ-IBGZPJMESA-N 0 0 325.452 5.025 40 0 EKABRN CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1cc(C)cc(C)c1 ZINC000222985582 535882929 /nfs/dbraw/zinc/88/29/29/535882929.db2.gz FWVOQHYZBOTQEE-HXUWFJFHSA-N 0 0 339.479 5.224 40 0 EKABRN CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1cc(C)cc(C)c1 ZINC000222985626 564038690 /nfs/dbraw/zinc/03/86/90/564038690.db2.gz FWVOQHYZBOTQEE-FQEVSTJZSA-N 0 0 339.479 5.224 40 0 EKABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(C)C ZINC000222985993 564038668 /nfs/dbraw/zinc/03/86/68/564038668.db2.gz ZASUGPGLNMXUEN-HXUWFJFHSA-N 0 0 325.452 5.223 40 0 EKABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(C)C ZINC000222986048 536044708 /nfs/dbraw/zinc/04/47/08/536044708.db2.gz ZASUGPGLNMXUEN-FQEVSTJZSA-N 0 0 325.452 5.223 40 0 EKABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1c(C)cccc1C(C)C ZINC000222987164 564038688 /nfs/dbraw/zinc/03/86/88/564038688.db2.gz FSGQZUUGQVUWAC-HXUWFJFHSA-N 0 0 339.479 5.531 40 0 EKABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1c(C)cccc1C(C)C ZINC000222987214 564038692 /nfs/dbraw/zinc/03/86/92/564038692.db2.gz FSGQZUUGQVUWAC-FQEVSTJZSA-N 0 0 339.479 5.531 40 0 EKABRN CCCCc1ccc(NC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)cc1 ZINC000222987602 564038691 /nfs/dbraw/zinc/03/86/91/564038691.db2.gz XZETUWSWUATMBT-OAQYLSRUSA-N 0 0 339.479 5.442 40 0 EKABRN Cc1ccc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C ZINC000222987660 241588197 /nfs/dbraw/zinc/58/81/97/241588197.db2.gz GHORUVZAOIPVAQ-UHFFFAOYSA-N 0 0 345.442 5.667 40 0 EKABRN CCCCc1ccc(NC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)cc1 ZINC000222987674 564038684 /nfs/dbraw/zinc/03/86/84/564038684.db2.gz XZETUWSWUATMBT-NRFANRHFSA-N 0 0 339.479 5.442 40 0 EKABRN CCSc1ccccc1NC(=O)[C@@H](CC)Oc1cc(C)cc(C)c1 ZINC000222997929 564038722 /nfs/dbraw/zinc/03/87/22/564038722.db2.gz YONWCHXSOFSARB-GOSISDBHSA-N 0 0 343.492 5.212 40 0 EKABRN CCSc1ccccc1NC(=O)[C@H](CC)Oc1cc(C)cc(C)c1 ZINC000222997985 564038698 /nfs/dbraw/zinc/03/86/98/564038698.db2.gz YONWCHXSOFSARB-SFHVURJKSA-N 0 0 343.492 5.212 40 0 EKABRN C[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc2c(c1)CCCC2 ZINC000223003030 241589621 /nfs/dbraw/zinc/58/96/21/241589621.db2.gz ZSYLRSIWMLQWDT-GOSISDBHSA-N 0 0 347.502 5.255 40 0 EKABRN C[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc2c(c1)CCCC2 ZINC000223003092 564038729 /nfs/dbraw/zinc/03/87/29/564038729.db2.gz ZSYLRSIWMLQWDT-SFHVURJKSA-N 0 0 347.502 5.255 40 0 EKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1Cl ZINC000223005916 535817854 /nfs/dbraw/zinc/81/78/54/535817854.db2.gz MRQRXWAHNWPATQ-MRXNPFEDSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1Cl ZINC000223005987 536045078 /nfs/dbraw/zinc/04/50/78/536045078.db2.gz MRQRXWAHNWPATQ-INIZCTEOSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(Cl)c1 ZINC000223006076 535817833 /nfs/dbraw/zinc/81/78/33/535817833.db2.gz RJEWXWCAZPAMMY-MRXNPFEDSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(Cl)c1 ZINC000223006142 536045444 /nfs/dbraw/zinc/04/54/44/536045444.db2.gz RJEWXWCAZPAMMY-INIZCTEOSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000223006221 535817768 /nfs/dbraw/zinc/81/77/68/535817768.db2.gz OBAGMZXZGZUOJE-MRXNPFEDSA-N 0 0 338.234 5.098 40 0 EKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000223006287 564038734 /nfs/dbraw/zinc/03/87/34/564038734.db2.gz OBAGMZXZGZUOJE-INIZCTEOSA-N 0 0 338.234 5.098 40 0 EKABRN C[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000223006692 241592567 /nfs/dbraw/zinc/59/25/67/241592567.db2.gz LBIVZYQKLGOHLK-OAHLLOKOSA-N 0 0 341.882 5.029 40 0 EKABRN C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000223006769 241592212 /nfs/dbraw/zinc/59/22/12/241592212.db2.gz LBIVZYQKLGOHLK-HNNXBMFYSA-N 0 0 341.882 5.029 40 0 EKABRN C[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000223007768 241591756 /nfs/dbraw/zinc/59/17/56/241591756.db2.gz ATOPUNJOUWQDAF-CYBMUJFWSA-N 0 0 344.911 5.266 40 0 EKABRN C[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000223007821 564038732 /nfs/dbraw/zinc/03/87/32/564038732.db2.gz ATOPUNJOUWQDAF-ZDUSSCGKSA-N 0 0 344.911 5.266 40 0 EKABRN Cc1cccc([C@@H](NC(=O)Cc2ccc(C)cc2C)c2ccccc2)c1 ZINC000223009984 241591405 /nfs/dbraw/zinc/59/14/05/241591405.db2.gz KAXXGLCRZFOXBT-DEOSSOPVSA-N 0 0 343.470 5.060 40 0 EKABRN Cc1cccc([C@H](NC(=O)Cc2ccc(C)cc2C)c2ccccc2)c1 ZINC000223010043 241592559 /nfs/dbraw/zinc/59/25/59/241592559.db2.gz KAXXGLCRZFOXBT-XMMPIXPASA-N 0 0 343.470 5.060 40 0 EKABRN CC[C@@H](NC(=O)c1ccccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223012317 535800968 /nfs/dbraw/zinc/80/09/68/535800968.db2.gz YIFAGWVPXWGWFR-LJQANCHMSA-N 0 0 327.855 5.100 40 0 EKABRN CC[C@H](NC(=O)c1ccccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223012380 241592024 /nfs/dbraw/zinc/59/20/24/241592024.db2.gz YIFAGWVPXWGWFR-IBGZPJMESA-N 0 0 327.855 5.100 40 0 EKABRN CC[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000223012466 564038785 /nfs/dbraw/zinc/03/87/85/564038785.db2.gz ZYQQXHICXKLRBA-LJQANCHMSA-N 0 0 327.855 5.100 40 0 EKABRN CC[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000223012534 535874631 /nfs/dbraw/zinc/87/46/31/535874631.db2.gz ZYQQXHICXKLRBA-IBGZPJMESA-N 0 0 327.855 5.100 40 0 EKABRN CC[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc2c(c1)CCCC2 ZINC000223012622 241591451 /nfs/dbraw/zinc/59/14/51/241591451.db2.gz CLEBKYQDGCUACF-LJQANCHMSA-N 0 0 327.855 5.100 40 0 EKABRN CC[C@H](NC(=O)c1cccc(Cl)c1)c1ccc2c(c1)CCCC2 ZINC000223012690 241592428 /nfs/dbraw/zinc/59/24/28/241592428.db2.gz CLEBKYQDGCUACF-IBGZPJMESA-N 0 0 327.855 5.100 40 0 EKABRN CC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 ZINC000223012937 535799940 /nfs/dbraw/zinc/79/99/40/535799940.db2.gz HZDPEOWUZDQWRS-JOCHJYFZSA-N 0 0 349.518 5.744 40 0 EKABRN CC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 ZINC000223013002 564038781 /nfs/dbraw/zinc/03/87/81/564038781.db2.gz HZDPEOWUZDQWRS-QFIPXVFZSA-N 0 0 349.518 5.744 40 0 EKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(SC)c1 ZINC000223014244 535817815 /nfs/dbraw/zinc/81/78/15/535817815.db2.gz OEOQSAXPGWQACL-QGZVFWFLSA-N 0 0 349.883 5.166 40 0 EKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(SC)c1 ZINC000223014305 564038773 /nfs/dbraw/zinc/03/87/73/564038773.db2.gz OEOQSAXPGWQACL-KRWDZBQOSA-N 0 0 349.883 5.166 40 0 EKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1c(C)cc(C)cc1C ZINC000223016875 535817802 /nfs/dbraw/zinc/81/78/02/535817802.db2.gz ORUHIIXFLODBKH-GOSISDBHSA-N 0 0 345.870 5.370 40 0 EKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1c(C)cc(C)cc1C ZINC000223016942 536045709 /nfs/dbraw/zinc/04/57/09/536045709.db2.gz ORUHIIXFLODBKH-SFHVURJKSA-N 0 0 345.870 5.370 40 0 EKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(C)C ZINC000223017428 564038760 /nfs/dbraw/zinc/03/87/60/564038760.db2.gz OXBJDFQJQROXPB-LJQANCHMSA-N 0 0 345.870 5.568 40 0 EKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(C)C ZINC000223017486 536046009 /nfs/dbraw/zinc/04/60/09/536046009.db2.gz OXBJDFQJQROXPB-IBGZPJMESA-N 0 0 345.870 5.568 40 0 EKABRN CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1 ZINC000223017567 241591697 /nfs/dbraw/zinc/59/16/97/241591697.db2.gz XKEIPCJVHBHLRJ-GOSISDBHSA-N 0 0 345.870 5.315 40 0 EKABRN CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1ccc(Cl)c(C)c1 ZINC000223017621 241590808 /nfs/dbraw/zinc/59/08/08/241590808.db2.gz XKEIPCJVHBHLRJ-SFHVURJKSA-N 0 0 345.870 5.315 40 0 EKABRN Cc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1C ZINC000223018553 564038772 /nfs/dbraw/zinc/03/87/72/564038772.db2.gz KHVWYZRYUDKNCR-UHFFFAOYSA-N 0 0 347.483 5.848 40 0 EKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NC1CCCCCCC1 ZINC000223022860 564038777 /nfs/dbraw/zinc/03/87/77/564038777.db2.gz KNKPQGPZLLQFJZ-GOSISDBHSA-N 0 0 337.891 5.035 40 0 EKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NC1CCCCCCC1 ZINC000223022928 536045998 /nfs/dbraw/zinc/04/59/98/536045998.db2.gz KNKPQGPZLLQFJZ-SFHVURJKSA-N 0 0 337.891 5.035 40 0 EKABRN CC[C@@H](NC(=O)/C=C/c1ccc(C)cc1)c1ccc2c(c1)CCCC2 ZINC000223023406 241592831 /nfs/dbraw/zinc/59/28/31/241592831.db2.gz MASJONCCZYLMCH-OWSFEGEDSA-N 0 0 333.475 5.155 40 0 EKABRN CC[C@H](NC(=O)/C=C/c1ccc(C)cc1)c1ccc2c(c1)CCCC2 ZINC000223023464 241591785 /nfs/dbraw/zinc/59/17/85/241591785.db2.gz MASJONCCZYLMCH-GLBTYYSXSA-N 0 0 333.475 5.155 40 0 EKABRN CC[C@@H](NC(=O)c1ccccc1SC)c1ccc2c(c1)CCCC2 ZINC000223023687 564038779 /nfs/dbraw/zinc/03/87/79/564038779.db2.gz HAHUNTARWMKOEY-LJQANCHMSA-N 0 0 339.504 5.168 40 0 EKABRN CC[C@H](NC(=O)c1ccccc1SC)c1ccc2c(c1)CCCC2 ZINC000223023755 564038767 /nfs/dbraw/zinc/03/87/67/564038767.db2.gz HAHUNTARWMKOEY-IBGZPJMESA-N 0 0 339.504 5.168 40 0 EKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000223052399 564038791 /nfs/dbraw/zinc/03/87/91/564038791.db2.gz ONLKLZINFYEDAJ-KRWDZBQOSA-N 0 0 325.452 5.141 40 0 EKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000223052451 564038845 /nfs/dbraw/zinc/03/88/45/564038845.db2.gz ONLKLZINFYEDAJ-QGZVFWFLSA-N 0 0 325.452 5.141 40 0 EKABRN CCc1ccc(CC)c(CNC(=O)CCc2ccc(C(C)C)cc2)c1 ZINC000223055497 241596961 /nfs/dbraw/zinc/59/69/61/241596961.db2.gz LPLOQQKKELTCEH-UHFFFAOYSA-N 0 0 337.507 5.184 40 0 EKABRN CC[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000223064216 564038827 /nfs/dbraw/zinc/03/88/27/564038827.db2.gz NNWQMCPKQIVUQP-HXUWFJFHSA-N 0 0 341.882 5.029 40 0 EKABRN CC[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000223064270 564038834 /nfs/dbraw/zinc/03/88/34/564038834.db2.gz NNWQMCPKQIVUQP-FQEVSTJZSA-N 0 0 341.882 5.029 40 0 EKABRN CC[C@@H](NC(=O)CCc1ccc(C)cc1)c1ccc2c(c1)CCCC2 ZINC000223064358 564038830 /nfs/dbraw/zinc/03/88/30/564038830.db2.gz DKIGTGUXNRJDFZ-JOCHJYFZSA-N 0 0 335.491 5.074 40 0 EKABRN CC[C@H](NC(=O)CCc1ccc(C)cc1)c1ccc2c(c1)CCCC2 ZINC000223064417 564038831 /nfs/dbraw/zinc/03/88/31/564038831.db2.gz DKIGTGUXNRJDFZ-QFIPXVFZSA-N 0 0 335.491 5.074 40 0 EKABRN CCc1ccc(CC(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000223064901 536166546 /nfs/dbraw/zinc/16/65/46/536166546.db2.gz KIKBOIOYODKYJS-UHFFFAOYSA-N 0 0 347.483 5.581 40 0 EKABRN Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1C ZINC000223078441 241600327 /nfs/dbraw/zinc/60/03/27/241600327.db2.gz LQTVURGCVZPIAK-SFHVURJKSA-N 0 0 337.507 5.411 40 0 EKABRN Cc1ccc(CCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1C ZINC000223078491 564038872 /nfs/dbraw/zinc/03/88/72/564038872.db2.gz LQTVURGCVZPIAK-GOSISDBHSA-N 0 0 337.507 5.411 40 0 EKABRN C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000223088071 564038903 /nfs/dbraw/zinc/03/89/03/564038903.db2.gz CLCSYGATMHAJJU-OAHLLOKOSA-N 0 0 335.834 5.498 40 0 EKABRN C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000223088130 564038908 /nfs/dbraw/zinc/03/89/08/564038908.db2.gz CLCSYGATMHAJJU-HNNXBMFYSA-N 0 0 335.834 5.498 40 0 EKABRN CCc1ccc(CCC(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)cc1 ZINC000223104978 564038924 /nfs/dbraw/zinc/03/89/24/564038924.db2.gz NVDGHFYQYYPTNJ-QHCPKHFHSA-N 0 0 349.518 5.328 40 0 EKABRN CCc1ccc(CCC(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)cc1 ZINC000223105030 241601586 /nfs/dbraw/zinc/60/15/86/241601586.db2.gz NVDGHFYQYYPTNJ-HSZRJFAPSA-N 0 0 349.518 5.328 40 0 EKABRN CC[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc2c(c1)CCCC2 ZINC000223110569 564038927 /nfs/dbraw/zinc/03/89/27/564038927.db2.gz SCNPCRWOLGKJGA-LJQANCHMSA-N 0 0 333.431 5.193 40 0 EKABRN CC[C@H](NC(=O)c1cc2ccccc2o1)c1ccc2c(c1)CCCC2 ZINC000223110624 564038939 /nfs/dbraw/zinc/03/89/39/564038939.db2.gz SCNPCRWOLGKJGA-IBGZPJMESA-N 0 0 333.431 5.193 40 0 EKABRN Cc1ccc([C@@H](NC(=O)Cc2cccc(Cl)c2)c2ccccc2)cc1 ZINC000223114321 564038975 /nfs/dbraw/zinc/03/89/75/564038975.db2.gz QGSIMQDYVBSYHE-QFIPXVFZSA-N 0 0 349.861 5.097 40 0 EKABRN Cc1ccc([C@H](NC(=O)Cc2cccc(Cl)c2)c2ccccc2)cc1 ZINC000223114372 564038973 /nfs/dbraw/zinc/03/89/73/564038973.db2.gz QGSIMQDYVBSYHE-JOCHJYFZSA-N 0 0 349.861 5.097 40 0 EKABRN Cc1ccc([C@@H](NC(=O)c2ccc(C)c(C)c2)c2ccccc2)cc1 ZINC000223116709 564038958 /nfs/dbraw/zinc/03/89/58/564038958.db2.gz CXHUBJRPBOPLNK-QFIPXVFZSA-N 0 0 329.443 5.131 40 0 EKABRN Cc1ccc([C@H](NC(=O)c2ccc(C)c(C)c2)c2ccccc2)cc1 ZINC000223116760 564038966 /nfs/dbraw/zinc/03/89/66/564038966.db2.gz CXHUBJRPBOPLNK-JOCHJYFZSA-N 0 0 329.443 5.131 40 0 EKABRN O=C(NCCC1=CCCCC1)c1cc2cc3ccccc3nc2s1 ZINC000223126745 564038999 /nfs/dbraw/zinc/03/89/99/564038999.db2.gz JUSYLRAAXXMNAU-UHFFFAOYSA-N 0 0 336.460 5.070 40 0 EKABRN Cc1cccc(NC(=O)c2cc3cc4ccccc4nc3s2)c1C ZINC000223127647 564038986 /nfs/dbraw/zinc/03/89/86/564038986.db2.gz IXEYSEDXDSTLOP-UHFFFAOYSA-N 0 0 332.428 5.319 40 0 EKABRN Cc1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)c(C)c1 ZINC000223127724 564038988 /nfs/dbraw/zinc/03/89/88/564038988.db2.gz IDWTWDNUXFIPJO-UHFFFAOYSA-N 0 0 332.428 5.319 40 0 EKABRN Cc1ccc(C)c(NC(=O)c2cc3cc4ccccc4nc3s2)c1 ZINC000223127800 564038991 /nfs/dbraw/zinc/03/89/91/564038991.db2.gz CROVNMPAPMHLLY-UHFFFAOYSA-N 0 0 332.428 5.319 40 0 EKABRN Cc1cccc(C)c1NC(=O)c1cc2cc3ccccc3nc2s1 ZINC000223127877 241603539 /nfs/dbraw/zinc/60/35/39/241603539.db2.gz LUYLVZZAUXRBQJ-UHFFFAOYSA-N 0 0 332.428 5.319 40 0 EKABRN CCc1cccc(C)c1NC(=O)c1cc2cc3ccccc3nc2s1 ZINC000223127949 564039003 /nfs/dbraw/zinc/03/90/03/564039003.db2.gz DGCNLYIBLRWCRO-UHFFFAOYSA-N 0 0 346.455 5.573 40 0 EKABRN Cc1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)cc1C ZINC000223128032 241604949 /nfs/dbraw/zinc/60/49/49/241604949.db2.gz DAVKUZIBZRSVTL-UHFFFAOYSA-N 0 0 332.428 5.319 40 0 EKABRN Cc1cc(C)cc(NC(=O)c2cc3cc4ccccc4nc3s2)c1 ZINC000223128115 564038993 /nfs/dbraw/zinc/03/89/93/564038993.db2.gz ATUJABAKZFVAQN-UHFFFAOYSA-N 0 0 332.428 5.319 40 0 EKABRN CCc1ccccc1NC(=O)c1cc2cc3ccccc3nc2s1 ZINC000223128205 564039005 /nfs/dbraw/zinc/03/90/05/564039005.db2.gz GLSHGVIFYJZTOG-UHFFFAOYSA-N 0 0 332.428 5.264 40 0 EKABRN CCc1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)cc1 ZINC000223128288 241604983 /nfs/dbraw/zinc/60/49/83/241604983.db2.gz ZEAMXKCIKZXSNE-UHFFFAOYSA-N 0 0 332.428 5.264 40 0 EKABRN O=C(Nc1ccccc1Cl)c1cc2cc3ccccc3nc2s1 ZINC000223128467 241605188 /nfs/dbraw/zinc/60/51/88/241605188.db2.gz BMPQYURTOBOKLX-UHFFFAOYSA-N 0 0 338.819 5.355 40 0 EKABRN O=C(Nc1cccc(Cl)c1)c1cc2cc3ccccc3nc2s1 ZINC000223128560 564038992 /nfs/dbraw/zinc/03/89/92/564038992.db2.gz PQIRERUXVIZCJD-UHFFFAOYSA-N 0 0 338.819 5.355 40 0 EKABRN O=C(Nc1ccc(Cl)cc1)c1cc2cc3ccccc3nc2s1 ZINC000223128648 564038997 /nfs/dbraw/zinc/03/89/97/564038997.db2.gz XSVJQLDZQRYEON-UHFFFAOYSA-N 0 0 338.819 5.355 40 0 EKABRN CCOc1ccccc1NC(=O)c1cc2cc3ccccc3nc2s1 ZINC000223130664 564038979 /nfs/dbraw/zinc/03/89/79/564038979.db2.gz CQTPFOUGALQQII-UHFFFAOYSA-N 0 0 348.427 5.101 40 0 EKABRN CCOc1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)cc1 ZINC000223130749 564038998 /nfs/dbraw/zinc/03/89/98/564038998.db2.gz GGGAFZFERALEND-UHFFFAOYSA-N 0 0 348.427 5.101 40 0 EKABRN COc1ccc(C)cc1NC(=O)c1cc2cc3ccccc3nc2s1 ZINC000223131329 564038996 /nfs/dbraw/zinc/03/89/96/564038996.db2.gz DMDXRUSZQZEPGL-UHFFFAOYSA-N 0 0 348.427 5.019 40 0 EKABRN CC[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 ZINC000223132497 564039038 /nfs/dbraw/zinc/03/90/38/564039038.db2.gz XWPTVCYLAOTLDB-HXUWFJFHSA-N 0 0 341.882 5.029 40 0 EKABRN CC[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 ZINC000223132563 241604719 /nfs/dbraw/zinc/60/47/19/241604719.db2.gz XWPTVCYLAOTLDB-FQEVSTJZSA-N 0 0 341.882 5.029 40 0 EKABRN CC[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccc2c(c1)CCCC2 ZINC000223133378 564039012 /nfs/dbraw/zinc/03/90/12/564039012.db2.gz HMWRXBHBWYUCIH-LJQANCHMSA-N 0 0 345.845 5.239 40 0 EKABRN CC[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccc2c(c1)CCCC2 ZINC000223133435 564039036 /nfs/dbraw/zinc/03/90/36/564039036.db2.gz HMWRXBHBWYUCIH-IBGZPJMESA-N 0 0 345.845 5.239 40 0 EKABRN Cc1cc(C)c(NC(=O)c2cc3cc4ccccc4nc3s2)c(C)c1 ZINC000223133694 564039028 /nfs/dbraw/zinc/03/90/28/564039028.db2.gz QROOQFBOONJXDD-UHFFFAOYSA-N 0 0 346.455 5.627 40 0 EKABRN CC[C@@H](NC(=O)CCc1ccc(C)c(C)c1)c1ccc2c(c1)CCCC2 ZINC000223133954 564039027 /nfs/dbraw/zinc/03/90/27/564039027.db2.gz LTNKFYPXLGCGAD-HSZRJFAPSA-N 0 0 349.518 5.382 40 0 EKABRN CC[C@H](NC(=O)CCc1ccc(C)c(C)c1)c1ccc2c(c1)CCCC2 ZINC000223134006 564039032 /nfs/dbraw/zinc/03/90/32/564039032.db2.gz LTNKFYPXLGCGAD-QHCPKHFHSA-N 0 0 349.518 5.382 40 0 EKABRN O=C(NC1CCCCCCC1)c1cc2cc3ccccc3nc2s1 ZINC000223134081 564039041 /nfs/dbraw/zinc/03/90/41/564039041.db2.gz RUXUOVOVBPGXDC-UHFFFAOYSA-N 0 0 338.476 5.292 40 0 EKABRN CC(C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 ZINC000223136414 564039025 /nfs/dbraw/zinc/03/90/25/564039025.db2.gz XDBBLTXVCJWXIX-MRXNPFEDSA-N 0 0 337.463 5.095 40 0 EKABRN CC(C)c1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 ZINC000223136492 564039029 /nfs/dbraw/zinc/03/90/29/564039029.db2.gz XDBBLTXVCJWXIX-INIZCTEOSA-N 0 0 337.463 5.095 40 0 EKABRN COc1cccc(Oc2ccc(Cl)cc2NC(=O)C(C)(C)C)c1 ZINC000223139102 564039013 /nfs/dbraw/zinc/03/90/13/564039013.db2.gz ZBDMJVSDGHKFAD-UHFFFAOYSA-N 0 0 333.815 5.126 40 0 EKABRN CC[C@@H](NC(=O)Cc1ccccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223142150 564039057 /nfs/dbraw/zinc/03/90/57/564039057.db2.gz IZKKPPHVIIZIAQ-HXUWFJFHSA-N 0 0 341.882 5.029 40 0 EKABRN CC[C@H](NC(=O)Cc1ccccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223142212 241607201 /nfs/dbraw/zinc/60/72/01/241607201.db2.gz IZKKPPHVIIZIAQ-FQEVSTJZSA-N 0 0 341.882 5.029 40 0 EKABRN CC[C@@H](NC(=S)Nc1ccc(C)cc1)c1ccc2c(c1)CCCC2 ZINC000223142442 564039044 /nfs/dbraw/zinc/03/90/44/564039044.db2.gz LPDDBEVIZROFSP-HXUWFJFHSA-N 0 0 338.520 5.312 40 0 EKABRN CC[C@H](NC(=S)Nc1ccc(C)cc1)c1ccc2c(c1)CCCC2 ZINC000223142495 564039047 /nfs/dbraw/zinc/03/90/47/564039047.db2.gz LPDDBEVIZROFSP-FQEVSTJZSA-N 0 0 338.520 5.312 40 0 EKABRN CC[C@@H](NC(=S)Nc1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000223142569 241606269 /nfs/dbraw/zinc/60/62/69/241606269.db2.gz FWSIVESKMFWHLN-LJQANCHMSA-N 0 0 342.483 5.142 40 0 EKABRN CC[C@H](NC(=S)Nc1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000223142623 564039069 /nfs/dbraw/zinc/03/90/69/564039069.db2.gz FWSIVESKMFWHLN-IBGZPJMESA-N 0 0 342.483 5.142 40 0 EKABRN CC[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCCC2 ZINC000223144958 564039060 /nfs/dbraw/zinc/03/90/60/564039060.db2.gz MUXFGSOBPLNKFR-HSZRJFAPSA-N 0 0 347.502 5.325 40 0 EKABRN CC[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCCC2 ZINC000223145016 564039056 /nfs/dbraw/zinc/03/90/56/564039056.db2.gz MUXFGSOBPLNKFR-QHCPKHFHSA-N 0 0 347.502 5.325 40 0 EKABRN CC[C@@H](NC(=O)c1cc(C)c(C)cc1C)c1ccc2c(c1)CCCC2 ZINC000223145108 564039042 /nfs/dbraw/zinc/03/90/42/564039042.db2.gz BOEHJKLLYOZILS-JOCHJYFZSA-N 0 0 335.491 5.372 40 0 EKABRN CC[C@H](NC(=O)c1cc(C)c(C)cc1C)c1ccc2c(c1)CCCC2 ZINC000223145162 564039058 /nfs/dbraw/zinc/03/90/58/564039058.db2.gz BOEHJKLLYOZILS-QFIPXVFZSA-N 0 0 335.491 5.372 40 0 EKABRN C[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCC2 ZINC000223150905 564039087 /nfs/dbraw/zinc/03/90/87/564039087.db2.gz RRZITRBWKODLOQ-IUYQLWOBSA-N 0 0 347.502 5.363 40 0 EKABRN C[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCC2 ZINC000223150950 564039075 /nfs/dbraw/zinc/03/90/75/564039075.db2.gz RRZITRBWKODLOQ-OBHPCNEJSA-N 0 0 347.502 5.363 40 0 EKABRN CCC1(CC)C[C@@H](NC(=O)/C=C/c2ccc(C)cc2)c2ccccc2O1 ZINC000223151159 564039082 /nfs/dbraw/zinc/03/90/82/564039082.db2.gz VFNKPRMZFNESHT-DAMWEWLOSA-N 0 0 349.474 5.207 40 0 EKABRN CCC1(CC)C[C@H](NC(=O)/C=C/c2ccc(C)cc2)c2ccccc2O1 ZINC000223151213 564039077 /nfs/dbraw/zinc/03/90/77/564039077.db2.gz VFNKPRMZFNESHT-JWHUVLAVSA-N 0 0 349.474 5.207 40 0 EKABRN CCc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000223156310 536166644 /nfs/dbraw/zinc/16/66/44/536166644.db2.gz FTQJOTTTWRLJTF-UHFFFAOYSA-N 0 0 341.760 5.102 40 0 EKABRN C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)CCC2 ZINC000223156630 564039124 /nfs/dbraw/zinc/03/91/24/564039124.db2.gz FKXPUGFDXQXRTG-QGZVFWFLSA-N 0 0 341.454 5.333 40 0 EKABRN C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)CCC2 ZINC000223156693 564039109 /nfs/dbraw/zinc/03/91/09/564039109.db2.gz FKXPUGFDXQXRTG-KRWDZBQOSA-N 0 0 341.454 5.333 40 0 EKABRN Cc1cccc(C(C)C)c1NC(=O)COc1cccc2c1CCCC2 ZINC000223157807 564039132 /nfs/dbraw/zinc/03/91/32/564039132.db2.gz CTRLCXQFRHCISK-UHFFFAOYSA-N 0 0 337.463 5.015 40 0 EKABRN Cc1ccc(CCC(=O)Nc2ccc(OC3CCCC3)cc2)cc1C ZINC000223179211 564039148 /nfs/dbraw/zinc/03/91/48/564039148.db2.gz PBZSADMTWPKUIM-UHFFFAOYSA-N 0 0 337.463 5.196 40 0 EKABRN C[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCC2 ZINC000223189719 564039181 /nfs/dbraw/zinc/03/91/81/564039181.db2.gz CDEDIQKPAKTPDE-QGZVFWFLSA-N 0 0 349.518 5.283 40 0 EKABRN C[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCC2 ZINC000223189780 564039165 /nfs/dbraw/zinc/03/91/65/564039165.db2.gz CDEDIQKPAKTPDE-KRWDZBQOSA-N 0 0 349.518 5.283 40 0 EKABRN CCC1(CC)C[C@@H](NC(=O)c2cc3ccccc3o2)c2ccccc2O1 ZINC000223212182 564039244 /nfs/dbraw/zinc/03/92/44/564039244.db2.gz YONBNUGFQJLNAS-QGZVFWFLSA-N 0 0 349.430 5.245 40 0 EKABRN CCC1(CC)C[C@H](NC(=O)c2cc3ccccc3o2)c2ccccc2O1 ZINC000223212239 535266046 /nfs/dbraw/zinc/26/60/46/535266046.db2.gz YONBNUGFQJLNAS-KRWDZBQOSA-N 0 0 349.430 5.245 40 0 EKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000223213965 564039227 /nfs/dbraw/zinc/03/92/27/564039227.db2.gz VSWSSVPVERSVNB-KRWDZBQOSA-N 0 0 339.479 5.648 40 0 EKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000223214030 564039247 /nfs/dbraw/zinc/03/92/47/564039247.db2.gz VSWSSVPVERSVNB-QGZVFWFLSA-N 0 0 339.479 5.648 40 0 EKABRN CCCC[C@@H](C(=O)OC)N1c2ccc(Cl)cc2C(C)=CC1(C)C ZINC000223225823 564039261 /nfs/dbraw/zinc/03/92/61/564039261.db2.gz VMNZEQPDZSVZQJ-KRWDZBQOSA-N 0 0 335.875 5.074 40 0 EKABRN CCCC[C@H](C(=O)OC)N1c2ccc(Cl)cc2C(C)=CC1(C)C ZINC000223225885 241617805 /nfs/dbraw/zinc/61/78/05/241617805.db2.gz VMNZEQPDZSVZQJ-QGZVFWFLSA-N 0 0 335.875 5.074 40 0 EKABRN CCCC[C@@H](C(=O)OC)N1c2cc(C)c(C)cc2C(C)=CC1(C)C ZINC000223226279 241616703 /nfs/dbraw/zinc/61/67/03/241616703.db2.gz YFDAJMSARXTCFB-SFHVURJKSA-N 0 0 329.484 5.037 40 0 EKABRN CCCC[C@H](C(=O)OC)N1c2cc(C)c(C)cc2C(C)=CC1(C)C ZINC000223226342 564039267 /nfs/dbraw/zinc/03/92/67/564039267.db2.gz YFDAJMSARXTCFB-GOSISDBHSA-N 0 0 329.484 5.037 40 0 EKABRN CCCC[C@@H](C(=O)OC)N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C ZINC000223227151 564039300 /nfs/dbraw/zinc/03/93/00/564039300.db2.gz SSDUNMVBIARJPP-GUYCJALGSA-N 0 0 337.891 5.164 40 0 EKABRN CCCC[C@H](C(=O)OC)N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C ZINC000223227214 241618146 /nfs/dbraw/zinc/61/81/46/241618146.db2.gz SSDUNMVBIARJPP-SUMWQHHRSA-N 0 0 337.891 5.164 40 0 EKABRN CCCC[C@@H](C(=O)OC)N1c2cc(C)c(C)cc2[C@@H](C)CC1(C)C ZINC000223227575 241616918 /nfs/dbraw/zinc/61/69/18/241616918.db2.gz HYZPUTAQQSWGNU-WMZOPIPTSA-N 0 0 331.500 5.127 40 0 EKABRN CCCC[C@H](C(=O)OC)N1c2cc(C)c(C)cc2[C@@H](C)CC1(C)C ZINC000223227624 564039294 /nfs/dbraw/zinc/03/92/94/564039294.db2.gz HYZPUTAQQSWGNU-FUHWJXTLSA-N 0 0 331.500 5.127 40 0 EKABRN CC(C)Sc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 ZINC000223229659 241620633 /nfs/dbraw/zinc/62/06/33/241620633.db2.gz UQBLWWIAJUMBOC-HNNXBMFYSA-N 0 0 339.504 5.167 40 0 EKABRN CC(C)Sc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)CCC2 ZINC000223229715 564039292 /nfs/dbraw/zinc/03/92/92/564039292.db2.gz UQBLWWIAJUMBOC-OAHLLOKOSA-N 0 0 339.504 5.167 40 0 EKABRN COC(=O)c1ccc(CN2c3ccc(Cl)cc3[C@@H](C)CC2(C)C)o1 ZINC000223231411 564039325 /nfs/dbraw/zinc/03/93/25/564039325.db2.gz LXUPAEPZLVABSD-LBPRGKRZSA-N 0 0 347.842 5.012 40 0 EKABRN COc1ccc(CCC(=O)Nc2ccccc2-c2ccccc2)cc1C ZINC000223237504 564039372 /nfs/dbraw/zinc/03/93/72/564039372.db2.gz XSLWXPFZFDSFPS-UHFFFAOYSA-N 0 0 345.442 5.242 40 0 EKABRN CCOc1ccc(C(=O)N[C@@H](CC)c2ccc(C)c(C)c2)cc1Cl ZINC000223243078 564039400 /nfs/dbraw/zinc/03/94/00/564039400.db2.gz HSVTZJKFRUCMKN-SFHVURJKSA-N 0 0 345.870 5.237 40 0 EKABRN CCOc1ccc(C(=O)N[C@H](CC)c2ccc(C)c(C)c2)cc1Cl ZINC000223243137 564039399 /nfs/dbraw/zinc/03/93/99/564039399.db2.gz HSVTZJKFRUCMKN-GOSISDBHSA-N 0 0 345.870 5.237 40 0 EKABRN C[C@@H](NC(=O)CCc1cccc2ccccc21)c1ccc2c(c1)CCC2 ZINC000223243657 241620257 /nfs/dbraw/zinc/62/02/57/241620257.db2.gz ABPCHMRQOMLEDP-QGZVFWFLSA-N 0 0 343.470 5.139 40 0 EKABRN C[C@H](NC(=O)CCc1cccc2ccccc21)c1ccc2c(c1)CCC2 ZINC000223243717 564039393 /nfs/dbraw/zinc/03/93/93/564039393.db2.gz ABPCHMRQOMLEDP-KRWDZBQOSA-N 0 0 343.470 5.139 40 0 EKABRN CSc1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 ZINC000223246568 564039406 /nfs/dbraw/zinc/03/94/06/564039406.db2.gz QTEXPCHFPOOTRO-OAHLLOKOSA-N 0 0 343.492 5.246 40 0 EKABRN CSc1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 ZINC000223246623 564039376 /nfs/dbraw/zinc/03/93/76/564039376.db2.gz QTEXPCHFPOOTRO-HNNXBMFYSA-N 0 0 343.492 5.246 40 0 EKABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccccc2Cl)cc1C(C)C ZINC000223262758 241624323 /nfs/dbraw/zinc/62/43/23/241624323.db2.gz QFSMPVHBYZCRCL-CQSZACIVSA-N 0 0 345.870 5.271 40 0 EKABRN COc1cc(C)c([C@H](C)NC(=O)c2ccccc2Cl)cc1C(C)C ZINC000223262821 564039441 /nfs/dbraw/zinc/03/94/41/564039441.db2.gz QFSMPVHBYZCRCL-AWEZNQCLSA-N 0 0 345.870 5.271 40 0 EKABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cl)cc2)cc1C(C)C ZINC000223262901 564039452 /nfs/dbraw/zinc/03/94/52/564039452.db2.gz PRSLDUWVMBTURM-CQSZACIVSA-N 0 0 345.870 5.271 40 0 EKABRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(Cl)cc2)cc1C(C)C ZINC000223262953 564039453 /nfs/dbraw/zinc/03/94/53/564039453.db2.gz PRSLDUWVMBTURM-AWEZNQCLSA-N 0 0 345.870 5.271 40 0 EKABRN COc1cc(C)c([C@@H](C)NC(=O)c2cccc(Cl)c2)cc1C(C)C ZINC000223263027 564039459 /nfs/dbraw/zinc/03/94/59/564039459.db2.gz ZGFQLGUJJBLILT-CQSZACIVSA-N 0 0 345.870 5.271 40 0 EKABRN COc1cc(C)c([C@H](C)NC(=O)c2cccc(Cl)c2)cc1C(C)C ZINC000223263087 536623040 /nfs/dbraw/zinc/62/30/40/536623040.db2.gz ZGFQLGUJJBLILT-AWEZNQCLSA-N 0 0 345.870 5.271 40 0 EKABRN COc1cc(C)c([C@@H](C)NC(=O)/C=C/c2ccccc2)cc1C(C)C ZINC000223264364 564039448 /nfs/dbraw/zinc/03/94/48/564039448.db2.gz QOHXLWKUJLYLPW-FMQWLBJXSA-N 0 0 337.463 5.018 40 0 EKABRN COc1cc(C)c([C@H](C)NC(=O)/C=C/c2ccccc2)cc1C(C)C ZINC000223264418 564039458 /nfs/dbraw/zinc/03/94/58/564039458.db2.gz QOHXLWKUJLYLPW-FLVLSHQESA-N 0 0 337.463 5.018 40 0 EKABRN COc1cc(C)c([C@@H](C)NC(=O)Nc2ccccc2)cc1C(C)C ZINC000223265510 564039449 /nfs/dbraw/zinc/03/94/49/564039449.db2.gz HAHYTSOVSORXQG-OAHLLOKOSA-N 0 0 326.440 5.010 40 0 EKABRN COc1cc(C)c([C@H](C)NC(=O)Nc2ccccc2)cc1C(C)C ZINC000223265559 564039445 /nfs/dbraw/zinc/03/94/45/564039445.db2.gz HAHYTSOVSORXQG-HNNXBMFYSA-N 0 0 326.440 5.010 40 0 EKABRN COc1cc(C)c([C@@H](C)NC(=S)Nc2ccccc2)cc1C(C)C ZINC000223265637 564039451 /nfs/dbraw/zinc/03/94/51/564039451.db2.gz KUBXJRWNMHZQHZ-OAHLLOKOSA-N 0 0 342.508 5.175 40 0 EKABRN COc1cc(C)c([C@H](C)NC(=S)Nc2ccccc2)cc1C(C)C ZINC000223265704 564039465 /nfs/dbraw/zinc/03/94/65/564039465.db2.gz KUBXJRWNMHZQHZ-HNNXBMFYSA-N 0 0 342.508 5.175 40 0 EKABRN Cc1cccc([C@@H](NC(=O)c2cc(C)ccc2C)c2ccccc2)c1 ZINC000223302250 564039527 /nfs/dbraw/zinc/03/95/27/564039527.db2.gz LFPPCGZCAVBOPG-QFIPXVFZSA-N 0 0 329.443 5.131 40 0 EKABRN Cc1cccc([C@H](NC(=O)c2cc(C)ccc2C)c2ccccc2)c1 ZINC000223302310 564039540 /nfs/dbraw/zinc/03/95/40/564039540.db2.gz LFPPCGZCAVBOPG-JOCHJYFZSA-N 0 0 329.443 5.131 40 0 EKABRN O=C(Cc1cccc(Cl)c1)Nc1ccccc1Oc1ccccc1 ZINC000223311679 241632736 /nfs/dbraw/zinc/63/27/36/241632736.db2.gz MOZQRWYXFUWCHH-UHFFFAOYSA-N 0 0 337.806 5.314 40 0 EKABRN Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)c(C)c1 ZINC000223321991 564039544 /nfs/dbraw/zinc/03/95/44/564039544.db2.gz BVSOUFOJVZSUSH-QFIPXVFZSA-N 0 0 329.443 5.131 40 0 EKABRN Cc1ccc(C(=O)N[C@H](c2ccccc2)c2cccc(C)c2)c(C)c1 ZINC000223322039 564039541 /nfs/dbraw/zinc/03/95/41/564039541.db2.gz BVSOUFOJVZSUSH-JOCHJYFZSA-N 0 0 329.443 5.131 40 0 EKABRN CC(C)(C)c1ccc(/C=C/C(=O)NC(C)(C)Cc2ccccc2)cc1 ZINC000223325672 241635981 /nfs/dbraw/zinc/63/59/81/241635981.db2.gz KYVJYGPQKGUGDQ-DTQAZKPQSA-N 0 0 335.491 5.135 40 0 EKABRN O=C(CSCc1ccc(Cl)cc1F)Nc1ccccc1Cl ZINC000223339000 241636017 /nfs/dbraw/zinc/63/60/17/241636017.db2.gz MJVJYWOOGKAMAW-UHFFFAOYSA-N 0 0 344.238 5.004 40 0 EKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(C)C)c1 ZINC000223345293 564039608 /nfs/dbraw/zinc/03/96/08/564039608.db2.gz WAKIVEPXONCIGY-KRWDZBQOSA-N 0 0 339.479 5.648 40 0 EKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(C)C)c1 ZINC000223345347 564039617 /nfs/dbraw/zinc/03/96/17/564039617.db2.gz WAKIVEPXONCIGY-QGZVFWFLSA-N 0 0 339.479 5.648 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 ZINC000223350246 564039652 /nfs/dbraw/zinc/03/96/52/564039652.db2.gz WWJMLAFEEDQXLR-QZTJIDSGSA-N 0 0 339.479 5.072 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 ZINC000223350299 564039643 /nfs/dbraw/zinc/03/96/43/564039643.db2.gz WWJMLAFEEDQXLR-ZWKOTPCHSA-N 0 0 339.479 5.072 40 0 EKABRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 ZINC000223350353 564039655 /nfs/dbraw/zinc/03/96/55/564039655.db2.gz WWJMLAFEEDQXLR-MSOLQXFVSA-N 0 0 339.479 5.072 40 0 EKABRN Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 ZINC000223350408 241637119 /nfs/dbraw/zinc/63/71/19/241637119.db2.gz WWJMLAFEEDQXLR-ROUUACIJSA-N 0 0 339.479 5.072 40 0 EKABRN CCSc1ccccc1NC(=O)COc1cc(C)ccc1C(C)C ZINC000223371763 564039685 /nfs/dbraw/zinc/03/96/85/564039685.db2.gz SBWFNDFGULWVSY-UHFFFAOYSA-N 0 0 343.492 5.248 40 0 EKABRN COc1ccc(Oc2ccc(Cl)cc2NC(=O)C2CCCC2)cc1 ZINC000223375348 564039684 /nfs/dbraw/zinc/03/96/84/564039684.db2.gz GHTUHBPRFUKRIK-UHFFFAOYSA-N 0 0 345.826 5.270 40 0 EKABRN O=C(/C=C/c1ccc(F)cc1)Nc1ccc2c(c1)oc1ccccc12 ZINC000223378627 564039695 /nfs/dbraw/zinc/03/96/95/564039695.db2.gz ULAJFDRSGZYRPG-KPKJPENVSA-N 0 0 331.346 5.377 40 0 EKABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)cc2C)cc1C(C)C ZINC000223378908 564039714 /nfs/dbraw/zinc/03/97/14/564039714.db2.gz PFFSMQLFIMFCQY-QGZVFWFLSA-N 0 0 339.479 5.235 40 0 EKABRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(C)cc2C)cc1C(C)C ZINC000223378963 536623299 /nfs/dbraw/zinc/62/32/99/536623299.db2.gz PFFSMQLFIMFCQY-KRWDZBQOSA-N 0 0 339.479 5.235 40 0 EKABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c(C)c2)cc1C(C)C ZINC000223379053 241639559 /nfs/dbraw/zinc/63/95/59/241639559.db2.gz HKIDQQWESBIIQD-QGZVFWFLSA-N 0 0 339.479 5.235 40 0 EKABRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c(C)c2)cc1C(C)C ZINC000223379120 564039710 /nfs/dbraw/zinc/03/97/10/564039710.db2.gz HKIDQQWESBIIQD-KRWDZBQOSA-N 0 0 339.479 5.235 40 0 EKABRN COc1cc(C)c([C@@H](C)NC(=O)c2cc(C)ccc2C)cc1C(C)C ZINC000223379222 564039722 /nfs/dbraw/zinc/03/97/22/564039722.db2.gz QLHSPBFYDKQBSQ-QGZVFWFLSA-N 0 0 339.479 5.235 40 0 EKABRN COc1cc(C)c([C@H](C)NC(=O)c2cc(C)ccc2C)cc1C(C)C ZINC000223379282 564039706 /nfs/dbraw/zinc/03/97/06/564039706.db2.gz QLHSPBFYDKQBSQ-KRWDZBQOSA-N 0 0 339.479 5.235 40 0 EKABRN CC(C)(C)c1ccc(/C=C/C(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000223383430 564039712 /nfs/dbraw/zinc/03/97/12/564039712.db2.gz RPKRFZUCXLEBOK-MDWZMJQESA-N 0 0 341.882 5.010 40 0 EKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2c3c(cccc31)CC2 ZINC000223386489 564039746 /nfs/dbraw/zinc/03/97/46/564039746.db2.gz XKZORPDXUAOESG-AWNIVKPZSA-N 0 0 333.818 5.244 40 0 EKABRN COc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000223386896 564039736 /nfs/dbraw/zinc/03/97/36/564039736.db2.gz SBSCLKGZWXADAI-JLHYYAGUSA-N 0 0 343.382 5.247 40 0 EKABRN Cc1ccc(SCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 ZINC000223388470 241642671 /nfs/dbraw/zinc/64/26/71/241642671.db2.gz ONDADLDURVPKMM-UHFFFAOYSA-N 0 0 347.439 5.625 40 0 EKABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC(C)(C)CC(C)(C)C ZINC000223390026 564039755 /nfs/dbraw/zinc/03/97/55/564039755.db2.gz IXKZKYDKLVBAFP-GFCCVEGCSA-N 0 0 327.921 5.152 40 0 EKABRN C[C@H](Sc1ccc(Cl)cc1)C(=O)NC(C)(C)CC(C)(C)C ZINC000223390080 564039737 /nfs/dbraw/zinc/03/97/37/564039737.db2.gz IXKZKYDKLVBAFP-LBPRGKRZSA-N 0 0 327.921 5.152 40 0 EKABRN CCCC[C@@H](CC)CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000223390420 564039743 /nfs/dbraw/zinc/03/97/43/564039743.db2.gz MPPISEKHCDFDMY-ZIAGYGMSSA-N 0 0 327.921 5.153 40 0 EKABRN CCCC[C@H](CC)CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000223390484 564039733 /nfs/dbraw/zinc/03/97/33/564039733.db2.gz MPPISEKHCDFDMY-KGLIPLIRSA-N 0 0 327.921 5.153 40 0 EKABRN CCCC[C@@H](CC)CNC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000223390537 241642678 /nfs/dbraw/zinc/64/26/78/241642678.db2.gz MPPISEKHCDFDMY-UONOGXRCSA-N 0 0 327.921 5.153 40 0 EKABRN CCCC[C@H](CC)CNC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000223390601 564039731 /nfs/dbraw/zinc/03/97/31/564039731.db2.gz MPPISEKHCDFDMY-KBPBESRZSA-N 0 0 327.921 5.153 40 0 EKABRN Cc1ccc(CCC(=O)NC(c2ccccc2)c2ccccc2)cc1C ZINC000223391575 564039778 /nfs/dbraw/zinc/03/97/78/564039778.db2.gz DWJFHAZXRGUZPV-UHFFFAOYSA-N 0 0 343.470 5.142 40 0 EKABRN O=C(NCC1=CCCCC1)c1ccc(CSc2ccccc2)cc1 ZINC000223392546 564039777 /nfs/dbraw/zinc/03/97/77/564039777.db2.gz OENYSMSHKPVVON-UHFFFAOYSA-N 0 0 337.488 5.209 40 0 EKABRN O=C(NCC1CCCCC1)c1ccc(CSc2ccccc2)cc1 ZINC000223394309 241644996 /nfs/dbraw/zinc/64/49/96/241644996.db2.gz WEKLYOWIZAQUEW-UHFFFAOYSA-N 0 0 339.504 5.289 40 0 EKABRN Cc1cc(C)c([C@@H](C)NC(=O)/C=C/c2ccccc2Cl)cc1C ZINC000223394876 241645732 /nfs/dbraw/zinc/64/57/32/241645732.db2.gz FBTXGQWALJWAGR-ZNFPLGDCSA-N 0 0 327.855 5.156 40 0 EKABRN Cc1cc(C)c([C@H](C)NC(=O)/C=C/c2ccccc2Cl)cc1C ZINC000223394922 564039767 /nfs/dbraw/zinc/03/97/67/564039767.db2.gz FBTXGQWALJWAGR-SCOAYWHSSA-N 0 0 327.855 5.156 40 0 EKABRN Cc1cc(C)c([C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1C ZINC000223396265 564039780 /nfs/dbraw/zinc/03/97/80/564039780.db2.gz NCRWQHHYMTXMGA-YFPIXMDGSA-N 0 0 349.518 5.800 40 0 EKABRN Cc1cc(C)c([C@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1C ZINC000223396323 564039772 /nfs/dbraw/zinc/03/97/72/564039772.db2.gz NCRWQHHYMTXMGA-QHSLDKKCSA-N 0 0 349.518 5.800 40 0 EKABRN Cc1cc(C)c([C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2)cc1C ZINC000223396418 564039787 /nfs/dbraw/zinc/03/97/87/564039787.db2.gz VOEFMBMOJYCDAR-OJXHRBAXSA-N 0 0 327.855 5.156 40 0 EKABRN Cc1cc(C)c([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2)cc1C ZINC000223396467 564039768 /nfs/dbraw/zinc/03/97/68/564039768.db2.gz VOEFMBMOJYCDAR-JCVNQNCUSA-N 0 0 327.855 5.156 40 0 EKABRN O=C(CSCc1ccccc1)Nc1ccc2c(c1)oc1ccccc12 ZINC000223396589 564039779 /nfs/dbraw/zinc/03/97/79/564039779.db2.gz GZOKFBCSUFGJSV-UHFFFAOYSA-N 0 0 347.439 5.458 40 0 EKABRN Cc1cc(C)c([C@@H](C)NC(=O)CSc2ccc(Cl)cc2)cc1C ZINC000223396981 241643996 /nfs/dbraw/zinc/64/39/96/241643996.db2.gz ZTKXZIROJAIHKL-OAHLLOKOSA-N 0 0 347.911 5.235 40 0 EKABRN Cc1cc(C)c([C@H](C)NC(=O)CSc2ccc(Cl)cc2)cc1C ZINC000223397044 564039758 /nfs/dbraw/zinc/03/97/58/564039758.db2.gz ZTKXZIROJAIHKL-HNNXBMFYSA-N 0 0 347.911 5.235 40 0 EKABRN Cc1ccccc1CSCC(=O)N[C@@H](C)c1cc(C)c(C)cc1C ZINC000223397812 564039817 /nfs/dbraw/zinc/03/98/17/564039817.db2.gz MSZQFERWIBEFIC-SFHVURJKSA-N 0 0 341.520 5.031 40 0 EKABRN Cc1ccccc1CSCC(=O)N[C@H](C)c1cc(C)c(C)cc1C ZINC000223397876 564039804 /nfs/dbraw/zinc/03/98/04/564039804.db2.gz MSZQFERWIBEFIC-GOSISDBHSA-N 0 0 341.520 5.031 40 0 EKABRN Cc1ccc(CSCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000223397954 564039794 /nfs/dbraw/zinc/03/97/94/564039794.db2.gz KKVNUIGNYDABLE-SFHVURJKSA-N 0 0 341.520 5.031 40 0 EKABRN Cc1ccc(CSCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000223398015 564039790 /nfs/dbraw/zinc/03/97/90/564039790.db2.gz KKVNUIGNYDABLE-GOSISDBHSA-N 0 0 341.520 5.031 40 0 EKABRN Cc1ccccc1CSCC(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000223398697 564039807 /nfs/dbraw/zinc/03/98/07/564039807.db2.gz UHKJKQFKJUBFFU-UHFFFAOYSA-N 0 0 347.483 5.119 40 0 EKABRN Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1C ZINC000223399083 564039813 /nfs/dbraw/zinc/03/98/13/564039813.db2.gz NQQALHDSQQAGJW-QZTJIDSGSA-N 0 0 341.520 5.111 40 0 EKABRN Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1C ZINC000223399152 564039799 /nfs/dbraw/zinc/03/97/99/564039799.db2.gz NQQALHDSQQAGJW-ZWKOTPCHSA-N 0 0 341.520 5.111 40 0 EKABRN Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1C ZINC000223399202 564039797 /nfs/dbraw/zinc/03/97/97/564039797.db2.gz NQQALHDSQQAGJW-MSOLQXFVSA-N 0 0 341.520 5.111 40 0 EKABRN Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1C ZINC000223399262 564039809 /nfs/dbraw/zinc/03/98/09/564039809.db2.gz NQQALHDSQQAGJW-ROUUACIJSA-N 0 0 341.520 5.111 40 0 EKABRN Cc1ccc(CSCC(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000223400272 241645916 /nfs/dbraw/zinc/64/59/16/241645916.db2.gz QTUFDIJCYWASNO-UHFFFAOYSA-N 0 0 347.483 5.119 40 0 EKABRN Cc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000223401662 564039839 /nfs/dbraw/zinc/03/98/39/564039839.db2.gz XPTQHWCMDGYJNN-ROUUACIJSA-N 0 0 341.520 5.278 40 0 EKABRN Cc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000223401723 564039831 /nfs/dbraw/zinc/03/98/31/564039831.db2.gz XPTQHWCMDGYJNN-ZWKOTPCHSA-N 0 0 341.520 5.278 40 0 EKABRN Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000223401777 564039834 /nfs/dbraw/zinc/03/98/34/564039834.db2.gz XPTQHWCMDGYJNN-MSOLQXFVSA-N 0 0 341.520 5.278 40 0 EKABRN Cc1ccc(S[C@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000223401848 241644836 /nfs/dbraw/zinc/64/48/36/241644836.db2.gz XPTQHWCMDGYJNN-QZTJIDSGSA-N 0 0 341.520 5.278 40 0 EKABRN Cc1ccc(SCCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000223401928 564039836 /nfs/dbraw/zinc/03/98/36/564039836.db2.gz IIPIAFLUPCKAFX-SFHVURJKSA-N 0 0 341.520 5.280 40 0 EKABRN Cc1ccc(SCCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000223402001 564039824 /nfs/dbraw/zinc/03/98/24/564039824.db2.gz IIPIAFLUPCKAFX-GOSISDBHSA-N 0 0 341.520 5.280 40 0 EKABRN Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1C ZINC000223402361 241645243 /nfs/dbraw/zinc/64/52/43/241645243.db2.gz APDGOBGVLLTXCF-LJQANCHMSA-N 0 0 343.470 5.770 40 0 EKABRN Cc1cc(C)c([C@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1C ZINC000223402418 564039848 /nfs/dbraw/zinc/03/98/48/564039848.db2.gz APDGOBGVLLTXCF-IBGZPJMESA-N 0 0 343.470 5.770 40 0 EKABRN C[C@@H](Sc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000223409996 241647009 /nfs/dbraw/zinc/64/70/09/241647009.db2.gz YMROWOSOZNPBTE-CQSZACIVSA-N 0 0 347.439 5.705 40 0 EKABRN C[C@H](Sc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000223410052 241647332 /nfs/dbraw/zinc/64/73/32/241647332.db2.gz YMROWOSOZNPBTE-AWEZNQCLSA-N 0 0 347.439 5.705 40 0 EKABRN C[C@@H](Sc1ccccc1)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000223410989 564039849 /nfs/dbraw/zinc/03/98/49/564039849.db2.gz UCLNUGDRYFITLB-CQSZACIVSA-N 0 0 333.456 5.058 40 0 EKABRN C[C@H](Sc1ccccc1)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000223411044 564039873 /nfs/dbraw/zinc/03/98/73/564039873.db2.gz UCLNUGDRYFITLB-AWEZNQCLSA-N 0 0 333.456 5.058 40 0 EKABRN C[C@@H](SCc1ccccc1)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000223413421 241647122 /nfs/dbraw/zinc/64/71/22/241647122.db2.gz FXPXMPKZPDYSKQ-OAHLLOKOSA-N 0 0 347.483 5.199 40 0 EKABRN C[C@H](SCc1ccccc1)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000223413462 564039906 /nfs/dbraw/zinc/03/99/06/564039906.db2.gz FXPXMPKZPDYSKQ-HNNXBMFYSA-N 0 0 347.483 5.199 40 0 EKABRN O=C(CCSc1ccccc1)Nc1ccc2c(c1)oc1ccccc12 ZINC000223417033 564039895 /nfs/dbraw/zinc/03/98/95/564039895.db2.gz OJCXQZPXHNBSMN-UHFFFAOYSA-N 0 0 347.439 5.707 40 0 EKABRN O=C(CCSc1ccccc1)Nc1ccc2c3c(cccc31)CC2 ZINC000223417485 564039914 /nfs/dbraw/zinc/03/99/14/564039914.db2.gz CXWWHFVMZFQOTH-UHFFFAOYSA-N 0 0 333.456 5.059 40 0 EKABRN CC(C)(C)CC(C)(C)NC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000223429446 564039934 /nfs/dbraw/zinc/03/99/34/564039934.db2.gz QYZIOBSLAPWAOI-NBVRZTHBSA-N 0 0 325.452 5.151 40 0 EKABRN CCCC[C@@H](CC)CNC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000223429702 564039938 /nfs/dbraw/zinc/03/99/38/564039938.db2.gz WXNOSZHWENBZOK-FABDANFUSA-N 0 0 325.452 5.153 40 0 EKABRN CCCC[C@H](CC)CNC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000223429769 564039966 /nfs/dbraw/zinc/03/99/66/564039966.db2.gz WXNOSZHWENBZOK-AWZALFRUSA-N 0 0 325.452 5.153 40 0 EKABRN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000223440042 564040019 /nfs/dbraw/zinc/04/00/19/564040019.db2.gz RKVBQXDWHTYORC-HNNXBMFYSA-N 0 0 347.483 5.366 40 0 EKABRN Cc1ccc(S[C@H](C)C(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000223440100 564040007 /nfs/dbraw/zinc/04/00/07/564040007.db2.gz RKVBQXDWHTYORC-OAHLLOKOSA-N 0 0 347.483 5.366 40 0 EKABRN C[C@@H](CNC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccccc1 ZINC000223448223 564040075 /nfs/dbraw/zinc/04/00/75/564040075.db2.gz JXFFEJUWPXYTSW-SNAUHIFDSA-N 0 0 341.454 5.147 40 0 EKABRN C[C@H](CNC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccccc1 ZINC000223448280 564040082 /nfs/dbraw/zinc/04/00/82/564040082.db2.gz JXFFEJUWPXYTSW-BFWROUECSA-N 0 0 341.454 5.147 40 0 EKABRN COCc1cccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 ZINC000223449175 241652025 /nfs/dbraw/zinc/65/20/25/241652025.db2.gz KMXMFEVQMVIACD-CJLVFECKSA-N 0 0 343.426 5.012 40 0 EKABRN Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 ZINC000223449817 564040057 /nfs/dbraw/zinc/04/00/57/564040057.db2.gz WBFUIPGAWYALHY-JLHYYAGUSA-N 0 0 327.383 5.546 40 0 EKABRN Cc1cc(C)c([C@@H](C)NC(=O)COc2cccc3ccccc32)cc1C ZINC000223450996 564040068 /nfs/dbraw/zinc/04/00/68/564040068.db2.gz YFGHNFVXMHLSNX-GOSISDBHSA-N 0 0 347.458 5.021 40 0 EKABRN Cc1cc(C)c([C@H](C)NC(=O)COc2cccc3ccccc32)cc1C ZINC000223451051 564040069 /nfs/dbraw/zinc/04/00/69/564040069.db2.gz YFGHNFVXMHLSNX-SFHVURJKSA-N 0 0 347.458 5.021 40 0 EKABRN Cc1cc(C)c([C@@H](C)NC(=O)CCSCc2ccccc2)cc1C ZINC000223453265 564040099 /nfs/dbraw/zinc/04/00/99/564040099.db2.gz NTXJCEQUCMBLLA-GOSISDBHSA-N 0 0 341.520 5.113 40 0 EKABRN Cc1cc(C)c([C@H](C)NC(=O)CCSCc2ccccc2)cc1C ZINC000223453333 564040094 /nfs/dbraw/zinc/04/00/94/564040094.db2.gz NTXJCEQUCMBLLA-SFHVURJKSA-N 0 0 341.520 5.113 40 0 EKABRN CC(C)(C)CC(C)(C)NC(=O)CSCc1c(F)cccc1Cl ZINC000223455441 564040147 /nfs/dbraw/zinc/04/01/47/564040147.db2.gz UKGBKFRADNWIAM-UHFFFAOYSA-N 0 0 345.911 5.043 40 0 EKABRN CCCC[C@@H](CC)CNC(=O)CSCc1c(F)cccc1Cl ZINC000223455693 564040141 /nfs/dbraw/zinc/04/01/41/564040141.db2.gz LYGWMYDPYVAYSZ-CYBMUJFWSA-N 0 0 345.911 5.045 40 0 EKABRN CCCC[C@H](CC)CNC(=O)CSCc1c(F)cccc1Cl ZINC000223455755 564040145 /nfs/dbraw/zinc/04/01/45/564040145.db2.gz LYGWMYDPYVAYSZ-ZDUSSCGKSA-N 0 0 345.911 5.045 40 0 EKABRN COc1cc2ccccc2cc1C(=O)N[C@@H](C)c1cc(C)c(C)cc1C ZINC000223467619 564040155 /nfs/dbraw/zinc/04/01/55/564040155.db2.gz QAVXVSRSWAFGPA-KRWDZBQOSA-N 0 0 347.458 5.265 40 0 EKABRN COc1cc2ccccc2cc1C(=O)N[C@H](C)c1cc(C)c(C)cc1C ZINC000223467679 564040172 /nfs/dbraw/zinc/04/01/72/564040172.db2.gz QAVXVSRSWAFGPA-QGZVFWFLSA-N 0 0 347.458 5.265 40 0 EKABRN CCSc1ccccc1C(=O)N[C@@H](C)c1cc(C)c(C)cc1C ZINC000223474434 564040206 /nfs/dbraw/zinc/04/02/06/564040206.db2.gz AMOIOZPGKIVEND-INIZCTEOSA-N 0 0 327.493 5.215 40 0 EKABRN CCSc1ccccc1C(=O)N[C@H](C)c1cc(C)c(C)cc1C ZINC000223474495 564040208 /nfs/dbraw/zinc/04/02/08/564040208.db2.gz AMOIOZPGKIVEND-MRXNPFEDSA-N 0 0 327.493 5.215 40 0 EKABRN Cc1cc(C)c([C@@H](C)NC(=O)c2ccccc2SC(C)C)cc1C ZINC000223474584 564040181 /nfs/dbraw/zinc/04/01/81/564040181.db2.gz HFVUEDOGEZPOSL-QGZVFWFLSA-N 0 0 341.520 5.603 40 0 EKABRN Cc1cc(C)c([C@H](C)NC(=O)c2ccccc2SC(C)C)cc1C ZINC000223474643 564040214 /nfs/dbraw/zinc/04/02/14/564040214.db2.gz HFVUEDOGEZPOSL-KRWDZBQOSA-N 0 0 341.520 5.603 40 0 EKABRN CCC1(CC)C[C@@H](NC(=O)c2ccc(C)cc2C)c2ccccc2O1 ZINC000223476183 564040192 /nfs/dbraw/zinc/04/01/92/564040192.db2.gz XJKVDRDJNZARTL-LJQANCHMSA-N 0 0 337.463 5.116 40 0 EKABRN CCC1(CC)C[C@H](NC(=O)c2ccc(C)cc2C)c2ccccc2O1 ZINC000223476233 564040189 /nfs/dbraw/zinc/04/01/89/564040189.db2.gz XJKVDRDJNZARTL-IBGZPJMESA-N 0 0 337.463 5.116 40 0 EKABRN Cc1cc(C)c([C@@H](C)NC(=O)CCc2ccccc2Cl)cc1C ZINC000223478382 564040183 /nfs/dbraw/zinc/04/01/83/564040183.db2.gz OOASWNNTMVSEJN-MRXNPFEDSA-N 0 0 329.871 5.075 40 0 EKABRN Cc1cc(C)c([C@H](C)NC(=O)CCc2ccccc2Cl)cc1C ZINC000223478436 564040185 /nfs/dbraw/zinc/04/01/85/564040185.db2.gz OOASWNNTMVSEJN-INIZCTEOSA-N 0 0 329.871 5.075 40 0 EKABRN CCC1(CC)C[C@@H](NC(=O)c2ccc(C)c(C)c2)c2ccccc2O1 ZINC000223478461 564040180 /nfs/dbraw/zinc/04/01/80/564040180.db2.gz YQRADGJBKJBDJW-LJQANCHMSA-N 0 0 337.463 5.116 40 0 EKABRN CCC1(CC)C[C@H](NC(=O)c2ccc(C)c(C)c2)c2ccccc2O1 ZINC000223478514 564040198 /nfs/dbraw/zinc/04/01/98/564040198.db2.gz YQRADGJBKJBDJW-IBGZPJMESA-N 0 0 337.463 5.116 40 0 EKABRN Cc1cc(C)c([C@@H](C)NC(=O)CCc2cccc3ccccc32)cc1C ZINC000223488907 241657491 /nfs/dbraw/zinc/65/74/91/241657491.db2.gz WQHZONIVOOAVFA-LJQANCHMSA-N 0 0 345.486 5.575 40 0 EKABRN Cc1cc(C)c([C@H](C)NC(=O)CCc2cccc3ccccc32)cc1C ZINC000223488958 564040235 /nfs/dbraw/zinc/04/02/35/564040235.db2.gz WQHZONIVOOAVFA-IBGZPJMESA-N 0 0 345.486 5.575 40 0 EKABRN Cc1cccc(CSCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 ZINC000223489592 564040245 /nfs/dbraw/zinc/04/02/45/564040245.db2.gz AHXZSCJKAJZSHM-SFHVURJKSA-N 0 0 341.520 5.031 40 0 EKABRN Cc1cccc(CSCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 ZINC000223489655 564040223 /nfs/dbraw/zinc/04/02/23/564040223.db2.gz AHXZSCJKAJZSHM-GOSISDBHSA-N 0 0 341.520 5.031 40 0 EKABRN Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc3ccccc3c2)cc1C ZINC000223491190 564040236 /nfs/dbraw/zinc/04/02/36/564040236.db2.gz KUAYMDLIFLAMJE-GOSISDBHSA-N 0 0 347.458 5.021 40 0 EKABRN Cc1cc(C)c([C@H](C)NC(=O)COc2ccc3ccccc3c2)cc1C ZINC000223491241 564040233 /nfs/dbraw/zinc/04/02/33/564040233.db2.gz KUAYMDLIFLAMJE-SFHVURJKSA-N 0 0 347.458 5.021 40 0 EKABRN CCOc1ccc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1Cl ZINC000223496815 564040259 /nfs/dbraw/zinc/04/02/59/564040259.db2.gz IVKZNHJNEYVMOL-HNNXBMFYSA-N 0 0 345.870 5.155 40 0 EKABRN CCOc1ccc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1Cl ZINC000223496875 564040266 /nfs/dbraw/zinc/04/02/66/564040266.db2.gz IVKZNHJNEYVMOL-OAHLLOKOSA-N 0 0 345.870 5.155 40 0 EKABRN Cc1cc(C)c([C@@H](C)NC(=O)C2(c3ccccc3)CCCC2)cc1C ZINC000223499133 564040263 /nfs/dbraw/zinc/04/02/63/564040263.db2.gz JULODWPKQCDJOQ-LJQANCHMSA-N 0 0 335.491 5.301 40 0 EKABRN Cc1cc(C)c([C@H](C)NC(=O)C2(c3ccccc3)CCCC2)cc1C ZINC000223499189 241659271 /nfs/dbraw/zinc/65/92/71/241659271.db2.gz JULODWPKQCDJOQ-IBGZPJMESA-N 0 0 335.491 5.301 40 0 EKABRN Cc1cc(C)c([C@@H](C)NC(=O)CCc2ccc(Cl)cc2)cc1C ZINC000223502824 564040247 /nfs/dbraw/zinc/04/02/47/564040247.db2.gz FLRLMQCHUHQQLB-MRXNPFEDSA-N 0 0 329.871 5.075 40 0 EKABRN Cc1cc(C)c([C@H](C)NC(=O)CCc2ccc(Cl)cc2)cc1C ZINC000223502884 564040305 /nfs/dbraw/zinc/04/03/05/564040305.db2.gz FLRLMQCHUHQQLB-INIZCTEOSA-N 0 0 329.871 5.075 40 0 EKABRN Cc1ccc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)c1 ZINC000223504579 564040307 /nfs/dbraw/zinc/04/03/07/564040307.db2.gz OURZJGHNKFVQAD-UHFFFAOYSA-N 0 0 331.415 5.277 40 0 EKABRN Cc1cc(C)c([C@@H](C)NC(=S)Nc2ccc(Cl)cc2)cc1C ZINC000223504799 564040306 /nfs/dbraw/zinc/04/03/06/564040306.db2.gz DQEFMIWXZOXLPA-CQSZACIVSA-N 0 0 332.900 5.313 40 0 EKABRN Cc1cc(C)c([C@H](C)NC(=S)Nc2ccc(Cl)cc2)cc1C ZINC000223504874 241659649 /nfs/dbraw/zinc/65/96/49/241659649.db2.gz DQEFMIWXZOXLPA-AWEZNQCLSA-N 0 0 332.900 5.313 40 0 EKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1C ZINC000223522140 241662960 /nfs/dbraw/zinc/66/29/60/241662960.db2.gz VSUJFQPZEPBAMP-INIZCTEOSA-N 0 0 339.479 5.182 40 0 EKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1C ZINC000223522201 564040310 /nfs/dbraw/zinc/04/03/10/564040310.db2.gz VSUJFQPZEPBAMP-MRXNPFEDSA-N 0 0 339.479 5.182 40 0 EKABRN CCOc1ccc(C(=O)Nc2ccccc2SCC)cc1Cl ZINC000223529000 564040335 /nfs/dbraw/zinc/04/03/35/564040335.db2.gz AASZULFUMJRXLZ-UHFFFAOYSA-N 0 0 335.856 5.103 40 0 EKABRN CCc1ccc(CC)c(CNC(=O)CCc2cccc3ccccc32)c1 ZINC000223567701 564040362 /nfs/dbraw/zinc/04/03/62/564040362.db2.gz BGOFVKDSRAPHCC-UHFFFAOYSA-N 0 0 345.486 5.214 40 0 EKABRN CCc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C ZINC000223569025 564040365 /nfs/dbraw/zinc/04/03/65/564040365.db2.gz LVGZDGQGBKHBSH-MRXNPFEDSA-N 0 0 325.452 5.087 40 0 EKABRN CCc1ccccc1NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C ZINC000223569075 564040351 /nfs/dbraw/zinc/04/03/51/564040351.db2.gz LVGZDGQGBKHBSH-INIZCTEOSA-N 0 0 325.452 5.087 40 0 EKABRN Cc1ccc(CCC(=O)Nc2ccccc2-c2ccccc2)cc1C ZINC000223589314 564040439 /nfs/dbraw/zinc/04/04/39/564040439.db2.gz NXJVZHIMBHDSCC-UHFFFAOYSA-N 0 0 329.443 5.542 40 0 EKABRN C[C@@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc(C(C)(C)C)cc1 ZINC000223626267 564040459 /nfs/dbraw/zinc/04/04/59/564040459.db2.gz MZEKXPYKVAHONK-CYBMUJFWSA-N 0 0 347.861 5.197 40 0 EKABRN C[C@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc(C(C)(C)C)cc1 ZINC000223626312 564040467 /nfs/dbraw/zinc/04/04/67/564040467.db2.gz MZEKXPYKVAHONK-ZDUSSCGKSA-N 0 0 347.861 5.197 40 0 EKABRN CCCCC/C=C/C/C=C/C=C/C=C\[C@@H]1O[C@H]1CCCC(=O)OC ZINC000223647810 564029048 /nfs/dbraw/zinc/02/90/48/564029048.db2.gz WTKAVFHPLJFCMZ-CWQXLODJSA-N 0 0 332.484 5.292 40 0 EKABRN CC[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(C)cc1C ZINC000223657088 564040542 /nfs/dbraw/zinc/04/05/42/564040542.db2.gz OISONZTWAJVLID-OAQYLSRUSA-N 0 0 335.491 5.383 40 0 EKABRN CC[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(C)cc1C ZINC000223657139 564040537 /nfs/dbraw/zinc/04/05/37/564040537.db2.gz OISONZTWAJVLID-NRFANRHFSA-N 0 0 335.491 5.383 40 0 EKABRN CCc1ccc(CC(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)cc1 ZINC000223697606 564040657 /nfs/dbraw/zinc/04/06/57/564040657.db2.gz GUKCWYCTCOSBJA-DEOSSOPVSA-N 0 0 343.470 5.006 40 0 EKABRN CCc1ccc(CC(=O)N[C@H](c2ccccc2)c2cccc(C)c2)cc1 ZINC000223697658 564040640 /nfs/dbraw/zinc/04/06/40/564040640.db2.gz GUKCWYCTCOSBJA-XMMPIXPASA-N 0 0 343.470 5.006 40 0 EKABRN Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c(C)c1 ZINC000223726177 564040724 /nfs/dbraw/zinc/04/07/24/564040724.db2.gz KEMLJZNXVJUHAU-QHCPKHFHSA-N 0 0 343.470 5.440 40 0 EKABRN Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2C)c(C)c1 ZINC000223726216 241685317 /nfs/dbraw/zinc/68/53/17/241685317.db2.gz KEMLJZNXVJUHAU-HSZRJFAPSA-N 0 0 343.470 5.440 40 0 EKABRN CCOc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1C ZINC000223741031 564040747 /nfs/dbraw/zinc/04/07/47/564040747.db2.gz CKZCQLVYNAYINK-UHFFFAOYSA-N 0 0 331.415 5.313 40 0 EKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000223755997 564040770 /nfs/dbraw/zinc/04/07/70/564040770.db2.gz PKNFGPKPVODLMQ-ZDUSSCGKSA-N 0 0 349.833 5.317 40 0 EKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000223756053 564040782 /nfs/dbraw/zinc/04/07/82/564040782.db2.gz PKNFGPKPVODLMQ-CYBMUJFWSA-N 0 0 349.833 5.317 40 0 EKABRN Cc1ccc(CCC(=O)NCCCc2cccc3ccccc32)cc1C ZINC000223770052 564040830 /nfs/dbraw/zinc/04/08/30/564040830.db2.gz KFNOKQFSUCXARB-UHFFFAOYSA-N 0 0 345.486 5.138 40 0 EKABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1cccc2ccccc21 ZINC000223788556 564040861 /nfs/dbraw/zinc/04/08/61/564040861.db2.gz SEZAPEZHAKOFTQ-MRXNPFEDSA-N 0 0 345.442 5.125 40 0 EKABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1cccc2ccccc21 ZINC000223788606 564040859 /nfs/dbraw/zinc/04/08/59/564040859.db2.gz SEZAPEZHAKOFTQ-INIZCTEOSA-N 0 0 345.442 5.125 40 0 EKABRN CCc1ccc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000223791521 564040868 /nfs/dbraw/zinc/04/08/68/564040868.db2.gz LDQZNAWSTWFZRL-UHFFFAOYSA-N 0 0 341.760 5.102 40 0 EKABRN Cc1ccccc1[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000223791983 564040885 /nfs/dbraw/zinc/04/08/85/564040885.db2.gz RHWSTSCPWTVVER-QFIPXVFZSA-N 0 0 349.861 5.097 40 0 EKABRN Cc1ccccc1[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000223792029 564040897 /nfs/dbraw/zinc/04/08/97/564040897.db2.gz RHWSTSCPWTVVER-JOCHJYFZSA-N 0 0 349.861 5.097 40 0 EKABRN Cc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)c(C)c1 ZINC000223872438 564041051 /nfs/dbraw/zinc/04/10/51/564041051.db2.gz JADIDSUWXNKMQX-UHFFFAOYSA-N 0 0 333.456 5.707 40 0 EKABRN CCc1ccc(CC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000223876009 564041035 /nfs/dbraw/zinc/04/10/35/564041035.db2.gz JXVCNDWFPLFPED-UHFFFAOYSA-N 0 0 331.415 5.223 40 0 EKABRN O=C(Cc1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000223944541 564041221 /nfs/dbraw/zinc/04/12/21/564041221.db2.gz RCMMWVWXJPCXRI-UHFFFAOYSA-N 0 0 348.151 5.193 40 0 EKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cccc3ccccc32)c1 ZINC000223992813 564041349 /nfs/dbraw/zinc/04/13/49/564041349.db2.gz IPKDRUWSCUYLQL-KRWDZBQOSA-N 0 0 347.458 5.678 40 0 EKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cccc3ccccc32)c1 ZINC000223992861 564041358 /nfs/dbraw/zinc/04/13/58/564041358.db2.gz IPKDRUWSCUYLQL-QGZVFWFLSA-N 0 0 347.458 5.678 40 0 EKABRN CCC1(CC)C[C@@H](NC(=O)c2cccc(Cl)c2)c2ccccc2O1 ZINC000223996845 564041353 /nfs/dbraw/zinc/04/13/53/564041353.db2.gz BJJILUZBQQHOLR-QGZVFWFLSA-N 0 0 343.854 5.152 40 0 EKABRN CCC1(CC)C[C@H](NC(=O)c2cccc(Cl)c2)c2ccccc2O1 ZINC000223996901 564041375 /nfs/dbraw/zinc/04/13/75/564041375.db2.gz BJJILUZBQQHOLR-KRWDZBQOSA-N 0 0 343.854 5.152 40 0 EKABRN CC(C)c1ccc(CCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000224004165 564041385 /nfs/dbraw/zinc/04/13/85/564041385.db2.gz DFJJIUQUXMSTOV-UHFFFAOYSA-N 0 0 349.396 5.078 40 0 EKABRN O=C(NCCc1ccc(Cl)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000224019101 241721591 /nfs/dbraw/zinc/72/15/91/241721591.db2.gz BZEQHGCQCVGVAH-UHFFFAOYSA-N 0 0 349.817 5.212 40 0 EKABRN C[C@@H](CNC(=O)c1cc2c(ccc3ccccc23)o1)c1ccccc1 ZINC000224019930 564041410 /nfs/dbraw/zinc/04/14/10/564041410.db2.gz LPIPSGNYJNUIDH-HNNXBMFYSA-N 0 0 329.399 5.120 40 0 EKABRN C[C@H](CNC(=O)c1cc2c(ccc3ccccc23)o1)c1ccccc1 ZINC000224019975 564041422 /nfs/dbraw/zinc/04/14/22/564041422.db2.gz LPIPSGNYJNUIDH-OAHLLOKOSA-N 0 0 329.399 5.120 40 0 EKABRN Cc1ccc(CCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 ZINC000224038521 241724358 /nfs/dbraw/zinc/72/43/58/241724358.db2.gz UJXVCRUVNLWXDH-UHFFFAOYSA-N 0 0 329.399 5.466 40 0 EKABRN CC[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(C)c(C)c1 ZINC000224056470 564041550 /nfs/dbraw/zinc/04/15/50/564041550.db2.gz VZLZCWIHUBDXNL-OAQYLSRUSA-N 0 0 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/nfs/dbraw/zinc/01/52/10/242015210.db2.gz VEQZZVFGEHVRCF-OAQYLSRUSA-N 0 0 349.515 5.488 40 0 EKABRN CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCCC)cc1C ZINC000225746258 242014983 /nfs/dbraw/zinc/01/49/83/242014983.db2.gz VEQZZVFGEHVRCF-NRFANRHFSA-N 0 0 349.515 5.488 40 0 EKABRN CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 ZINC000225746297 534958297 /nfs/dbraw/zinc/95/82/97/534958297.db2.gz BRUBCHANNDUBIX-LAUBAEHRSA-N 0 0 349.515 5.486 40 0 EKABRN CCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 ZINC000225746319 242014855 /nfs/dbraw/zinc/01/48/55/242014855.db2.gz BRUBCHANNDUBIX-UWJYYQICSA-N 0 0 349.515 5.486 40 0 EKABRN CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 ZINC000225746348 534957748 /nfs/dbraw/zinc/95/77/48/534957748.db2.gz BRUBCHANNDUBIX-DYESRHJHSA-N 0 0 349.515 5.486 40 0 EKABRN CCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 ZINC000225746375 242015357 /nfs/dbraw/zinc/01/53/57/242015357.db2.gz BRUBCHANNDUBIX-UTKZUKDTSA-N 0 0 349.515 5.486 40 0 EKABRN CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C)c1 ZINC000225746412 534958998 /nfs/dbraw/zinc/95/89/98/534958998.db2.gz AWZXNHWXONKKHZ-OAQYLSRUSA-N 0 0 349.515 5.344 40 0 EKABRN CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C)c1 ZINC000225746438 242014935 /nfs/dbraw/zinc/01/49/35/242014935.db2.gz AWZXNHWXONKKHZ-NRFANRHFSA-N 0 0 349.515 5.344 40 0 EKABRN CCCC[C@@](C)(OCCC)C(=O)Nc1cc(C)c(OCC)c(C)c1 ZINC000225746636 534957847 /nfs/dbraw/zinc/95/78/47/534957847.db2.gz MXGJXKDCYNZWCC-HXUWFJFHSA-N 0 0 335.488 5.016 40 0 EKABRN CCCC[C@](C)(OCCC)C(=O)Nc1cc(C)c(OCC)c(C)c1 ZINC000225746666 242015255 /nfs/dbraw/zinc/01/52/55/242015255.db2.gz MXGJXKDCYNZWCC-FQEVSTJZSA-N 0 0 335.488 5.016 40 0 EKABRN CCCC[C@@](C)(OCCC)C(=O)Nc1cc(C)c(OCCC)c(C)c1 ZINC000225746703 534958537 /nfs/dbraw/zinc/95/85/37/534958537.db2.gz FSXBYRZUSKGVAU-OAQYLSRUSA-N 0 0 349.515 5.406 40 0 EKABRN CCCC[C@](C)(OCCC)C(=O)Nc1cc(C)c(OCCC)c(C)c1 ZINC000225747500 242017572 /nfs/dbraw/zinc/01/75/72/242017572.db2.gz FSXBYRZUSKGVAU-NRFANRHFSA-N 0 0 349.515 5.406 40 0 EKABRN CCCC[C@@](C)(OCCC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 ZINC000225747541 534958259 /nfs/dbraw/zinc/95/82/59/534958259.db2.gz GJZHRJFRMKEEHN-OAQYLSRUSA-N 0 0 349.515 5.405 40 0 EKABRN CCCC[C@](C)(OCCC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 ZINC000225747571 242016739 /nfs/dbraw/zinc/01/67/39/242016739.db2.gz GJZHRJFRMKEEHN-NRFANRHFSA-N 0 0 349.515 5.405 40 0 EKABRN CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC)c(Cl)c1 ZINC000225748253 534957938 /nfs/dbraw/zinc/95/79/38/534957938.db2.gz KWCOOTXNDABPKF-GOSISDBHSA-N 0 0 341.879 5.053 40 0 EKABRN CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC)c(Cl)c1 ZINC000225748288 242016997 /nfs/dbraw/zinc/01/69/97/242016997.db2.gz KWCOOTXNDABPKF-SFHVURJKSA-N 0 0 341.879 5.053 40 0 EKABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)cc1 ZINC000225748510 242016902 /nfs/dbraw/zinc/01/69/02/242016902.db2.gz YEIAFAYMESPEFQ-HXUWFJFHSA-N 0 0 335.488 5.180 40 0 EKABRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)cc1 ZINC000225748535 535139172 /nfs/dbraw/zinc/13/91/72/535139172.db2.gz YEIAFAYMESPEFQ-FQEVSTJZSA-N 0 0 335.488 5.180 40 0 EKABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000225748563 535129302 /nfs/dbraw/zinc/12/93/02/535129302.db2.gz VGAWKOSMMVXVMO-HXUWFJFHSA-N 0 0 335.488 5.178 40 0 EKABRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000225748587 535139210 /nfs/dbraw/zinc/13/92/10/535139210.db2.gz VGAWKOSMMVXVMO-FQEVSTJZSA-N 0 0 335.488 5.178 40 0 EKABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCC)cc1 ZINC000225748626 242016179 /nfs/dbraw/zinc/01/61/79/242016179.db2.gz AZQGGRPBMSLALA-OAQYLSRUSA-N 0 0 349.515 5.570 40 0 EKABRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCC)cc1 ZINC000225748654 535139232 /nfs/dbraw/zinc/13/92/32/535139232.db2.gz AZQGGRPBMSLALA-NRFANRHFSA-N 0 0 349.515 5.570 40 0 EKABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 ZINC000225748691 242016755 /nfs/dbraw/zinc/01/67/55/242016755.db2.gz YBUOQLPQHFXRES-LAUBAEHRSA-N 0 0 349.515 5.568 40 0 EKABRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 ZINC000225748718 535139205 /nfs/dbraw/zinc/13/92/05/535139205.db2.gz YBUOQLPQHFXRES-UWJYYQICSA-N 0 0 349.515 5.568 40 0 EKABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1 ZINC000225748744 242017817 /nfs/dbraw/zinc/01/78/17/242017817.db2.gz YBUOQLPQHFXRES-DYESRHJHSA-N 0 0 349.515 5.568 40 0 EKABRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1 ZINC000225748769 535139279 /nfs/dbraw/zinc/13/92/79/535139279.db2.gz YBUOQLPQHFXRES-UTKZUKDTSA-N 0 0 349.515 5.568 40 0 EKABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)cc1 ZINC000225748806 535128673 /nfs/dbraw/zinc/12/86/73/535128673.db2.gz HFXOGGTZSOJBMQ-OAQYLSRUSA-N 0 0 349.515 5.426 40 0 EKABRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)cc1 ZINC000225748830 535138793 /nfs/dbraw/zinc/13/87/93/535138793.db2.gz HFXOGGTZSOJBMQ-NRFANRHFSA-N 0 0 349.515 5.426 40 0 EKABRN Cc1cccc([C@@H](NC(=O)Cc2cccc(Cl)c2)c2ccccc2)c1 ZINC000225749638 242017709 /nfs/dbraw/zinc/01/77/09/242017709.db2.gz SZTCCYDSIVAUCM-QFIPXVFZSA-N 0 0 349.861 5.097 40 0 EKABRN Cc1cccc([C@H](NC(=O)Cc2cccc(Cl)c2)c2ccccc2)c1 ZINC000225749663 242017686 /nfs/dbraw/zinc/01/76/86/242017686.db2.gz SZTCCYDSIVAUCM-JOCHJYFZSA-N 0 0 349.861 5.097 40 0 EKABRN CC(C)(C)OC(=O)NCCCCCCCCC(=O)c1ccccc1 ZINC000225750556 564150442 /nfs/dbraw/zinc/15/04/42/564150442.db2.gz MDLTVNLITLTXHE-UHFFFAOYSA-N 0 0 333.472 5.125 40 0 EKABRN Cc1ccc(C(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)c(C)c1 ZINC000225751336 242018766 /nfs/dbraw/zinc/01/87/66/242018766.db2.gz HUORJRNXFUNFCF-HXUWFJFHSA-N 0 0 349.474 5.260 40 0 EKABRN Cc1ccc(C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)c(C)c1 ZINC000225751359 242019301 /nfs/dbraw/zinc/01/93/01/242019301.db2.gz HUORJRNXFUNFCF-FQEVSTJZSA-N 0 0 349.474 5.260 40 0 EKABRN Cc1ccc([C@@H](NC(=O)c2cc(C)ccc2C)c2ccccc2)cc1 ZINC000225752786 242018728 /nfs/dbraw/zinc/01/87/28/242018728.db2.gz VNYIORLOMQFUOY-QFIPXVFZSA-N 0 0 329.443 5.131 40 0 EKABRN Cc1ccc([C@H](NC(=O)c2cc(C)ccc2C)c2ccccc2)cc1 ZINC000225752801 242018719 /nfs/dbraw/zinc/01/87/19/242018719.db2.gz VNYIORLOMQFUOY-JOCHJYFZSA-N 0 0 329.443 5.131 40 0 EKABRN Cc1ccccc1[C@@H](C)NC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000225753541 242019468 /nfs/dbraw/zinc/01/94/68/242019468.db2.gz XMIOOBAWBCHZEV-GFCCVEGCSA-N 0 0 338.398 5.061 40 0 EKABRN Cc1ccccc1[C@H](C)NC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000225753567 242018771 /nfs/dbraw/zinc/01/87/71/242018771.db2.gz XMIOOBAWBCHZEV-LBPRGKRZSA-N 0 0 338.398 5.061 40 0 EKABRN O=C(Nc1ccc(CSc2ccccc2)cc1)NC1CCCCC1 ZINC000225754580 242019103 /nfs/dbraw/zinc/01/91/03/242019103.db2.gz DHQAKVUPDWAWIC-UHFFFAOYSA-N 0 0 340.492 5.433 40 0 EKABRN CC[C@@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccccc1C ZINC000225755991 242020660 /nfs/dbraw/zinc/02/06/60/242020660.db2.gz PPIRYLVLOKCQIJ-LJQANCHMSA-N 0 0 326.509 5.556 40 0 EKABRN CC[C@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccccc1C ZINC000225756013 535893275 /nfs/dbraw/zinc/89/32/75/535893275.db2.gz PPIRYLVLOKCQIJ-IBGZPJMESA-N 0 0 326.509 5.556 40 0 EKABRN CC[C@@H](NC(=S)Nc1ccc(C)c(Cl)c1)c1ccccc1C ZINC000225757005 242020741 /nfs/dbraw/zinc/02/07/41/242020741.db2.gz KDMFEDIZOGRSAY-QGZVFWFLSA-N 0 0 332.900 5.395 40 0 EKABRN CC[C@H](NC(=S)Nc1ccc(C)c(Cl)c1)c1ccccc1C ZINC000225757028 535893117 /nfs/dbraw/zinc/89/31/17/535893117.db2.gz KDMFEDIZOGRSAY-KRWDZBQOSA-N 0 0 332.900 5.395 40 0 EKABRN CC[C@@H](NC(=S)Nc1ccc(OC)c(Cl)c1)c1ccccc1C ZINC000225757112 242021166 /nfs/dbraw/zinc/02/11/66/242021166.db2.gz HRESQJGWSFEOOJ-MRXNPFEDSA-N 0 0 348.899 5.095 40 0 EKABRN CC[C@H](NC(=S)Nc1ccc(OC)c(Cl)c1)c1ccccc1C ZINC000225757133 535893531 /nfs/dbraw/zinc/89/35/31/535893531.db2.gz HRESQJGWSFEOOJ-INIZCTEOSA-N 0 0 348.899 5.095 40 0 EKABRN CC[C@@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1C ZINC000225757468 242021631 /nfs/dbraw/zinc/02/16/31/242021631.db2.gz ROXSTTMHTAYRHP-MRXNPFEDSA-N 0 0 336.863 5.225 40 0 EKABRN CC[C@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1C ZINC000225757499 535893326 /nfs/dbraw/zinc/89/33/26/535893326.db2.gz ROXSTTMHTAYRHP-INIZCTEOSA-N 0 0 336.863 5.225 40 0 EKABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc2ccccc2c1 ZINC000225757898 242021181 /nfs/dbraw/zinc/02/11/81/242021181.db2.gz FVWLSAMTDPEDSY-MRXNPFEDSA-N 0 0 345.442 5.125 40 0 EKABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc2ccccc2c1 ZINC000225757921 242021538 /nfs/dbraw/zinc/02/15/38/242021538.db2.gz FVWLSAMTDPEDSY-INIZCTEOSA-N 0 0 345.442 5.125 40 0 EKABRN CC[C@@H](NC(=S)Nc1ccc(OC(C)C)cc1)c1ccccc1C ZINC000225758625 242021618 /nfs/dbraw/zinc/02/16/18/242021618.db2.gz MRXOTNMDNVBOHM-LJQANCHMSA-N 0 0 342.508 5.220 40 0 EKABRN CC[C@H](NC(=S)Nc1ccc(OC(C)C)cc1)c1ccccc1C ZINC000225758647 535892633 /nfs/dbraw/zinc/89/26/33/535892633.db2.gz MRXOTNMDNVBOHM-IBGZPJMESA-N 0 0 342.508 5.220 40 0 EKABRN CC[C@@H](NC(=S)Nc1cccc(OC(C)C)c1)c1ccccc1C ZINC000225758674 242020043 /nfs/dbraw/zinc/02/00/43/242020043.db2.gz IRBUYMDCWDNRPP-LJQANCHMSA-N 0 0 342.508 5.220 40 0 EKABRN CC[C@H](NC(=S)Nc1cccc(OC(C)C)c1)c1ccccc1C ZINC000225758693 535893309 /nfs/dbraw/zinc/89/33/09/535893309.db2.gz IRBUYMDCWDNRPP-IBGZPJMESA-N 0 0 342.508 5.220 40 0 EKABRN Cc1ccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)c(C)c1 ZINC000225759671 242023217 /nfs/dbraw/zinc/02/32/17/242023217.db2.gz CLTVUTMOZSJFJS-LJQANCHMSA-N 0 0 326.509 5.296 40 0 EKABRN Cc1ccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)c(C)c1 ZINC000225759681 242023512 /nfs/dbraw/zinc/02/35/12/242023512.db2.gz CLTVUTMOZSJFJS-IBGZPJMESA-N 0 0 326.509 5.296 40 0 EKABRN Cc1ccc(C)c(NC(=S)N[C@@H](c2ccccc2C)C(C)C)c1 ZINC000225759704 242022942 /nfs/dbraw/zinc/02/29/42/242022942.db2.gz CEXNCZMTSLLIKH-LJQANCHMSA-N 0 0 326.509 5.296 40 0 EKABRN Cc1ccc(C)c(NC(=S)N[C@H](c2ccccc2C)C(C)C)c1 ZINC000225759717 242023084 /nfs/dbraw/zinc/02/30/84/242023084.db2.gz CEXNCZMTSLLIKH-IBGZPJMESA-N 0 0 326.509 5.296 40 0 EKABRN Cc1cc(C)cc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)c1 ZINC000225759737 242022951 /nfs/dbraw/zinc/02/29/51/242022951.db2.gz CMIRBZOFULSJCT-LJQANCHMSA-N 0 0 326.509 5.296 40 0 EKABRN Cc1cc(C)cc(NC(=S)N[C@H](c2ccccc2C)C(C)C)c1 ZINC000225759749 242023200 /nfs/dbraw/zinc/02/32/00/242023200.db2.gz CMIRBZOFULSJCT-IBGZPJMESA-N 0 0 326.509 5.296 40 0 EKABRN Cc1ccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)cc1C ZINC000225759773 242022521 /nfs/dbraw/zinc/02/25/21/242022521.db2.gz SOVNVMBXAAWBGU-LJQANCHMSA-N 0 0 326.509 5.296 40 0 EKABRN Cc1ccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)cc1C ZINC000225759788 242023272 /nfs/dbraw/zinc/02/32/72/242023272.db2.gz SOVNVMBXAAWBGU-IBGZPJMESA-N 0 0 326.509 5.296 40 0 EKABRN Cc1ccccc1[C@@H](NC(=S)Nc1ccc(C(C)C)cc1)C(C)C ZINC000225759812 242023157 /nfs/dbraw/zinc/02/31/57/242023157.db2.gz ZTBMSYHUOJKWDP-FQEVSTJZSA-N 0 0 340.536 5.802 40 0 EKABRN Cc1ccccc1[C@H](NC(=S)Nc1ccc(C(C)C)cc1)C(C)C ZINC000225759826 242023806 /nfs/dbraw/zinc/02/38/06/242023806.db2.gz ZTBMSYHUOJKWDP-HXUWFJFHSA-N 0 0 340.536 5.802 40 0 EKABRN Cc1ccccc1[C@@H](NC(=S)Nc1ccccc1Cl)C(C)C ZINC000225759845 242022249 /nfs/dbraw/zinc/02/22/49/242022249.db2.gz ICQDASDXLXEJKE-KRWDZBQOSA-N 0 0 332.900 5.332 40 0 EKABRN Cc1ccccc1[C@H](NC(=S)Nc1ccccc1Cl)C(C)C ZINC000225759860 242023310 /nfs/dbraw/zinc/02/33/10/242023310.db2.gz ICQDASDXLXEJKE-QGZVFWFLSA-N 0 0 332.900 5.332 40 0 EKABRN Cc1ccccc1[C@@H](NC(=S)Nc1cccc(Cl)c1)C(C)C ZINC000225759888 242022693 /nfs/dbraw/zinc/02/26/93/242022693.db2.gz MWVHBZANHQPJIL-KRWDZBQOSA-N 0 0 332.900 5.332 40 0 EKABRN Cc1ccccc1[C@H](NC(=S)Nc1cccc(Cl)c1)C(C)C ZINC000225759908 242023942 /nfs/dbraw/zinc/02/39/42/242023942.db2.gz MWVHBZANHQPJIL-QGZVFWFLSA-N 0 0 332.900 5.332 40 0 EKABRN Cc1ccccc1[C@@H](NC(=S)Nc1ccc(Cl)cc1)C(C)C ZINC000225759934 242022920 /nfs/dbraw/zinc/02/29/20/242022920.db2.gz NYAVSJSHONZLIG-KRWDZBQOSA-N 0 0 332.900 5.332 40 0 EKABRN Cc1ccccc1[C@H](NC(=S)Nc1ccc(Cl)cc1)C(C)C ZINC000225759951 242023007 /nfs/dbraw/zinc/02/30/07/242023007.db2.gz NYAVSJSHONZLIG-QGZVFWFLSA-N 0 0 332.900 5.332 40 0 EKABRN CCOc1ccccc1NC(=S)N[C@@H](c1ccccc1C)C(C)C ZINC000225760183 242023185 /nfs/dbraw/zinc/02/31/85/242023185.db2.gz ZJHRDLZPIIAKFW-LJQANCHMSA-N 0 0 342.508 5.077 40 0 EKABRN CCOc1ccccc1NC(=S)N[C@H](c1ccccc1C)C(C)C ZINC000225760201 242023860 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ZINC000256089488 534959088 /nfs/dbraw/zinc/95/90/88/534959088.db2.gz GLGAUBPACOBAMV-BHVWNTRMSA-N 0 0 343.555 6.411 40 0 EKABRN CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)NC1CC1 ZINC000256089491 534956380 /nfs/dbraw/zinc/95/63/80/534956380.db2.gz GLGAUBPACOBAMV-LIJGZOPESA-N 0 0 343.555 6.411 40 0 EKABRN CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)OCCC ZINC000256123978 534959011 /nfs/dbraw/zinc/95/90/11/534959011.db2.gz FVYDLXGAUHZBJE-OBDLBYTHSA-N 0 0 346.555 7.085 40 0 EKABRN CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)OCCC ZINC000256123979 534959561 /nfs/dbraw/zinc/95/95/61/534959561.db2.gz FVYDLXGAUHZBJE-UJCVEDPWSA-N 0 0 346.555 7.085 40 0 EKABRN CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCCOC(C)=O ZINC000256929739 564132402 /nfs/dbraw/zinc/13/24/02/564132402.db2.gz RKNFFTAYULCRTQ-NRAUZEMASA-N 0 0 332.528 6.695 40 0 EKABRN CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCCOC(C)=O ZINC000256929741 564132409 /nfs/dbraw/zinc/13/24/09/564132409.db2.gz RKNFFTAYULCRTQ-XQZPKBTBSA-N 0 0 332.528 6.695 40 0 EKABRN CCCCC/C=C/C/C=C\C/C=C/C=C/[C@H](O)CCCC(=O)OC ZINC000256929777 564132408 /nfs/dbraw/zinc/13/24/08/564132408.db2.gz RWLSHOXCJVZJMD-FGZLRCMFSA-N 0 0 334.500 5.276 40 0 EKABRN CCCCC/C=C/C/C=C\C/C=C/C=C\[C@H](O)CCCC(=O)OC ZINC000256929778 564132444 /nfs/dbraw/zinc/13/24/44/564132444.db2.gz RWLSHOXCJVZJMD-NTZLRKIVSA-N 0 0 334.500 5.276 40 0 EKABRN CCCCC/C=C/C/C=C/C/C=C/C=C\[C@H](O)CCCC(=O)OC ZINC000256929779 564132445 /nfs/dbraw/zinc/13/24/45/564132445.db2.gz RWLSHOXCJVZJMD-OFNGDQMLSA-N 0 0 334.500 5.276 40 0 EKABRN CCCCC/C=C/C/C=C/C/C=C/C=C/[C@H](O)CCCC(=O)OC ZINC000256929780 564132464 /nfs/dbraw/zinc/13/24/64/564132464.db2.gz RWLSHOXCJVZJMD-OMPZQRSSSA-N 0 0 334.500 5.276 40 0 EKABRN CC/C=C/C/C=C\C/C=C/CCCCCCCCCCCC(=O)OC ZINC000256929783 564132456 /nfs/dbraw/zinc/13/24/56/564132456.db2.gz RXNIYBHTXVTSAK-BQOJMOTRSA-N 0 0 348.571 7.309 40 0 EKABRN CCCCC[C@H]1CC[C@H]([C@H]2CO[C@H](c3ccc(F)cc3)OC2)CC1 ZINC000257198454 564132434 /nfs/dbraw/zinc/13/24/34/564132434.db2.gz DYTFHSBEGBGUMI-DRNFRNJUSA-N 0 0 334.475 5.874 40 0 EKABRN CCCC[C@H]1CC[C@H]([C@H]2CO[C@H](c3ccc(F)c(F)c3)OC2)CC1 ZINC000257198457 564132449 /nfs/dbraw/zinc/13/24/49/564132449.db2.gz JXMAIPTTYWJVRY-ZFPDUZBHSA-N 0 0 338.438 5.623 40 0 EKABRN CCOc1cccc2c1O[C@@](C)(CCC=C(C)C)[C@@H]1CC[C@@H](C)O[C@@H]21 ZINC000257210558 244150896 /nfs/dbraw/zinc/15/08/96/244150896.db2.gz BVDQJTGDBOKMIF-MDRHQERFSA-N 0 0 344.495 5.839 40 0 EKABRN CC1(C)Oc2ccc(O)cc2[C@H]2O[C@@H](CCc3ccccc3)CC[C@@H]21 ZINC000257210970 535007983 /nfs/dbraw/zinc/00/79/83/535007983.db2.gz BWXLXVABPVIKQB-HFSMHLIXSA-N 0 0 338.447 5.032 40 0 EKABRN Cc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccccc3)CC[C@@H]1C(C)(C)O2 ZINC000257226958 244204271 /nfs/dbraw/zinc/20/42/71/244204271.db2.gz FMZGQJWBDQITOM-RCZSKKKRSA-N 0 0 336.475 5.635 40 0 EKABRN C[C@H]1CC[C@H]2[C@H](O1)c1cc(OCc3ccccc3)ccc1OC2(C)C ZINC000257230766 244212372 /nfs/dbraw/zinc/21/23/72/244212372.db2.gz GDVMJCKMWLTIFI-PAXLWEDBSA-N 0 0 338.447 5.293 40 0 EKABRN C[C@H]1[C@H]2C[C@@H](C[C@@H]1O)C(C)(C)O[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000257233893 244221834 /nfs/dbraw/zinc/22/18/34/244221834.db2.gz GRFCIADETBCNSX-JEWQEZCWSA-N 0 0 336.475 5.227 40 0 EKABRN Fc1ccc(CO[C@@H]2C[C@H](c3ccccc3)O[C@@H]3CCC[C@H]32)cc1 ZINC000257239054 244237553 /nfs/dbraw/zinc/23/75/53/244237553.db2.gz HNTCSYCZZMFERN-XRXFAXGQSA-N 0 0 326.411 5.041 40 0 EKABRN CCC[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(-c3ccccc3)ccc1OC2(C)C ZINC000257259934 244294084 /nfs/dbraw/zinc/29/40/84/244294084.db2.gz LASJQKMVCQOUSL-UZKOGDIHSA-N 0 0 336.475 6.161 40 0 EKABRN CC(C)=CCC[C@]1(C)C=Cc2c(cc(C)n(Cc3ccccc3)c2=O)O1 ZINC000257273618 535369079 /nfs/dbraw/zinc/36/90/79/535369079.db2.gz NHLHADAHHVHZAS-HSZRJFAPSA-N 0 0 349.474 5.116 40 0 EKABRN CC(C)=CCC[C@@]1(C)C=Cc2c(cc(C)n(Cc3ccccc3)c2=O)O1 ZINC000257273619 244386503 /nfs/dbraw/zinc/38/65/03/244386503.db2.gz NHLHADAHHVHZAS-QHCPKHFHSA-N 0 0 349.474 5.116 40 0 EKABRN CCC[C@@H]1CC[C@@H]2[C@@H](O1)c1cccc(-c3ccccc3)c1OC2(C)C ZINC000257274614 244389799 /nfs/dbraw/zinc/38/97/99/244389799.db2.gz NLWNVZCXHKREDC-ZNLUXHQJSA-N 0 0 336.475 6.161 40 0 EKABRN CCC[C@@H]1CC[C@@H]2[C@@H](O1)c1ccc3c(c1OC2(C)C)OC(C)(C)C3 ZINC000257276860 244395478 /nfs/dbraw/zinc/39/54/78/244395478.db2.gz NVKFQRWNQJUSCB-KYJSFNMBSA-N 0 0 330.468 5.208 40 0 EKABRN Cc1ccc2c(c1)[C@H]1O[C@@H](Cc3ccc(F)cc3)CC[C@@H]1C(C)(C)O2 ZINC000257293985 564132450 /nfs/dbraw/zinc/13/24/50/564132450.db2.gz QRYRHQVUFXUOKR-SLYNCCJLSA-N 0 0 340.438 5.384 40 0 EKABRN CCCC(=O)N1CCCC[C@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 ZINC000257295721 564132432 /nfs/dbraw/zinc/13/24/32/564132432.db2.gz QZPPBBJZKWKNMS-FQEVSTJZSA-N 0 0 340.442 5.050 40 0 EKABRN CCCC(=O)N1CCCC[C@@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 ZINC000257295722 564132463 /nfs/dbraw/zinc/13/24/63/564132463.db2.gz QZPPBBJZKWKNMS-HXUWFJFHSA-N 0 0 340.442 5.050 40 0 EKABRN CCOc1cccc2c1OC(C)(C)[C@H]1CC[C@H](c3ccccc3)O[C@H]21 ZINC000257307189 564132459 /nfs/dbraw/zinc/13/24/59/564132459.db2.gz SXOILVBZXHPSAS-NLWGTHIKSA-N 0 0 338.447 5.465 40 0 EKABRN CC(C)c1ccc2c(c1)[C@H]1O[C@@H](c3ccccc3)CC[C@@H]1C(C)(C)O2 ZINC000257308618 564132465 /nfs/dbraw/zinc/13/24/65/564132465.db2.gz TXKDIDUBFORKLL-TUNNFDKTSA-N 0 0 336.475 6.190 40 0 EKABRN CC1(C)Oc2cccc(O)c2[C@H]2O[C@@H](CCc3ccccc3)CC[C@@H]21 ZINC000257312798 564134855 /nfs/dbraw/zinc/13/48/55/564134855.db2.gz UPNIZDHYJPKVBJ-FIKGOQFSSA-N 0 0 338.447 5.032 40 0 EKABRN CC1(C)Oc2c(O)cccc2[C@H]2O[C@@H](CCc3ccccc3)CC[C@@H]21 ZINC000257314805 564134860 /nfs/dbraw/zinc/13/48/60/564134860.db2.gz UYMORYRMYTVTPS-XKGZKEIXSA-N 0 0 338.447 5.032 40 0 EKABRN COc1cccc2c1OC(C)(C)[C@H]1C[C@H](c3ccccc3)[C@H](C)O[C@H]21 ZINC000257323579 564132457 /nfs/dbraw/zinc/13/24/57/564132457.db2.gz WKYVROPYJUYPNH-PRIDNEQBSA-N 0 0 338.447 5.116 40 0 EKABRN COc1cccc2c1OC(C)(C)[C@H]1C[C@@H](c3ccccc3)[C@H](C)O[C@H]21 ZINC000257323580 564132469 /nfs/dbraw/zinc/13/24/69/564132469.db2.gz WKYVROPYJUYPNH-XBQLCILLSA-N 0 0 338.447 5.116 40 0 EKABRN COc1ccc2c(c1)[C@@H]1O[C@H](C)CC[C@H]1[C@](C)(CCC=C(C)C)O2 ZINC000257329297 244542804 /nfs/dbraw/zinc/54/28/04/244542804.db2.gz XJGAMKTYGWWDJY-NXXWWENFSA-N 0 0 330.468 5.449 40 0 EKABRN COc1ccc2c(c1)O[C@@](C)(CCC=C(C)C)[C@@H]1CC[C@@H](C)O[C@@H]21 ZINC000257344992 537003604 /nfs/dbraw/zinc/00/36/04/537003604.db2.gz ZZMKNBPXCQJTPL-NXXWWENFSA-N 0 0 330.468 5.449 40 0 EKABRN COCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257345688 564132478 /nfs/dbraw/zinc/13/24/78/564132478.db2.gz GNHLECXLLAGZRC-AJNFJFBKSA-N 0 0 332.528 5.251 40 0 EKABRN COCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257345689 564132473 /nfs/dbraw/zinc/13/24/73/564132473.db2.gz GNHLECXLLAGZRC-JBCKWKTNSA-N 0 0 332.528 5.251 40 0 EKABRN COCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C ZINC000257345690 564132475 /nfs/dbraw/zinc/13/24/75/564132475.db2.gz GNHLECXLLAGZRC-NCEGCGGISA-N 0 0 332.528 5.251 40 0 EKABRN COCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000257345691 564132486 /nfs/dbraw/zinc/13/24/86/564132486.db2.gz GNHLECXLLAGZRC-WRKHRYLDSA-N 0 0 332.528 5.251 40 0 EKABRN C[C@@]12C/C(=C/c3ccccc3)C[C@H]1[C@H]1CC[C@H]3CCCC[C@@]3(C)[C@@H]1CC2 ZINC000257346055 564132476 /nfs/dbraw/zinc/13/24/76/564132476.db2.gz PSUFVZFXGOVTOA-CORITRTMSA-N 0 0 348.574 7.503 40 0 EKABRN C[C@@]12C/C(=C/c3ccccc3)C[C@@H]1[C@H]1CC[C@H]3CCCC[C@@]3(C)[C@@H]1CC2 ZINC000257346056 564132492 /nfs/dbraw/zinc/13/24/92/564132492.db2.gz PSUFVZFXGOVTOA-OEYWIRKZSA-N 0 0 348.574 7.503 40 0 EKABRN C[C@@]12C/C(=C/c3ccccc3)C[C@H]1[C@H]1CC[C@H]3CCCC[C@]3(C)[C@@H]1CC2 ZINC000257346057 564132474 /nfs/dbraw/zinc/13/24/74/564132474.db2.gz PSUFVZFXGOVTOA-YTKYPBRBSA-N 0 0 348.574 7.503 40 0 EKABRN C[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000257354731 564013358 /nfs/dbraw/zinc/01/33/58/564013358.db2.gz ZLUCRZKCMZNNKG-GARHLSDISA-N 0 0 340.429 6.685 40 0 EKABRN CCCC[C@@H](C(=O)OC)N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C ZINC000260616297 564024714 /nfs/dbraw/zinc/02/47/14/564024714.db2.gz HYZPUTAQQSWGNU-AEFFLSMTSA-N 0 0 331.500 5.127 40 0 EKABRN CCCC[C@H](C(=O)OC)N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C ZINC000260616300 564024717 /nfs/dbraw/zinc/02/47/17/564024717.db2.gz HYZPUTAQQSWGNU-SJLPKXTDSA-N 0 0 331.500 5.127 40 0 EKABRN COC(=O)c1ccc(CN2c3ccc(Cl)cc3[C@H](C)CC2(C)C)o1 ZINC000260619449 564132536 /nfs/dbraw/zinc/13/25/36/564132536.db2.gz LXUPAEPZLVABSD-GFCCVEGCSA-N 0 0 347.842 5.012 40 0 EKABRN CCCC[C@H](C(=O)OC)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C ZINC000260622302 564132526 /nfs/dbraw/zinc/13/25/26/564132526.db2.gz SSDUNMVBIARJPP-CXAGYDPISA-N 0 0 337.891 5.164 40 0 EKABRN CCCC[C@@H](C(=O)OC)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C ZINC000260622309 564132539 /nfs/dbraw/zinc/13/25/39/564132539.db2.gz SSDUNMVBIARJPP-DYVFJYSZSA-N 0 0 337.891 5.164 40 0 EKABRN CCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C)c2)CCC[C@H](C)C1 ZINC000260814490 564132524 /nfs/dbraw/zinc/13/25/24/564132524.db2.gz JOKFQDMHTZUNEH-HZUJVAHNSA-N 0 0 347.499 5.096 40 0 EKABRN CCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)c(C)c2)CCC[C@H](C)C1 ZINC000260814494 564132548 /nfs/dbraw/zinc/13/25/48/564132548.db2.gz JOKFQDMHTZUNEH-LUQKVYGDSA-N 0 0 347.499 5.096 40 0 EKABRN CCCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)cc2)CCC[C@H](C)C1 ZINC000260816747 564132560 /nfs/dbraw/zinc/13/25/60/564132560.db2.gz PQBLOMQJYJVMDX-CSODHUTKSA-N 0 0 347.499 5.178 40 0 EKABRN CCCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)CCC[C@H](C)C1 ZINC000260816750 564132537 /nfs/dbraw/zinc/13/25/37/564132537.db2.gz PQBLOMQJYJVMDX-XGHQBKJUSA-N 0 0 347.499 5.178 40 0 EKABRN CC[C@H](C)Oc1c(C)cc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C ZINC000260818164 564132554 /nfs/dbraw/zinc/13/25/54/564132554.db2.gz WHSFGWUEMVLJDB-LFRPXUGBSA-N 0 0 347.499 5.015 40 0 EKABRN CC[C@H](C)Oc1c(C)cc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C ZINC000260818166 564132544 /nfs/dbraw/zinc/13/25/44/564132544.db2.gz WHSFGWUEMVLJDB-XXHMAFKTSA-N 0 0 347.499 5.015 40 0 EKABRN CC(C)(C)c1cc(Br)cc(C(C)(C)C)c1C(C)(C)C ZINC000261506816 564132584 /nfs/dbraw/zinc/13/25/84/564132584.db2.gz BFSTYFYIECDFCT-UHFFFAOYSA-N 0 0 325.334 6.342 40 0 EKABRN COc1ccc2ccc(OCc3ccccc3)c(Br)c2c1 ZINC000261507400 564132592 /nfs/dbraw/zinc/13/25/92/564132592.db2.gz IBWGBDGTRDQCGD-UHFFFAOYSA-N 0 0 343.220 5.190 40 0 EKABRN CC1(C)CCC2=C1CC[C@@H]1[C@@H]2CC[C@@H]2C[C@@H]3OC(=O)C[C@H]3C[C@@]21C ZINC000263597836 564132607 /nfs/dbraw/zinc/13/26/07/564132607.db2.gz HFUSQUPYZTVTFP-DTPOTAEFSA-N 0 0 328.496 5.271 40 0 EKABRN CC1(C)CCC2=C1CC[C@@H]1[C@@H]2CC[C@@H]2C[C@@H]3OC(=O)C[C@@H]3C[C@]21C ZINC000263597837 564132601 /nfs/dbraw/zinc/13/26/01/564132601.db2.gz HFUSQUPYZTVTFP-MPHXLEBDSA-N 0 0 328.496 5.271 40 0 EKABRN CC1(C)CCC2=C1CC[C@@H]1[C@@H]2CC[C@@H]2C[C@@H]3OC(=O)C[C@H]3C[C@]21C ZINC000263597838 564132625 /nfs/dbraw/zinc/13/26/25/564132625.db2.gz HFUSQUPYZTVTFP-OXMFIQOZSA-N 0 0 328.496 5.271 40 0 EKABRN CCCCCc1ccc(OC(=O)[C@H]2CC[C@H](CCCCC)CC2)cc1 ZINC000267327455 564132606 /nfs/dbraw/zinc/13/26/06/564132606.db2.gz LRWYNCNGLGBMSP-XUTJKUGGSA-N 0 0 344.539 6.711 40 0 EKABRN CC[C@H](C)Cn1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000299817111 564133157 /nfs/dbraw/zinc/13/31/57/564133157.db2.gz DAZJHNOTFUBQMK-KRWDZBQOSA-N 0 0 341.454 6.072 40 0 in-vitro EKABRN CC[C@@H](C)Cn1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000299817112 257656037 /nfs/dbraw/zinc/65/60/37/257656037.db2.gz DAZJHNOTFUBQMK-QGZVFWFLSA-N 0 0 341.454 6.072 40 0 in-vitro EKABRN CC1(C)C(C(=O)c2nn(CCCCCF)c3ccccc32)C1(C)C ZINC000299817203 564133159 /nfs/dbraw/zinc/13/31/59/564133159.db2.gz LVJQJRUAYXVEGN-UHFFFAOYSA-N 0 0 330.447 5.041 40 0 in-vitro EKABRN Cc1c(C(=O)C2C(C)(C)C2(C)C)c2ccccc2n1CCCCCF ZINC000299817312 564133132 /nfs/dbraw/zinc/13/31/32/564133132.db2.gz SVBIXYNVVDXJGW-UHFFFAOYSA-N 0 0 343.486 5.954 40 0 in-vitro EKABRN CCCCC/C=C/C[C@@H]1O[C@@H]1C/C=C\C/C=C/CCCC(=O)OC ZINC000299888289 564132964 /nfs/dbraw/zinc/13/29/64/564132964.db2.gz DHUPCTVGLDZJCY-ASVCFMIASA-N 0 0 334.500 5.516 40 0 EKABRN CCCCC/C=C/C[C@@H]1O[C@@H]1C/C=C\C/C=C\CCCC(=O)OC ZINC000299888290 564132963 /nfs/dbraw/zinc/13/29/63/564132963.db2.gz DHUPCTVGLDZJCY-BVAJSAAQSA-N 0 0 334.500 5.516 40 0 EKABRN CCCCC/C=C/C[C@@H]1O[C@@H]1C/C=C/C/C=C\CCCC(=O)OC ZINC000299888291 564132939 /nfs/dbraw/zinc/13/29/39/564132939.db2.gz DHUPCTVGLDZJCY-HEDYINSBSA-N 0 0 334.500 5.516 40 0 EKABRN CCCCC[C@@H]1O[C@@H]1C/C=C/C/C=C\C/C=C\CCCC(=O)OC ZINC000299888517 564132947 /nfs/dbraw/zinc/13/29/47/564132947.db2.gz MQCWCUDQEBWUAM-BRVXBBRZSA-N 0 0 334.500 5.516 40 0 EKABRN CCCCC[C@@H]1O[C@@H]1C/C=C/C/C=C/C/C=C\CCCC(=O)OC ZINC000299888518 564132935 /nfs/dbraw/zinc/13/29/35/564132935.db2.gz MQCWCUDQEBWUAM-GHHWLCSISA-N 0 0 334.500 5.516 40 0 EKABRN CCCCC[C@@H]1O[C@@H]1C/C=C/C/C=C\C/C=C/CCCC(=O)OC ZINC000299888519 564132962 /nfs/dbraw/zinc/13/29/62/564132962.db2.gz MQCWCUDQEBWUAM-PXYHNBLASA-N 0 0 334.500 5.516 40 0 EKABRN CCCCC/C=C\C/C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(=O)OC ZINC000299888765 564132949 /nfs/dbraw/zinc/13/29/49/564132949.db2.gz WTKAVFHPLJFCMZ-NOMXMWSASA-N 0 0 332.484 5.292 40 0 EKABRN CCCCC/C=C\C/C=C/C=C/C=C\[C@@H]1O[C@H]1CCCC(=O)OC ZINC000299888766 257917264 /nfs/dbraw/zinc/91/72/64/257917264.db2.gz WTKAVFHPLJFCMZ-WHSYUSBYSA-N 0 0 332.484 5.292 40 0 EKABRN CCCCC/C=C/C/C=C\C[C@@H]1O[C@@H]1C/C=C/CCCC(=O)OC ZINC000299888775 564132937 /nfs/dbraw/zinc/13/29/37/564132937.db2.gz XAOMBLXPIQCTNG-ATSMQNMOSA-N 0 0 334.500 5.516 40 0 EKABRN CCCCC/C=C/C/C=C/C[C@@H]1O[C@@H]1C/C=C\CCCC(=O)OC ZINC000299888776 564132959 /nfs/dbraw/zinc/13/29/59/564132959.db2.gz XAOMBLXPIQCTNG-MJURTDTBSA-N 0 0 334.500 5.516 40 0 EKABRN CCCCC/C=C/C/C=C\C[C@@H]1O[C@@H]1C/C=C\CCCC(=O)OC ZINC000299888777 564132934 /nfs/dbraw/zinc/13/29/34/564132934.db2.gz XAOMBLXPIQCTNG-UGHMHXJJSA-N 0 0 334.500 5.516 40 0 EKABRN CCCCC/C=C/C/C=C/C/C=C/C[C@@H]1O[C@@H]1CCCC(=O)OC ZINC000299888779 564132942 /nfs/dbraw/zinc/13/29/42/564132942.db2.gz XGESKIWNDBIILZ-KUOQCNDVSA-N 0 0 334.500 5.516 40 0 EKABRN CCCCC/C=C/C/C=C\C/C=C/C[C@@H]1O[C@@H]1CCCC(=O)OC ZINC000299888780 257917220 /nfs/dbraw/zinc/91/72/20/257917220.db2.gz XGESKIWNDBIILZ-KZYWCDQISA-N 0 0 334.500 5.516 40 0 EKABRN CCCCC/C=C/C/C=C/C/C=C\C[C@@H]1O[C@@H]1CCCC(=O)OC ZINC000299888781 564132941 /nfs/dbraw/zinc/13/29/41/564132941.db2.gz XGESKIWNDBIILZ-MSFIFGGDSA-N 0 0 334.500 5.516 40 0 EKABRN CCCCC/C=C/C/C=C\C/C=C\C[C@@H]1O[C@@H]1CCCC(=O)OC ZINC000299888782 564132940 /nfs/dbraw/zinc/13/29/40/564132940.db2.gz XGESKIWNDBIILZ-XQERXWPOSA-N 0 0 334.500 5.516 40 0 EKABRN CCOc1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1 ZINC000304399588 257866379 /nfs/dbraw/zinc/86/63/79/257866379.db2.gz VAXUENVJQNPPAT-UHFFFAOYSA-N 0 0 333.431 5.276 40 0 EKABRN CCOP(=O)(OCC)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC000306145740 564133119 /nfs/dbraw/zinc/13/31/19/564133119.db2.gz OWXSMRQYRSKYLV-XFXZXTDPSA-N 0 0 326.226 5.239 40 0 EKABRN Cc1sc(Nc2ccccc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000307904838 564133153 /nfs/dbraw/zinc/13/31/53/564133153.db2.gz VHGDPWGDFWZZIQ-UHFFFAOYSA-N 0 0 335.259 6.169 40 0 EKABRN O=Cc1cc(Cl)cc(Cl)c1OCc1cccc2ccccc21 ZINC000314236306 257844930 /nfs/dbraw/zinc/84/49/30/257844930.db2.gz HPYRUIILCKXKEZ-UHFFFAOYSA-N 0 0 331.198 5.538 40 0 EKABRN OCc1cc(Cl)cc(Cl)c1OCc1cccc2ccccc21 ZINC000314390484 257844821 /nfs/dbraw/zinc/84/48/21/257844821.db2.gz CIHHNGIQQHGLCA-UHFFFAOYSA-N 0 0 333.214 5.218 40 0 EKABRN Cc1cccc(Cl)c1Nc1cc(Cl)nc(-c2ccccc2)n1 ZINC000317572914 568422716 /nfs/dbraw/zinc/42/27/16/568422716.db2.gz FFTXIJKLUXJWQM-UHFFFAOYSA-N 0 0 330.218 5.502 40 0 EKABRN Clc1ccc(CNc2cc(Cl)nc(-c3ccccc3)n2)cc1 ZINC000317674472 568422711 /nfs/dbraw/zinc/42/27/11/568422711.db2.gz LDKGFTBYRKIBRN-UHFFFAOYSA-N 0 0 330.218 5.063 40 0 EKABRN Clc1cc(NCc2ccccc2Cl)nc(-c2ccccc2)n1 ZINC000317752180 568422732 /nfs/dbraw/zinc/42/27/32/568422732.db2.gz VEGSZBYWHJKCQY-UHFFFAOYSA-N 0 0 330.218 5.063 40 0 EKABRN CC(C)(C)c1ccc(Nc2cc(Cl)nc(C(F)(F)F)n2)cc1 ZINC000318286066 568422719 /nfs/dbraw/zinc/42/27/19/568422719.db2.gz MDDCWLGHCVLNRX-UHFFFAOYSA-N 0 0 329.753 5.190 40 0 EKABRN Cc1ccc(Cl)c(Nc2cc(Cl)nc(-c3ccccc3)n2)c1 ZINC000318607307 568422736 /nfs/dbraw/zinc/42/27/36/568422736.db2.gz UUGXCYNYFLNAPS-UHFFFAOYSA-N 0 0 330.218 5.502 40 0 EKABRN COc1ccc(Cl)cc1Nc1cc(Cl)nc(-c2ccccc2)n1 ZINC000322075017 257841483 /nfs/dbraw/zinc/84/14/83/257841483.db2.gz XFSMBULYUDPIEU-UHFFFAOYSA-N 0 0 346.217 5.203 40 0 EKABRN COc1ccc(Cl)cc1CNc1ccc(Oc2ccccc2)cc1 ZINC000325020739 564133519 /nfs/dbraw/zinc/13/35/19/564133519.db2.gz FSAABOSUNDHFJX-UHFFFAOYSA-N 0 0 339.822 5.753 40 0 EKABRN CC(C)(C)c1ccc(Nc2cc(Cl)nc(-c3ccccc3)n2)cc1 ZINC000325420919 564133522 /nfs/dbraw/zinc/13/35/22/564133522.db2.gz IBOOSCFIUKHJTN-UHFFFAOYSA-N 0 0 337.854 5.838 40 0 EKABRN COc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000325553515 564133526 /nfs/dbraw/zinc/13/35/26/564133526.db2.gz SVINARFCXFAXLI-UHFFFAOYSA-N 0 0 339.822 5.753 40 0 EKABRN Cc1ccc(C)c(Nc2cc(-c3ccccc3)nc(NC(C)(C)C)n2)c1 ZINC000328965935 564133531 /nfs/dbraw/zinc/13/35/31/564133531.db2.gz CGPLBYVJSKPQQA-UHFFFAOYSA-N 0 0 346.478 5.136 40 0 EKABRN CCCCCc1ccc(OC(=O)[C@H]2CC[C@H](CCCC)CC2)cc1 ZINC000328970364 564133543 /nfs/dbraw/zinc/13/35/43/564133543.db2.gz DKCNOTQUELVMHN-KESTWPANSA-N 0 0 330.512 6.321 40 0 EKABRN Cc1cccc(C)c1Nc1cc(-c2ccccc2)nc(NC(C)(C)C)n1 ZINC000328971606 564133536 /nfs/dbraw/zinc/13/35/36/564133536.db2.gz DQIPCYOXUGQYBI-UHFFFAOYSA-N 0 0 346.478 5.136 40 0 EKABRN CCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)n1 ZINC000328974870 564133534 /nfs/dbraw/zinc/13/35/34/564133534.db2.gz FHICRXOLJWAJHV-UHFFFAOYSA-N 0 0 346.478 5.038 40 0 EKABRN Fc1cccc(-c2nc(Cl)cc(Nc3ccc(Cl)cc3)n2)c1 ZINC000328975474 257909007 /nfs/dbraw/zinc/90/90/07/257909007.db2.gz FKVBMOYJFYXGLI-UHFFFAOYSA-N 0 0 334.181 5.333 40 0 EKABRN Cc1cccc(Cl)c1Nc1cc(Cl)nc(-c2ccc(F)cc2)n1 ZINC000328975913 564133555 /nfs/dbraw/zinc/13/35/55/564133555.db2.gz FMDSBSZQBPYIPT-UHFFFAOYSA-N 0 0 348.208 5.063 40 0 EKABRN Cc1cc(Cl)cc(C)c1Nc1cc(C2CC2)nc(NC(C)(C)C)n1 ZINC000328976102 564133547 /nfs/dbraw/zinc/13/35/47/564133547.db2.gz FNHGGEHQEDBJHH-UHFFFAOYSA-N 0 0 344.890 5.000 40 0 EKABRN Cc1cccc(Nc2cc(-c3ccccc3)nc(NC(C)(C)C)n2)c1C ZINC000328977347 564133529 /nfs/dbraw/zinc/13/35/29/564133529.db2.gz FTGJUDIOLDVLAE-UHFFFAOYSA-N 0 0 346.478 5.136 40 0 EKABRN Cc1ccc(Cl)c(Nc2cc(Cl)nc(-c3cccc(F)c3)n2)c1 ZINC000328987667 564133550 /nfs/dbraw/zinc/13/35/50/564133550.db2.gz IDLGHSJXGDMBOP-UHFFFAOYSA-N 0 0 348.208 5.063 40 0 EKABRN Cc1cc(Nc2cc(C3CC3)nc(NC(C)(C)C)n2)ccc1C(C)C ZINC000328993217 257907059 /nfs/dbraw/zinc/90/70/59/257907059.db2.gz JACPLPCLBAXBQD-UHFFFAOYSA-N 0 0 338.499 5.740 40 0 EKABRN Cc1cc(F)c(F)cc1Nc1cc(Cl)nc(-c2ccccc2)n1 ZINC000328997244 564133562 /nfs/dbraw/zinc/13/35/62/564133562.db2.gz JNBUBJAYYMBCLJ-UHFFFAOYSA-N 0 0 331.753 5.127 40 0 EKABRN Cc1cc(Nc2cc(Cl)nc(-c3ccccc3)n2)c(C)cc1Cl ZINC000328999323 564133561 /nfs/dbraw/zinc/13/35/61/564133561.db2.gz JWNOSZXRAVSZJG-UHFFFAOYSA-N 0 0 344.245 5.811 40 0 EKABRN Cc1cc(F)c(F)cc1Nc1cc(Cl)nc(-c2cccc(F)c2)n1 ZINC000329001367 564133553 /nfs/dbraw/zinc/13/35/53/564133553.db2.gz KDWGHEVWKGHHMW-UHFFFAOYSA-N 0 0 349.743 5.266 40 0 EKABRN Cc1ccc(Cl)c(C)c1Nc1cc(C2CC2)nc(NC(C)(C)C)n1 ZINC000329002893 564133527 /nfs/dbraw/zinc/13/35/27/564133527.db2.gz KKMVRKKQKVKKSQ-UHFFFAOYSA-N 0 0 344.890 5.000 40 0 EKABRN Cc1cccc(Cl)c1Nc1cc(Cl)nc(-c2cccc(F)c2)n1 ZINC000329005939 564133554 /nfs/dbraw/zinc/13/35/54/564133554.db2.gz LAULQNPPSWSSBI-UHFFFAOYSA-N 0 0 348.208 5.063 40 0 EKABRN Cc1cc(F)c(F)cc1Nc1cc(Cl)nc(-c2ccc(F)cc2)n1 ZINC000329007209 564133544 /nfs/dbraw/zinc/13/35/44/564133544.db2.gz LIYGMQZFQIPOQL-UHFFFAOYSA-N 0 0 349.743 5.266 40 0 EKABRN Cc1cc(Nc2cc(Cl)nc(C(F)(F)F)n2)c(C)cc1Cl ZINC000329009703 564133557 /nfs/dbraw/zinc/13/35/57/564133557.db2.gz LXIPENFSNXPWHX-UHFFFAOYSA-N 0 0 336.144 5.163 40 0 EKABRN CC[C@H](C)Nc1nc(Nc2ccc(C(C)C)c(C)c2)cc(C2CC2)n1 ZINC000329013933 564133551 /nfs/dbraw/zinc/13/35/51/564133551.db2.gz MRWLTMSTAGOLOU-HNNXBMFYSA-N 0 0 338.499 5.162 40 0 EKABRN CC[C@@H](C)Nc1nc(Nc2ccc(C(C)C)c(C)c2)cc(C2CC2)n1 ZINC000329013934 257905695 /nfs/dbraw/zinc/90/56/95/257905695.db2.gz MRWLTMSTAGOLOU-OAHLLOKOSA-N 0 0 338.499 5.162 40 0 EKABRN FC(F)(F)c1ccc(Nc2cc(Cl)nc(-c3ccccc3)n2)cc1 ZINC000329019260 564133533 /nfs/dbraw/zinc/13/35/33/564133533.db2.gz NVPBRQNHANFLBN-UHFFFAOYSA-N 0 0 349.743 5.559 40 0 EKABRN CCCCC1CCC([C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1 ZINC000329019941 257904782 /nfs/dbraw/zinc/90/47/82/257904782.db2.gz NZXZINXFUSKTPH-NZKYNAJMSA-N 0 0 334.494 7.235 40 0 EKABRN CC(C)(C)c1ccc(Nc2cc(Cl)nc(-c3ccccn3)n2)cc1 ZINC000329021225 564133560 /nfs/dbraw/zinc/13/35/60/564133560.db2.gz OFBCHWIZNMJDJA-UHFFFAOYSA-N 0 0 338.842 5.233 40 0 EKABRN CC[C@H](C)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C2CC2)n1 ZINC000329022167 257905225 /nfs/dbraw/zinc/90/52/25/257905225.db2.gz OLKRVGAUQNDMCA-AWEZNQCLSA-N 0 0 338.499 5.027 40 0 EKABRN CC[C@@H](C)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C2CC2)n1 ZINC000329022169 564133540 /nfs/dbraw/zinc/13/35/40/564133540.db2.gz OLKRVGAUQNDMCA-CQSZACIVSA-N 0 0 338.499 5.027 40 0 EKABRN Cc1ccc(Cl)c(Nc2cc(Cl)nc(-c3ccc(F)cc3)n2)c1 ZINC000329023471 257904924 /nfs/dbraw/zinc/90/49/24/257904924.db2.gz OUBNRPIAOHESNV-UHFFFAOYSA-N 0 0 348.208 5.063 40 0 EKABRN CC(C)(C)c1ccc(Nc2cc(Cl)nc(-c3cccnc3)n2)cc1 ZINC000329031213 564133546 /nfs/dbraw/zinc/13/35/46/564133546.db2.gz QHQBUQYFBZIZRD-UHFFFAOYSA-N 0 0 338.842 5.233 40 0 EKABRN Clc1cc(Nc2c(Cl)cccc2Cl)nc(CC2CC2)n1 ZINC000329032837 564133539 /nfs/dbraw/zinc/13/35/39/564133539.db2.gz QQFRPVDMRQHDIZ-UHFFFAOYSA-N 0 0 328.630 5.133 40 0 EKABRN Cc1cc(Nc2cc(C3CC3)nc(NC(C)(C)C)n2)ccc1Cl ZINC000329032864 564133558 /nfs/dbraw/zinc/13/35/58/564133558.db2.gz QQMSLZVRSLFYQB-UHFFFAOYSA-N 0 0 330.863 5.270 40 0 EKABRN CC(C)(C)c1nc(Cl)cc(NNc2ccc(Cl)cc2Cl)n1 ZINC000329035298 564133549 /nfs/dbraw/zinc/13/35/49/564133549.db2.gz RCOISZVQBAVWMX-UHFFFAOYSA-N 0 0 345.661 5.173 40 0 EKABRN Cc1cc(C)c(Nc2cc(Cl)nc(-c3cccc(F)c3)n2)c(C)c1 ZINC000329037631 564133545 /nfs/dbraw/zinc/13/35/45/564133545.db2.gz RPOSPVCXEPRNLN-UHFFFAOYSA-N 0 0 341.817 5.027 40 0 EKABRN Cc1cc(Nc2cc(Cl)nc(-c3ccccn3)n2)c(C)cc1Cl ZINC000329040203 262507515 /nfs/dbraw/zinc/50/75/15/262507515.db2.gz SBFNJBPHXDMDDD-UHFFFAOYSA-N 0 0 345.233 5.206 40 0 EKABRN Cc1cc(F)ccc1Nc1cc(Cl)nc(-c2ccc(F)cc2)n1 ZINC000329040806 564133542 /nfs/dbraw/zinc/13/35/42/564133542.db2.gz SFWZMCZNXRNCPM-UHFFFAOYSA-N 0 0 331.753 5.127 40 0 EKABRN Cc1cc(C)c(Nc2cc(Cl)nc(-c3ccc(F)cc3)n2)c(C)c1 ZINC000329045419 564133538 /nfs/dbraw/zinc/13/35/38/564133538.db2.gz TUVFSMNHCVADHK-UHFFFAOYSA-N 0 0 341.817 5.027 40 0 EKABRN CCOc1ccc(Nc2cc(Cl)nc(-c3cccc(F)c3)n2)cc1 ZINC000329053376 564133556 /nfs/dbraw/zinc/13/35/56/564133556.db2.gz VGBXNOGUDKWIDS-UHFFFAOYSA-N 0 0 343.789 5.078 40 0 EKABRN Cc1cc(Nc2cc(Cl)nc(-c3cccnc3)n2)c(C)cc1Cl ZINC000329062390 564133569 /nfs/dbraw/zinc/13/35/69/564133569.db2.gz WXJYUEDCKAVRCQ-UHFFFAOYSA-N 0 0 345.233 5.206 40 0 EKABRN CC(C)(C)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C2CC2)n1 ZINC000329062973 564133563 /nfs/dbraw/zinc/13/35/63/564133563.db2.gz XBWALPWDKWHBBZ-UHFFFAOYSA-N 0 0 338.499 5.606 40 0 EKABRN CC[C@H]1CC[C@H](C2CCC(c3ccc(OC)c(F)c3F)CC2)CC1 ZINC000329065944 564133568 /nfs/dbraw/zinc/13/35/68/564133568.db2.gz XVQXZAGGKKBCGJ-OJHJNGDYSA-N 0 0 336.466 6.464 40 0 EKABRN Cc1cc(C)cc(Nc2cc(-c3ccccc3)nc(NC(C)(C)C)n2)c1 ZINC000329066616 564133565 /nfs/dbraw/zinc/13/35/65/564133565.db2.gz YCILDVCZWFHLQV-UHFFFAOYSA-N 0 0 346.478 5.136 40 0 EKABRN CCCCCC1CCC([C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1 ZINC000329066882 564133567 /nfs/dbraw/zinc/13/35/67/564133567.db2.gz YDVUSMRUBCJGAV-FOUKWCRFSA-N 0 0 348.521 7.625 40 0 EKABRN CCOP(=O)(OCC)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC000329780367 564126253 /nfs/dbraw/zinc/12/62/53/564126253.db2.gz OWXSMRQYRSKYLV-FMIVXFBMSA-N 0 0 326.226 5.239 40 0 EKABRN CCc1cccc(C)c1NC(=O)c1ccc(-c2csc(C)n2)cc1 ZINC000352712508 564133614 /nfs/dbraw/zinc/13/36/14/564133614.db2.gz CRLSUGZLXKSTPX-UHFFFAOYSA-N 0 0 336.460 5.242 40 0 EKABRN CC(C)OCC(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000390823094 564173697 /nfs/dbraw/zinc/17/36/97/564173697.db2.gz SHVQTFPYPAZDCM-UHFFFAOYSA-N 0 0 346.854 5.153 40 0 EKABRN Cc1ccnc(N(Cc2ccccc2C(F)F)C(=O)OC(C)(C)C)c1 ZINC000390823137 568421689 /nfs/dbraw/zinc/42/16/89/568421689.db2.gz UAPSABJJVUSSLC-UHFFFAOYSA-N 0 0 348.393 5.269 40 0 EKABRN CC[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000390823271 522112438 /nfs/dbraw/zinc/11/24/38/522112438.db2.gz XNEKFEKEESDMOV-MRXNPFEDSA-N 0 0 337.463 5.350 40 0 EKABRN COc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000392300334 564173855 /nfs/dbraw/zinc/17/38/55/564173855.db2.gz FDXDMJDPMCHNFA-UHFFFAOYSA-N 0 0 335.403 5.108 40 0 EKABRN Cc1c(Cl)cccc1NCc1cccc(OCc2ccccc2)c1 ZINC000394409592 564174365 /nfs/dbraw/zinc/17/43/65/564174365.db2.gz DZNYABRAKLIGHJ-UHFFFAOYSA-N 0 0 337.850 5.840 40 0 EKABRN Cc1ccc(Cl)cc1NCc1cccc(OCc2ccccc2)c1 ZINC000394418868 564174366 /nfs/dbraw/zinc/17/43/66/564174366.db2.gz MEIXKRGSEYKUTA-UHFFFAOYSA-N 0 0 337.850 5.840 40 0 EKABRN CCOc1ccc(NCc2cccc(OCc3ccccc3)c2)cc1 ZINC000394442745 563995549 /nfs/dbraw/zinc/99/55/49/563995549.db2.gz OIKRHXNZBZIQBT-UHFFFAOYSA-N 0 0 333.431 5.276 40 0 EKABRN Clc1ccc(-c2nc(SCc3ccccc3)n[nH]2)c(Cl)c1 ZINC000408527621 563862131 /nfs/dbraw/zinc/86/21/31/563862131.db2.gz PBKJZDZHGFMZJE-UHFFFAOYSA-N 0 0 336.247 5.071 40 0 EKABRN CC(=O)Nc1ccccc1SCc1ccc(Cl)cc1Cl ZINC000408528722 563862617 /nfs/dbraw/zinc/86/26/17/563862617.db2.gz WEHPREWZXBQDHN-UHFFFAOYSA-N 0 0 326.248 5.244 40 0 EKABRN CCCCOc1ccc(C(=O)Nc2cccc3ccccc32)cc1OC ZINC000408532635 257897986 /nfs/dbraw/zinc/89/79/86/257897986.db2.gz OIYYXUBPWBBPFS-UHFFFAOYSA-N 0 0 349.430 5.280 40 0 EKABRN CCCCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1OCC ZINC000408532682 257898046 /nfs/dbraw/zinc/89/80/46/257898046.db2.gz OOIFUGOPYDCKBW-UHFFFAOYSA-N 0 0 341.451 5.079 40 0 EKABRN CCCCOc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1OC ZINC000408533386 257898048 /nfs/dbraw/zinc/89/80/48/257898048.db2.gz QSXJGHWIMYJSPP-UHFFFAOYSA-N 0 0 349.430 5.280 40 0 EKABRN CCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1OCC ZINC000408534348 563862527 /nfs/dbraw/zinc/86/25/27/563862527.db2.gz VHGCWNHWGBEYQW-UHFFFAOYSA-N 0 0 347.842 5.170 40 0 EKABRN CCCCOc1ccc(Cl)cc1/C=C1\C(=O)Nc2ccccc21 ZINC000408534641 563862504 /nfs/dbraw/zinc/86/25/04/563862504.db2.gz VUVRAPNIIDWSCY-VBKFSLOCSA-N 0 0 327.811 5.012 40 0 EKABRN CCCCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1OCC ZINC000408535172 257897618 /nfs/dbraw/zinc/89/76/18/257897618.db2.gz YEWFUZALMGIMKR-UHFFFAOYSA-N 0 0 341.451 5.133 40 0 EKABRN CCCCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1OCC ZINC000408535508 563862512 /nfs/dbraw/zinc/86/25/12/563862512.db2.gz ZLRMTZYFDSISPK-UHFFFAOYSA-N 0 0 347.842 5.170 40 0 EKABRN O=C(CSc1ccc2ccccc2c1)Nc1ccc(C(F)F)cc1 ZINC000408541354 563862774 /nfs/dbraw/zinc/86/27/74/563862774.db2.gz ANIDWZZDYVMTHB-UHFFFAOYSA-N 0 0 343.398 5.508 40 0 EKABRN O=C(CSc1cccc2ccccc21)Nc1ccc(C(F)F)cc1 ZINC000408542414 257897624 /nfs/dbraw/zinc/89/76/24/257897624.db2.gz IRDXSSSUCOYAGV-UHFFFAOYSA-N 0 0 343.398 5.508 40 0 EKABRN O=C(CSc1ccc2ccccc2c1)Nc1ccccc1C(F)F ZINC000408542982 563862759 /nfs/dbraw/zinc/86/27/59/563862759.db2.gz MCDKEMBLAWCEPD-UHFFFAOYSA-N 0 0 343.398 5.508 40 0 EKABRN O=C(CSc1ccc(Cl)cc1)Nc1ccc(C(F)F)cc1 ZINC000408543423 257897620 /nfs/dbraw/zinc/89/76/20/257897620.db2.gz PAAPISYTWUXLKF-UHFFFAOYSA-N 0 0 327.783 5.008 40 0 EKABRN CCCCCNC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000408549020 257897866 /nfs/dbraw/zinc/89/78/66/257897866.db2.gz VSWJRWSZSATRIS-UHFFFAOYSA-N 0 0 327.493 5.207 40 0 EKABRN Cc1ccc(SCc2ccc(C(=O)NCCC(C)C)cc2)cc1 ZINC000408549513 563863174 /nfs/dbraw/zinc/86/31/74/563863174.db2.gz ZFDOUHWDZJNFEB-UHFFFAOYSA-N 0 0 327.493 5.063 40 0 EKABRN Cc1ccccc1Oc1ccc(NC(=S)NC2CCCCC2)cc1 ZINC000408549630 563863166 /nfs/dbraw/zinc/86/31/66/563863166.db2.gz VYPOFNDCGINNQI-UHFFFAOYSA-N 0 0 340.492 5.406 40 0 EKABRN O=C(CCSc1ccccc1)Nc1ccccc1Oc1ccccc1 ZINC000408562593 563864062 /nfs/dbraw/zinc/86/40/62/563864062.db2.gz CURKLYSZIACEQP-UHFFFAOYSA-N 0 0 349.455 5.600 40 0 EKABRN O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccccc1F ZINC000408563322 257896813 /nfs/dbraw/zinc/89/68/13/257896813.db2.gz LJYDMRGLIQDRBD-UHFFFAOYSA-N 0 0 337.419 5.370 40 0 EKABRN CC(C)Oc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000408563501 257896581 /nfs/dbraw/zinc/89/65/81/257896581.db2.gz NQPNNJWFIWLICW-OVCLIPMQSA-N 0 0 337.463 5.423 40 0 EKABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CCCCCCC1 ZINC000408564644 257896613 /nfs/dbraw/zinc/89/66/13/257896613.db2.gz ZFOXLCMTFIYLJK-CYBMUJFWSA-N 0 0 325.905 5.050 40 0 EKABRN C[C@H](Sc1ccc(Cl)cc1)C(=O)NC1CCCCCCC1 ZINC000408564645 257896508 /nfs/dbraw/zinc/89/65/08/257896508.db2.gz ZFOXLCMTFIYLJK-ZDUSSCGKSA-N 0 0 325.905 5.050 40 0 EKABRN C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000408565485 257896610 /nfs/dbraw/zinc/89/66/10/257896610.db2.gz KZHHDYKSDGGHIB-INIZCTEOSA-N 0 0 349.455 5.598 40 0 EKABRN C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000408565487 257896886 /nfs/dbraw/zinc/89/68/86/257896886.db2.gz KZHHDYKSDGGHIB-MRXNPFEDSA-N 0 0 349.455 5.598 40 0 EKABRN CC(C)Oc1cccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 ZINC000408565569 257896530 /nfs/dbraw/zinc/89/65/30/257896530.db2.gz LKGFNDSGZOTQTF-SDNWHVSQSA-N 0 0 337.463 5.423 40 0 EKABRN Cc1cccc(C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 ZINC000408566706 257896749 /nfs/dbraw/zinc/89/67/49/257896749.db2.gz OMCLYDDAXMWWKG-UHFFFAOYSA-N 0 0 347.483 5.848 40 0 EKABRN CC(C)Oc1cccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1 ZINC000408570205 563478886 /nfs/dbraw/zinc/47/88/86/563478886.db2.gz ZTUKFFJMNDANJF-RCCKNPSSSA-N 0 0 347.414 5.246 40 0 EKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(F)c(Cl)c1 ZINC000408571412 563864362 /nfs/dbraw/zinc/86/43/62/563864362.db2.gz ASZIOHSAVQDHED-DHZHZOJOSA-N 0 0 341.769 5.391 40 0 EKABRN CC(C)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 ZINC000408571427 563864367 /nfs/dbraw/zinc/86/43/67/563864367.db2.gz AXZZLHSCROIGAW-FYWRMAATSA-N 0 0 331.415 5.722 40 0 EKABRN Cc1ccccc1CNC(=S)c1ccc(OCc2ccccc2)cc1 ZINC000408571456 257895975 /nfs/dbraw/zinc/89/59/75/257895975.db2.gz BSCXQNDLFAVOIJ-UHFFFAOYSA-N 0 0 347.483 5.039 40 0 EKABRN Cc1cccc(CNC(=S)c2ccc(OCc3ccccc3)cc2)c1 ZINC000408572153 563479299 /nfs/dbraw/zinc/47/92/99/563479299.db2.gz GYRDTEQERHDSKZ-UHFFFAOYSA-N 0 0 347.483 5.039 40 0 EKABRN Cc1cccc(CNC(=S)c2cccc(OCc3ccccc3)c2)c1 ZINC000408572585 257895927 /nfs/dbraw/zinc/89/59/27/257895927.db2.gz KQLGIWYGGMNJKB-UHFFFAOYSA-N 0 0 347.483 5.039 40 0 EKABRN CC(C)Oc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000408573375 563482560 /nfs/dbraw/zinc/48/25/60/563482560.db2.gz CZPVMYUDJJJHMB-UHFFFAOYSA-N 0 0 349.883 5.248 40 0 EKABRN CC(C)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000408573717 563864385 /nfs/dbraw/zinc/86/43/85/563864385.db2.gz NOEVTEJZMJVUPD-FYWRMAATSA-N 0 0 331.415 5.722 40 0 EKABRN CC(C)Oc1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1 ZINC000408574017 563482547 /nfs/dbraw/zinc/48/25/47/563482547.db2.gz HDUWTFVTBFPXHB-UHFFFAOYSA-N 0 0 349.883 5.248 40 0 EKABRN CC(C)Oc1cccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 ZINC000408574389 563864349 /nfs/dbraw/zinc/86/43/49/563864349.db2.gz HWJPSRPQLVHKGO-CYBMUJFWSA-N 0 0 349.883 5.247 40 0 EKABRN CC(C)Oc1cccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 ZINC000408574390 563864404 /nfs/dbraw/zinc/86/44/04/563864404.db2.gz HWJPSRPQLVHKGO-ZDUSSCGKSA-N 0 0 349.883 5.247 40 0 EKABRN CC[C@@H](C)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000408574560 563864336 /nfs/dbraw/zinc/86/43/36/563864336.db2.gz RZSRESLOMOHJRH-FYPAKXHLSA-N 0 0 345.442 6.112 40 0 EKABRN CC[C@H](C)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000408574564 563864352 /nfs/dbraw/zinc/86/43/52/563864352.db2.gz RZSRESLOMOHJRH-ZQHZRZASSA-N 0 0 345.442 6.112 40 0 EKABRN CC(C)Oc1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 ZINC000408574882 257896082 /nfs/dbraw/zinc/89/60/82/257896082.db2.gz MHYXXFYKSPHFMU-RCCKNPSSSA-N 0 0 347.414 5.246 40 0 EKABRN COc1ccccc1/C=C/C(=O)Nc1ccccc1Oc1ccccc1 ZINC000408574913 563864348 /nfs/dbraw/zinc/86/43/48/563864348.db2.gz MNPXSPFBOPLKFN-FOCLMDBBSA-N 0 0 345.398 5.139 40 0 EKABRN Cc1cccc(CNC(=S)c2ccccc2OCc2ccccc2)c1 ZINC000408575224 563864400 /nfs/dbraw/zinc/86/44/00/563864400.db2.gz NHLPUKZWIUGLFA-UHFFFAOYSA-N 0 0 347.483 5.039 40 0 EKABRN Cc1ccc(CNC(=S)c2ccccc2OCc2ccccc2)cc1 ZINC000408575319 563864346 /nfs/dbraw/zinc/86/43/46/563864346.db2.gz NTHGFWZFRATTLT-UHFFFAOYSA-N 0 0 347.483 5.039 40 0 EKABRN CC(C)Oc1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000408575549 257895933 /nfs/dbraw/zinc/89/59/33/257895933.db2.gz NWVBSNHDYJKBCB-CYBMUJFWSA-N 0 0 349.883 5.247 40 0 EKABRN CC(C)Oc1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000408575551 257895928 /nfs/dbraw/zinc/89/59/28/257895928.db2.gz NWVBSNHDYJKBCB-ZDUSSCGKSA-N 0 0 349.883 5.247 40 0 EKABRN Cc1cccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)c1 ZINC000408576288 563864942 /nfs/dbraw/zinc/86/49/42/563864942.db2.gz RWMUXYYJHPQLCT-UHFFFAOYSA-N 0 0 333.456 5.540 40 0 EKABRN Cc1ccc(CNC(=S)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000408576289 563482838 /nfs/dbraw/zinc/48/28/38/563482838.db2.gz WYNLPDATENYJSL-UHFFFAOYSA-N 0 0 347.483 5.039 40 0 EKABRN Cc1ccccc1CNC(=S)c1cccc(OCc2ccccc2)c1 ZINC000408576455 563483258 /nfs/dbraw/zinc/48/32/58/563483258.db2.gz YCZRUGHCPQUUSC-UHFFFAOYSA-N 0 0 347.483 5.039 40 0 EKABRN S=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CCCCC1 ZINC000408577691 563864674 /nfs/dbraw/zinc/86/46/74/563864674.db2.gz UJECIEOVYZOANL-UHFFFAOYSA-N 0 0 345.895 5.080 40 0 EKABRN Cc1ccccc1CNC(=S)c1ccccc1OCc1ccccc1 ZINC000408578145 257896088 /nfs/dbraw/zinc/89/60/88/257896088.db2.gz WBYQZKGALZKIBV-UHFFFAOYSA-N 0 0 347.483 5.039 40 0 EKABRN S=C(c1cccc(OCc2ccccc2Cl)c1)N1CCCCC1 ZINC000408578206 257896049 /nfs/dbraw/zinc/89/60/49/257896049.db2.gz WTVKTYGNCLVLRD-UHFFFAOYSA-N 0 0 345.895 5.080 40 0 EKABRN CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccccc2C)cc1 ZINC000408578706 563864653 /nfs/dbraw/zinc/86/46/53/563864653.db2.gz AKOABWLVNNSZSN-UHFFFAOYSA-N 0 0 336.460 5.242 40 0 EKABRN CCc1ccc(NC(=O)c2ccc(-c3nc(C)sc3C)cc2)cc1 ZINC000408578888 563864668 /nfs/dbraw/zinc/86/46/68/563864668.db2.gz BMUYGZSVYMAMND-UHFFFAOYSA-N 0 0 336.460 5.242 40 0 EKABRN Cc1nc(-c2ccc(C(=O)Nc3ccc(C)cc3C)cc2)c(C)s1 ZINC000408579004 563864731 /nfs/dbraw/zinc/86/47/31/563864731.db2.gz CIEZMLBECYEYAP-UHFFFAOYSA-N 0 0 336.460 5.296 40 0 EKABRN Cc1nc(-c2ccc(C(=O)Nc3cc(C)ccc3C)cc2)c(C)s1 ZINC000408579065 563481330 /nfs/dbraw/zinc/48/13/30/563481330.db2.gz CWHNTKKOQZTIEH-UHFFFAOYSA-N 0 0 336.460 5.296 40 0 EKABRN CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(C)cc2)cc1 ZINC000408579565 563481813 /nfs/dbraw/zinc/48/18/13/563481813.db2.gz HXCIQPKRAGKBFU-UHFFFAOYSA-N 0 0 336.460 5.242 40 0 EKABRN CCc1ccccc1NC(=O)c1ccc(-c2nc(C)sc2C)cc1 ZINC000408579669 563864726 /nfs/dbraw/zinc/86/47/26/563864726.db2.gz JIUILLKWOPKIGP-UHFFFAOYSA-N 0 0 336.460 5.242 40 0 EKABRN Cc1nc(-c2ccc(C(=O)Nc3ccccc3Cl)cc2)c(C)s1 ZINC000408579889 257895490 /nfs/dbraw/zinc/89/54/90/257895490.db2.gz LCFLWRQKMDXBEQ-UHFFFAOYSA-N 0 0 342.851 5.333 40 0 EKABRN Cc1nc(-c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)c(C)s1 ZINC000408580194 257895493 /nfs/dbraw/zinc/89/54/93/257895493.db2.gz MYPFHKKAPUXLPX-UHFFFAOYSA-N 0 0 336.460 5.296 40 0 EKABRN CCc1sc(C)nc1-c1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000408580322 563864928 /nfs/dbraw/zinc/86/49/28/563864928.db2.gz OIKGBIWSQBGSJT-UHFFFAOYSA-N 0 0 340.423 5.072 40 0 EKABRN Cc1nc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)c(C)s1 ZINC000408580616 563483506 /nfs/dbraw/zinc/48/35/06/563483506.db2.gz PZFKPPROYGUTTA-UHFFFAOYSA-N 0 0 342.851 5.333 40 0 EKABRN Cc1nc(-c2ccc(C(=O)Nc3cccc(C)c3C)cc2)c(C)s1 ZINC000408580678 257895643 /nfs/dbraw/zinc/89/56/43/257895643.db2.gz QPTVVYFJHCLVPF-UHFFFAOYSA-N 0 0 336.460 5.296 40 0 EKABRN Cc1nc(-c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)c(C)s1 ZINC000408581336 257895465 /nfs/dbraw/zinc/89/54/65/257895465.db2.gz WGAGBUCVENKVFT-UHFFFAOYSA-N 0 0 342.851 5.333 40 0 EKABRN CCc1sc(C)nc1-c1ccc(C(=O)Nc2cccc(C)c2)cc1 ZINC000408581498 563864958 /nfs/dbraw/zinc/86/49/58/563864958.db2.gz XIMGEPVRHOBHGZ-UHFFFAOYSA-N 0 0 336.460 5.242 40 0 EKABRN CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000408581528 257895507 /nfs/dbraw/zinc/89/55/07/257895507.db2.gz XQFBXAKDKVEUNV-UHFFFAOYSA-N 0 0 340.423 5.072 40 0 EKABRN CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccccc2F)cc1 ZINC000408581920 563864956 /nfs/dbraw/zinc/86/49/56/563864956.db2.gz ZXKHLLRKPWWVTP-UHFFFAOYSA-N 0 0 340.423 5.072 40 0 EKABRN CCCOc1ccc(Cl)cc1C(=O)Nc1cccc2ccccc21 ZINC000408585188 563864966 /nfs/dbraw/zinc/86/49/66/563864966.db2.gz CLSYYJCHTUBOSX-UHFFFAOYSA-N 0 0 339.822 5.534 40 0 EKABRN CC(C)(C)NC(=S)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000408585354 563485243 /nfs/dbraw/zinc/48/52/43/563485243.db2.gz FKDZUJRSHLCNNY-UHFFFAOYSA-N 0 0 334.872 5.217 40 0 EKABRN CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc(CC)cc1 ZINC000408585435 563864951 /nfs/dbraw/zinc/86/49/51/563864951.db2.gz DQLDQHNQQMCDSY-UHFFFAOYSA-N 0 0 331.843 5.334 40 0 EKABRN CCc1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000408585602 563864969 /nfs/dbraw/zinc/86/49/69/563864969.db2.gz GGUJQXYPNAVJDT-UHFFFAOYSA-N 0 0 331.415 5.080 40 0 EKABRN CCOc1ccc(Cl)cc1C(=O)Nc1ccccc1C(F)(F)F ZINC000408585635 563864920 /nfs/dbraw/zinc/86/49/20/563864920.db2.gz GSMDFCYITLHIHQ-UHFFFAOYSA-N 0 0 343.732 5.010 40 0 EKABRN CCOc1ccc(Cl)cc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000408585701 563865314 /nfs/dbraw/zinc/86/53/14/563865314.db2.gz HKXAXUMOUULQQE-UHFFFAOYSA-N 0 0 344.625 5.298 40 0 EKABRN CCCCOc1ccc(Cl)cc1C(=O)Nc1ccccc1Cl ZINC000408585872 563485517 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563497601 /nfs/dbraw/zinc/49/76/01/563497601.db2.gz VTDBKQKYHQGMIE-UHFFFAOYSA-N 0 0 330.214 5.077 40 0 EKABRN CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1O ZINC000408604919 563497677 /nfs/dbraw/zinc/49/76/77/563497677.db2.gz FVHLABMLSPAXNW-UHFFFAOYSA-N 0 0 346.641 5.363 40 0 EKABRN O=C(CSCc1ccccc1F)Nc1ccc(Cl)c(Cl)c1 ZINC000408605161 563865919 /nfs/dbraw/zinc/86/59/19/563865919.db2.gz XCXLMRKWANIZTG-UHFFFAOYSA-N 0 0 344.238 5.004 40 0 EKABRN O=C(c1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1F ZINC000408605197 563865884 /nfs/dbraw/zinc/86/58/84/563865884.db2.gz XMFXPAMMJOBPEA-UHFFFAOYSA-N 0 0 347.998 5.126 40 0 EKABRN CCCOc1ccccc1CNc1ccc(Br)cc1C ZINC000408609170 563865871 /nfs/dbraw/zinc/86/58/71/563865871.db2.gz LYNUYLKXWLVORC-UHFFFAOYSA-N 0 0 334.257 5.158 40 0 EKABRN Cc1ccc(Cl)cc1NC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000408613330 563865862 /nfs/dbraw/zinc/86/58/62/563865862.db2.gz WIQNEEIBAWQSEY-UHFFFAOYSA-N 0 0 335.790 5.800 40 0 EKABRN Cc1cccc(C(C)C)c1NC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000408613800 563865890 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343.785 5.608 40 0 EKABRN Cc1ccc(NC(=O)c2cc3c(ccc4ccccc34)o2)cc1Cl ZINC000408624802 563865896 /nfs/dbraw/zinc/86/58/96/563865896.db2.gz UTNSSKJZGMAEGB-UHFFFAOYSA-N 0 0 335.790 5.800 40 0 EKABRN O=C(Nc1ccccc1F)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408625175 563502996 /nfs/dbraw/zinc/50/29/96/563502996.db2.gz XEJYIONZSRFTLB-UHFFFAOYSA-N 0 0 333.721 5.131 40 0 EKABRN C[C@@H](CCc1ccccc1)NC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000408625466 563865894 /nfs/dbraw/zinc/86/58/94/563865894.db2.gz VGUIRXBGKWKYSZ-INIZCTEOSA-N 0 0 343.426 5.337 40 0 EKABRN C[C@H](CCc1ccccc1)NC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000408625469 563865892 /nfs/dbraw/zinc/86/58/92/563865892.db2.gz VGUIRXBGKWKYSZ-MRXNPFEDSA-N 0 0 343.426 5.337 40 0 EKABRN Cc1cccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c1 ZINC000408625604 563865881 /nfs/dbraw/zinc/86/58/81/563865881.db2.gz XPODYNFSPYCAFR-UHFFFAOYSA-N 0 0 329.758 5.300 40 0 EKABRN Cc1cccc(C)c1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408625976 563865878 /nfs/dbraw/zinc/86/58/78/563865878.db2.gz 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EKABRN FC(F)(F)c1cccc(Nc2nc3c(s2)CCc2ccccc2-3)c1 ZINC000408895742 563908254 /nfs/dbraw/zinc/90/82/54/563908254.db2.gz LUMOUIBNUOIYTC-UHFFFAOYSA-N 0 0 346.377 5.093 40 0 EKABRN Clc1cccc(Nc2nc3c(s2)CCc2ccccc2-3)c1Cl ZINC000408896572 257886606 /nfs/dbraw/zinc/88/66/06/257886606.db2.gz OKBVDMWAQUVZHF-UHFFFAOYSA-N 0 0 347.270 5.381 40 0 EKABRN COc1cc2c(cc1C)-c1nc(Nc3ccc(F)cc3)sc1CC2 ZINC000408898958 563908756 /nfs/dbraw/zinc/90/87/56/563908756.db2.gz YQAHRPLCGBUXFZ-UHFFFAOYSA-N 0 0 340.423 5.108 40 0 EKABRN c1ccc2c(c1)cccc2Nc1nc2c(s1)CCc1ccccc1-2 ZINC000408900520 257886443 /nfs/dbraw/zinc/88/64/43/257886443.db2.gz VSXNALZGHQZNEZ-UHFFFAOYSA-N 0 0 328.440 5.227 40 0 EKABRN O=C(/C=C/c1ccccc1)Nc1ccc(CSc2ccccc2)cc1 ZINC000408905999 564007919 /nfs/dbraw/zinc/00/79/19/564007919.db2.gz ACCRFDYJEWXHMH-DTQAZKPQSA-N 0 0 345.467 5.631 40 0 EKABRN Cc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 ZINC000408906016 257886551 /nfs/dbraw/zinc/88/65/51/257886551.db2.gz AFIIRTPCUXLMGI-UHFFFAOYSA-N 0 0 347.483 5.848 40 0 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40 0 EKABRN COc1ccc(/C=C(/C(=O)Nc2ccccc2C)c2ccccc2)cc1 ZINC000408922589 563912089 /nfs/dbraw/zinc/91/20/89/563912089.db2.gz CLTKZBRRRIZGCP-LTGZKZEYSA-N 0 0 343.426 5.183 40 0 EKABRN O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCCCCC1 ZINC000408922726 564008048 /nfs/dbraw/zinc/00/80/48/564008048.db2.gz RIABQPLYANMSAM-KNTRCKAVSA-N 0 0 339.866 5.283 40 0 EKABRN Cc1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 ZINC000408925231 563912470 /nfs/dbraw/zinc/91/24/70/563912470.db2.gz NUMMPBFBBMFJPG-HMMYKYKNSA-N 0 0 347.845 5.828 40 0 EKABRN Cc1ccccc1C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000408925823 564008061 /nfs/dbraw/zinc/00/80/61/564008061.db2.gz QTFJGBUTKPTFQO-UHFFFAOYSA-N 0 0 347.483 5.848 40 0 EKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1 ZINC000408926569 564008038 /nfs/dbraw/zinc/00/80/38/564008038.db2.gz USRACNYXPYWOTH-UHFFFAOYSA-N 0 0 333.456 5.540 40 0 EKABRN O=C(Nc1ccccc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408927346 564008066 /nfs/dbraw/zinc/00/80/66/564008066.db2.gz ZQRQJYLIIFAPTC-XDJHFCHBSA-N 0 0 333.818 5.519 40 0 EKABRN CCCCNC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000408970439 563920037 /nfs/dbraw/zinc/92/00/37/563920037.db2.gz HTYVBRYGBVNKNI-UHFFFAOYSA-N 0 0 336.671 5.391 40 0 EKABRN CCN(CC)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000408972104 563920537 /nfs/dbraw/zinc/92/05/37/563920537.db2.gz RYRBICQXDFOIML-UHFFFAOYSA-N 0 0 336.671 5.344 40 0 EKABRN O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCc2ccccc21 ZINC000408972226 257885020 /nfs/dbraw/zinc/88/50/20/257885020.db2.gz NVGXMGGJLXPKBM-UHFFFAOYSA-N 0 0 348.254 5.411 40 0 EKABRN Cc1cc2nc(SCc3ccc(Cl)c(Cl)c3)[nH]c2cc1C ZINC000408974917 257884848 /nfs/dbraw/zinc/88/48/48/257884848.db2.gz FQONAJFKSVOSSJ-UHFFFAOYSA-N 0 0 337.275 5.779 40 0 EKABRN CC(C)c1ccc(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408975665 564008503 /nfs/dbraw/zinc/00/85/03/564008503.db2.gz BWYFLGYZOZHIJI-RZZJTRJGSA-N 0 0 340.423 5.005 40 0 EKABRN Cc1nc2ccc(NC(=S)NC(C)(C)CC(C)(C)C)cc2s1 ZINC000408975711 564008492 /nfs/dbraw/zinc/00/84/92/564008492.db2.gz CJXZTTMCIPTNCH-UHFFFAOYSA-N 0 0 335.542 5.106 40 0 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/nfs/dbraw/zinc/95/05/68/563950568.db2.gz LPGVCBWIKWAPPK-AQTBWJFISA-N 0 0 349.817 5.507 40 0 EKABRN CCOc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OC ZINC000409117840 257878328 /nfs/dbraw/zinc/87/83/28/257878328.db2.gz OQKRCXHLEUABNF-UHFFFAOYSA-N 0 0 340.250 5.321 40 0 EKABRN CCOc1ccc2ccccc2c1CNc1cc(Cl)ccc1C ZINC000409117898 563950682 /nfs/dbraw/zinc/95/06/82/563950682.db2.gz YAQXQCHPQLWUKC-UHFFFAOYSA-N 0 0 325.839 5.812 40 0 EKABRN Cc1ccc(NCc2cccc(OCc3ccc(F)cc3)c2)c(C)c1 ZINC000409117902 563950691 /nfs/dbraw/zinc/95/06/91/563950691.db2.gz PLOKDDAHPLCQJM-UHFFFAOYSA-N 0 0 335.422 5.634 40 0 EKABRN Cc1ccc(C)c(NCc2ccccc2OCc2ccc(F)cc2)c1 ZINC000409117965 564010260 /nfs/dbraw/zinc/01/02/60/564010260.db2.gz YICPSBXYRAVKHE-UHFFFAOYSA-N 0 0 335.422 5.634 40 0 EKABRN CCCOc1ccc(CNc2cccc(C)c2)cc1Br ZINC000409118046 563950785 /nfs/dbraw/zinc/95/07/85/563950785.db2.gz YOXFKJSHVWJNJD-UHFFFAOYSA-N 0 0 334.257 5.158 40 0 EKABRN CCc1ccc(NCc2ccccc2OCc2ccc(F)cc2)cc1 ZINC000409118076 564010259 /nfs/dbraw/zinc/01/02/59/564010259.db2.gz OTFDOKQPABWCNU-UHFFFAOYSA-N 0 0 335.422 5.579 40 0 EKABRN Cc1ccccc1NCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000409118078 564010243 /nfs/dbraw/zinc/01/02/43/564010243.db2.gz PXBMDQKPGAUPQT-UHFFFAOYSA-N 0 0 337.850 5.840 40 0 EKABRN CCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000409118088 257878325 /nfs/dbraw/zinc/87/83/25/257878325.db2.gz YVUAHTCMACWJHD-UHFFFAOYSA-N 0 0 349.430 5.498 40 0 EKABRN CCOc1cc(CNc2ccccc2CC)cc(Cl)c1OCC ZINC000409118096 564010241 /nfs/dbraw/zinc/01/02/41/564010241.db2.gz SJDDTNYILYJNNA-UHFFFAOYSA-N 0 0 333.859 5.312 40 0 EKABRN CCCOc1c(Cl)cc(CNc2cc(C)ccc2C)cc1Cl ZINC000409118256 564010269 /nfs/dbraw/zinc/01/02/69/564010269.db2.gz OPGKKLVKLRWFRP-UHFFFAOYSA-N 0 0 338.278 6.011 40 0 EKABRN COc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccccc1 ZINC000409118337 563951286 /nfs/dbraw/zinc/95/12/86/563951286.db2.gz PZWBAEVZOLYILK-UHFFFAOYSA-N 0 0 347.458 5.503 40 0 EKABRN CCCOc1c(Cl)cc(CNc2cc(C)ccc2C)cc1OCC ZINC000409118380 257878034 /nfs/dbraw/zinc/87/80/34/257878034.db2.gz PPYUNHMXHXKVRB-UHFFFAOYSA-N 0 0 347.886 5.756 40 0 EKABRN COc1c(Cl)cc(Cl)cc1CNc1cccc(Cl)c1C ZINC000409118381 564010274 /nfs/dbraw/zinc/01/02/74/564010274.db2.gz PQIVLMGCDDIBGR-UHFFFAOYSA-N 0 0 330.642 5.576 40 0 EKABRN Fc1cccc(COc2ccc(CNc3ccccc3)cc2Cl)c1 ZINC000409118385 563951239 /nfs/dbraw/zinc/95/12/39/563951239.db2.gz PUDZQJZXKIIMCB-UHFFFAOYSA-N 0 0 341.813 5.670 40 0 EKABRN CCOc1c(Cl)cc(CNc2cc(Cl)ccc2C)cc1OC ZINC000409118406 564010245 /nfs/dbraw/zinc/01/02/45/564010245.db2.gz ZKTFFOLRYNAMIP-UHFFFAOYSA-N 0 0 340.250 5.321 40 0 EKABRN CCc1ccc(NCc2cccc(OCc3ccccc3F)c2)cc1 ZINC000409118480 564010265 /nfs/dbraw/zinc/01/02/65/564010265.db2.gz NLWJUVBMLNKLCP-UHFFFAOYSA-N 0 0 335.422 5.579 40 0 EKABRN CCc1ccccc1NCc1ccc(OCc2ccc(C)cc2)cc1 ZINC000409118635 563951006 /nfs/dbraw/zinc/95/10/06/563951006.db2.gz OUJRPRUMXVWBTK-UHFFFAOYSA-N 0 0 331.459 5.749 40 0 EKABRN CCOc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCC ZINC000409118704 563951271 /nfs/dbraw/zinc/95/12/71/563951271.db2.gz PTZRAHDFSFCVFY-UHFFFAOYSA-N 0 0 333.859 5.366 40 0 EKABRN COc1ccc(NCc2ccccc2OCc2cccc(F)c2)cc1 ZINC000409118716 563951244 /nfs/dbraw/zinc/95/12/44/563951244.db2.gz QQTXTAXYVJUTOM-UHFFFAOYSA-N 0 0 337.394 5.025 40 0 EKABRN CCCOc1c(Cl)cc(Cl)cc1CNc1ccccc1CC ZINC000409118747 564010296 /nfs/dbraw/zinc/01/02/96/564010296.db2.gz NWLAIJGYHZUJME-UHFFFAOYSA-N 0 0 338.278 5.957 40 0 EKABRN Cc1ccc(C)c(NCc2ccccc2OCc2cccc(F)c2)c1 ZINC000409118781 564010299 /nfs/dbraw/zinc/01/02/99/564010299.db2.gz OEOJTNXJNVTCDK-UHFFFAOYSA-N 0 0 335.422 5.634 40 0 EKABRN COc1c(Cl)cc(CNc2cccc(Cl)c2C)cc1Cl ZINC000409118786 563951359 /nfs/dbraw/zinc/95/13/59/563951359.db2.gz URUPFKQOIXTHCY-UHFFFAOYSA-N 0 0 330.642 5.576 40 0 EKABRN CCOc1cc(C)c(/C=C2/c3ccccc3N(CC)C2=O)cc1C(C)C ZINC000409118810 563951402 /nfs/dbraw/zinc/95/14/02/563951402.db2.gz QFUKQSUWDNYMHO-ZHZULCJRSA-N 0 0 349.474 5.424 40 0 EKABRN CCOc1ccc(NCc2ccc(OCc3ccc(C)cc3)cc2)cc1 ZINC000409118825 257878150 /nfs/dbraw/zinc/87/81/50/257878150.db2.gz QGMXGINXIFPCFH-UHFFFAOYSA-N 0 0 347.458 5.585 40 0 EKABRN CCOc1c(Cl)cc(Cl)cc1CNc1cccc(Cl)c1C ZINC000409118874 563951267 /nfs/dbraw/zinc/95/12/67/563951267.db2.gz OTCJPRHXPKZKQQ-UHFFFAOYSA-N 0 0 344.669 5.966 40 0 EKABRN CCOc1ccc(NCc2cc(Cl)c(OC)c(Cl)c2)cc1 ZINC000409119269 563951605 /nfs/dbraw/zinc/95/16/05/563951605.db2.gz SHZKDMKYXLCMRA-UHFFFAOYSA-N 0 0 326.223 5.013 40 0 EKABRN COc1cc(CNc2ccccc2)ccc1OCc1cccc(F)c1 ZINC000409119275 563951600 /nfs/dbraw/zinc/95/16/00/563951600.db2.gz RRXUWLBKWQSVKR-UHFFFAOYSA-N 0 0 337.394 5.025 40 0 EKABRN CCOc1ccc(CNc2ccccc2CC)cc1Br ZINC000409119374 563951594 /nfs/dbraw/zinc/95/15/94/563951594.db2.gz SIQHOCOMROPEQX-UHFFFAOYSA-N 0 0 334.257 5.022 40 0 EKABRN CCCOc1c(Cl)cc(CNc2ccc(OCC)cc2)cc1OC ZINC000409119420 564010292 /nfs/dbraw/zinc/01/02/92/564010292.db2.gz WNYYUMBVDWYLJS-UHFFFAOYSA-N 0 0 349.858 5.148 40 0 EKABRN Cc1ccc(NCc2ccccc2OCc2cccc(F)c2)c(C)c1 ZINC000409119485 563951686 /nfs/dbraw/zinc/95/16/86/563951686.db2.gz PKUWTBASBACIME-UHFFFAOYSA-N 0 0 335.422 5.634 40 0 EKABRN CCCOc1c(Cl)cc(CNc2ccc(C)cc2C)cc1OCC ZINC000409119508 563951751 /nfs/dbraw/zinc/95/17/51/563951751.db2.gz PWLAWDPVRMYVPB-UHFFFAOYSA-N 0 0 347.886 5.756 40 0 EKABRN Cc1ccc(NCc2ccccc2OCc2ccccc2F)c(C)c1 ZINC000409119518 257878388 /nfs/dbraw/zinc/87/83/88/257878388.db2.gz UHXNWEJUQNZKIT-UHFFFAOYSA-N 0 0 335.422 5.634 40 0 EKABRN Cc1ccccc1NCc1ccccc1OCc1cccc(Cl)c1 ZINC000409119886 563951987 /nfs/dbraw/zinc/95/19/87/563951987.db2.gz QWZFBCNDEQXYPA-UHFFFAOYSA-N 0 0 337.850 5.840 40 0 EKABRN CCOc1ccc(Br)cc1CNc1cccc(C)c1C ZINC000409119949 563952402 /nfs/dbraw/zinc/95/24/02/563952402.db2.gz RFYUKEGDCKXROB-UHFFFAOYSA-N 0 0 334.257 5.077 40 0 EKABRN CCc1ccc(NCc2cccc(OCc3cccc(F)c3)c2)cc1 ZINC000409119985 564010281 /nfs/dbraw/zinc/01/02/81/564010281.db2.gz RROJIIIDNTVBJR-UHFFFAOYSA-N 0 0 335.422 5.579 40 0 EKABRN CCc1ccccc1NCc1cccc(OCc2cccc(F)c2)c1 ZINC000409120305 564010297 /nfs/dbraw/zinc/01/02/97/564010297.db2.gz TVFTYIDAAZSREC-UHFFFAOYSA-N 0 0 335.422 5.579 40 0 EKABRN Cc1ccc(C)c(NCc2ccccc2OCc2ccccc2F)c1 ZINC000409120309 563953187 /nfs/dbraw/zinc/95/31/87/563953187.db2.gz TVNXIJWKJJZUQW-UHFFFAOYSA-N 0 0 335.422 5.634 40 0 EKABRN CCOc1ccc(NCc2ccccc2OCc2ccc(C)cc2)cc1 ZINC000409120438 563953213 /nfs/dbraw/zinc/95/32/13/563953213.db2.gz ZLZJMSGBKFGNDT-UHFFFAOYSA-N 0 0 347.458 5.585 40 0 EKABRN CCCOc1c(Cl)cc(Cl)cc1CNc1cccc(C)c1C ZINC000409120450 563953203 /nfs/dbraw/zinc/95/32/03/563953203.db2.gz VTMGYVLRAJFPFH-UHFFFAOYSA-N 0 0 338.278 6.011 40 0 EKABRN CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCC ZINC000409120758 257878362 /nfs/dbraw/zinc/87/83/62/257878362.db2.gz SRGFNTHVMWYLKA-UHFFFAOYSA-N 0 0 333.859 5.366 40 0 EKABRN Cc1ccc(NCc2ccc(OCc3ccc(F)cc3)cc2)c(C)c1 ZINC000409120761 564010308 /nfs/dbraw/zinc/01/03/08/564010308.db2.gz SZUZNKMZZRFXGS-UHFFFAOYSA-N 0 0 335.422 5.634 40 0 EKABRN Cc1ccccc1NCc1ccc(OCc2ccccc2Cl)cc1 ZINC000409120769 564010311 /nfs/dbraw/zinc/01/03/11/564010311.db2.gz TWGAXQDSCYMASI-UHFFFAOYSA-N 0 0 337.850 5.840 40 0 EKABRN CCCOc1ccc(CNc2ccccc2CC)cc1Br ZINC000409120784 563953300 /nfs/dbraw/zinc/95/33/00/563953300.db2.gz UAGAEVUXHPTJNX-UHFFFAOYSA-N 0 0 348.284 5.412 40 0 EKABRN CCCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)cc1C ZINC000409120915 563953209 /nfs/dbraw/zinc/95/32/09/563953209.db2.gz UNIHQBSVBPIDRR-UHFFFAOYSA-N 0 0 338.278 6.011 40 0 EKABRN Cc1ccccc1NCc1cccc(OCc2cccc(Cl)c2)c1 ZINC000409120932 257878146 /nfs/dbraw/zinc/87/81/46/257878146.db2.gz XFHDVMUFFOPDOV-UHFFFAOYSA-N 0 0 337.850 5.840 40 0 EKABRN COc1ccc(NCc2ccc(OCc3ccccc3F)cc2)cc1 ZINC000409120943 257878075 /nfs/dbraw/zinc/87/80/75/257878075.db2.gz WZBUOGOSTWHBRB-UHFFFAOYSA-N 0 0 337.394 5.025 40 0 EKABRN Cc1cccc(NCc2ccc(OCc3ccccc3F)cc2)c1C ZINC000409120999 257878073 /nfs/dbraw/zinc/87/80/73/257878073.db2.gz VCHOQHLZZLACRA-UHFFFAOYSA-N 0 0 335.422 5.634 40 0 EKABRN CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCC ZINC000409121128 257878312 /nfs/dbraw/zinc/87/83/12/257878312.db2.gz WGPRACDRUYEATI-UHFFFAOYSA-N 0 0 333.859 5.312 40 0 EKABRN Cc1cccc(NCc2ccccc2OCc2cccc(Cl)c2)c1 ZINC000409121171 564010330 /nfs/dbraw/zinc/01/03/30/564010330.db2.gz WUJLCGKQXPRZHE-UHFFFAOYSA-N 0 0 337.850 5.840 40 0 EKABRN CCc1ccccc1NCc1ccccc1OCc1ccc(C)cc1 ZINC000409121291 563953774 /nfs/dbraw/zinc/95/37/74/563953774.db2.gz YZELMUVMVWZPHA-UHFFFAOYSA-N 0 0 331.459 5.749 40 0 EKABRN CCOc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1O ZINC000409121300 563953652 /nfs/dbraw/zinc/95/36/52/563953652.db2.gz XWCPDMFWYICMLE-UHFFFAOYSA-N 0 0 326.223 5.018 40 0 EKABRN Cc1c(Cl)cccc1NCc1ccccc1OCc1ccccc1 ZINC000409121338 563953654 /nfs/dbraw/zinc/95/36/54/563953654.db2.gz WGPDVMDKPGCUDN-UHFFFAOYSA-N 0 0 337.850 5.840 40 0 EKABRN Cc1cccc(COc2ccccc2/C=C2\C(=O)Nc3ccccc32)c1 ZINC000409121369 564010328 /nfs/dbraw/zinc/01/03/28/564010328.db2.gz YCTORFVPXBCKNX-ZHZULCJRSA-N 0 0 341.410 5.067 40 0 EKABRN Cc1ccccc1NCc1ccccc1OCc1ccc(Cl)cc1 ZINC000409121408 563953680 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/nfs/dbraw/zinc/87/78/16/257877816.db2.gz CCCRDLHZULGQCM-UHFFFAOYSA-N 0 0 335.422 5.579 40 0 EKABRN CCOc1ccc(NCc2cc(Cl)c(OCC)c(Cl)c2)cc1 ZINC000409127099 257877604 /nfs/dbraw/zinc/87/76/04/257877604.db2.gz CTNWHBUDRGYQSO-UHFFFAOYSA-N 0 0 340.250 5.403 40 0 EKABRN CCCCN1C(=O)S/C(=C\c2cc(C)n(C3CCCC3)c2C)C1=O ZINC000409127337 563961421 /nfs/dbraw/zinc/96/14/21/563961421.db2.gz JCFGQEPXSWLNLY-ATVHPVEESA-N 0 0 346.496 5.056 40 0 EKABRN CCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)c2ccccc21 ZINC000409129341 564010434 /nfs/dbraw/zinc/01/04/34/564010434.db2.gz GIQWPJJKXMJXRO-GDNBJRDFSA-N 0 0 332.230 5.291 40 0 EKABRN Cc1cc(C)c(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)c1 ZINC000409129462 564010436 /nfs/dbraw/zinc/01/04/36/564010436.db2.gz GFTZGFDAEPGAOQ-WOJGMQOQSA-N 0 0 343.492 5.228 40 0 EKABRN CCCOc1c(Cl)cc(CNc2cccc(C)c2C)cc1OCC ZINC000409131531 563962262 /nfs/dbraw/zinc/96/22/62/563962262.db2.gz JQSDYVRGLMVNPO-UHFFFAOYSA-N 0 0 347.886 5.756 40 0 EKABRN O=C1S/C(=C/c2ccc(Cl)s2)C(=O)N1CC1CCCCC1 ZINC000409131780 563962236 /nfs/dbraw/zinc/96/22/36/563962236.db2.gz JUIJQUAOJNPCQD-XYOKQWHBSA-N 0 0 341.885 5.018 40 0 EKABRN CCc1cccc(C)c1NC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000409133271 563962652 /nfs/dbraw/zinc/96/26/52/563962652.db2.gz PRMVDAWMFTTXIE-HMMYKYKNSA-N 0 0 331.415 5.330 40 0 EKABRN Cc1ccc(NCc2cccc(OCc3cccc(F)c3)c2)c(C)c1 ZINC000409134291 257877651 /nfs/dbraw/zinc/87/76/51/257877651.db2.gz OOPOFTXHJCFXIE-UHFFFAOYSA-N 0 0 335.422 5.634 40 0 EKABRN Cc1cccc(NCc2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000409135544 564010449 /nfs/dbraw/zinc/01/04/49/564010449.db2.gz QYMRQVQHJVIAMG-UHFFFAOYSA-N 0 0 337.850 5.840 40 0 EKABRN COc1ccc(NCc2cccc(OCc3cccc(F)c3)c2)cc1 ZINC000409136433 564010481 /nfs/dbraw/zinc/01/04/81/564010481.db2.gz UPEGJLWMWMBXBS-UHFFFAOYSA-N 0 0 337.394 5.025 40 0 EKABRN CSc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 ZINC000409138271 257851367 /nfs/dbraw/zinc/85/13/67/257851367.db2.gz ZHQSSRQBGFRTMM-LFIBNONCSA-N 0 0 347.505 5.025 40 0 EKABRN CC(C)c1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000409140902 564010501 /nfs/dbraw/zinc/01/05/01/564010501.db2.gz GTWDYBLGHFYISI-HMMYKYKNSA-N 0 0 331.415 5.582 40 0 EKABRN CC(C)c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 ZINC000409148513 563963891 /nfs/dbraw/zinc/96/38/91/563963891.db2.gz ZOFVMDHOWCFAFZ-LDADJPATSA-N 0 0 343.492 5.427 40 0 EKABRN Fc1ccc(COc2ccc(CNc3ccc(Cl)cc3)cc2)cc1 ZINC000409172377 563967516 /nfs/dbraw/zinc/96/75/16/563967516.db2.gz GEMLRTJMMRJWIQ-UHFFFAOYSA-N 0 0 341.813 5.670 40 0 EKABRN Cc1ccc(Oc2ccc(-c3noc(-c4ccccc4)n3)cc2)cc1C ZINC000409172468 564010745 /nfs/dbraw/zinc/01/07/45/564010745.db2.gz ISHMPRUTNVSCMF-UHFFFAOYSA-N 0 0 342.398 5.813 40 0 EKABRN Cc1cc(NC(=O)CSc2ccc3ccccc3c2)ccc1Cl ZINC000409175736 563968250 /nfs/dbraw/zinc/96/82/50/563968250.db2.gz BIWQEERDGKDONF-UHFFFAOYSA-N 0 0 341.863 5.532 40 0 EKABRN Cc1ccc(OC(=O)c2ccc(COc3cccc(C)c3)cc2)cc1 ZINC000409175959 257875672 /nfs/dbraw/zinc/87/56/72/257875672.db2.gz FZRUMHSJVBUGQH-UHFFFAOYSA-N 0 0 332.399 5.102 40 0 EKABRN Cc1ccc(NC(=O)c2ccc(COc3cccc(C)c3)cc2)cc1 ZINC000409176903 563968592 /nfs/dbraw/zinc/96/85/92/563968592.db2.gz AMNSVIFAAJUXNQ-UHFFFAOYSA-N 0 0 331.415 5.135 40 0 EKABRN Cc1cccc(OCc2ccc(C(=O)Oc3ccc(C)c(C)c3)cc2)c1 ZINC000409176966 564010761 /nfs/dbraw/zinc/01/07/61/564010761.db2.gz CPWIBYWJWPXJGF-UHFFFAOYSA-N 0 0 346.426 5.410 40 0 EKABRN Cc1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1Cl ZINC000409177151 564010773 /nfs/dbraw/zinc/01/07/73/564010773.db2.gz CCPVUAUCMKZSCR-UHFFFAOYSA-N 0 0 326.248 5.033 40 0 EKABRN Cc1cc(Cl)ccc1NC(=O)CSc1ccc2ccccc2c1 ZINC000409178127 257875934 /nfs/dbraw/zinc/87/59/34/257875934.db2.gz ITNSWKDWJARJER-UHFFFAOYSA-N 0 0 341.863 5.532 40 0 EKABRN Fc1ccc(COc2ccc(CNc3ccccc3Cl)cc2)cc1 ZINC000409179260 257875931 /nfs/dbraw/zinc/87/59/31/257875931.db2.gz OFFZKXYTXSUJID-UHFFFAOYSA-N 0 0 341.813 5.670 40 0 EKABRN Fc1cccc(COc2cccc(CNc3ccccc3Cl)c2)c1 ZINC000409179278 564010783 /nfs/dbraw/zinc/01/07/83/564010783.db2.gz QUMZCQHWRNTAOU-UHFFFAOYSA-N 0 0 341.813 5.670 40 0 EKABRN Cc1cccc(OCc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)c1 ZINC000409179344 564010800 /nfs/dbraw/zinc/01/08/00/564010800.db2.gz MFANCAVFRAFVEJ-UHFFFAOYSA-N 0 0 345.442 5.443 40 0 EKABRN Cc1ccc(F)cc1NC(=O)CSc1cccc2ccccc21 ZINC000409179597 257875939 /nfs/dbraw/zinc/87/59/39/257875939.db2.gz SRRDLRRKJQSNKG-UHFFFAOYSA-N 0 0 325.408 5.018 40 0 EKABRN Fc1cccc(COc2cccc(CNc3ccc(Cl)cc3)c2)c1 ZINC000409179990 563968776 /nfs/dbraw/zinc/96/87/76/563968776.db2.gz SNATZXKBQOPITM-UHFFFAOYSA-N 0 0 341.813 5.670 40 0 EKABRN Cc1cc(Cl)ccc1NC(=O)CSc1cccc2ccccc21 ZINC000409180252 564010842 /nfs/dbraw/zinc/01/08/42/564010842.db2.gz XIFZIOOPHYJZIT-UHFFFAOYSA-N 0 0 341.863 5.532 40 0 EKABRN Cc1c(F)cccc1NC(=O)CSc1ccc2ccccc2c1 ZINC000409180344 564010840 /nfs/dbraw/zinc/01/08/40/564010840.db2.gz WOMMCOHKKASNTM-UHFFFAOYSA-N 0 0 325.408 5.018 40 0 EKABRN CC(C)c1ccccc1NC(=O)CSc1cccc2ccccc21 ZINC000409180640 564010823 /nfs/dbraw/zinc/01/08/23/564010823.db2.gz YMZGWFMBGPENDL-UHFFFAOYSA-N 0 0 335.472 5.694 40 0 EKABRN Cc1cccc(OCc2ccc(C(=O)Nc3c(C)cccc3C)cc2)c1 ZINC000409180777 563970293 /nfs/dbraw/zinc/97/02/93/563970293.db2.gz RKJXAQFPJRQKJN-UHFFFAOYSA-N 0 0 345.442 5.443 40 0 EKABRN Fc1ccccc1COc1ccccc1CNc1ccccc1Cl ZINC000409180942 564010850 /nfs/dbraw/zinc/01/08/50/564010850.db2.gz ZKLCPFUPDNTSQH-UHFFFAOYSA-N 0 0 341.813 5.670 40 0 EKABRN Cc1ccc(COc2ccccc2CNc2ccccc2Cl)cc1 ZINC000409181445 257876066 /nfs/dbraw/zinc/87/60/66/257876066.db2.gz AHTAZUSDLLNQBI-UHFFFAOYSA-N 0 0 337.850 5.840 40 0 EKABRN Fc1cccc(COc2ccc(CNc3ccccc3Cl)cc2)c1 ZINC000409181446 257875968 /nfs/dbraw/zinc/87/59/68/257875968.db2.gz AIAOLLUMCMSFLH-UHFFFAOYSA-N 0 0 341.813 5.670 40 0 EKABRN Cc1c(F)cccc1NC(=O)CSc1cccc2ccccc21 ZINC000409181912 564010858 /nfs/dbraw/zinc/01/08/58/564010858.db2.gz GPPSFCSTYDHRMG-UHFFFAOYSA-N 0 0 325.408 5.018 40 0 EKABRN CCOc1ccc(CNc2ccccc2Cl)cc1Br ZINC000409182321 257875688 /nfs/dbraw/zinc/87/56/88/257875688.db2.gz KKWRUHIGCVNGSE-UHFFFAOYSA-N 0 0 340.648 5.113 40 0 EKABRN Fc1ccc(COc2ccccc2CNc2ccccc2Cl)cc1 ZINC000409182376 563970432 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ZINC000409188890 563970867 /nfs/dbraw/zinc/97/08/67/563970867.db2.gz BRDKSAMJABVXEF-UHFFFAOYSA-N 0 0 325.820 6.185 40 0 EKABRN Clc1ccc(Sc2ccc(-c3nc4ccccc4s3)o2)cc1 ZINC000409189238 564010895 /nfs/dbraw/zinc/01/08/95/564010895.db2.gz NNIGVZCSOPFQCY-UHFFFAOYSA-N 0 0 343.860 6.361 40 0 EKABRN Cc1nc2ccc(C(=O)N(C)c3ccc4ccccc4c3)cc2s1 ZINC000409189657 257875393 /nfs/dbraw/zinc/87/53/93/257875393.db2.gz MJQNODSCRAIZOH-UHFFFAOYSA-N 0 0 332.428 5.035 40 0 EKABRN Fc1ccccc1COc1ccccc1-c1nc2ccccc2s1 ZINC000409189666 563970852 /nfs/dbraw/zinc/97/08/52/563970852.db2.gz MPFUPXBGMJEEST-UHFFFAOYSA-N 0 0 335.403 5.681 40 0 EKABRN Fc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000409189689 564010979 /nfs/dbraw/zinc/01/09/79/564010979.db2.gz NCYHZCWOGUJPRQ-OAUYIBNBSA-N 0 0 338.209 5.377 40 0 EKABRN Clc1cccc(-c2ccc(-c3nc4ccccc4s3)o2)c1Cl ZINC000409190333 257875377 /nfs/dbraw/zinc/87/53/77/257875377.db2.gz XAVCCCLYHFJOAH-UHFFFAOYSA-N 0 0 346.238 6.530 40 0 EKABRN 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CCCCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC000409218051 563971260 /nfs/dbraw/zinc/97/12/60/563971260.db2.gz SIMDJAJWILQECN-JYRVWZFOSA-N 0 0 344.263 5.220 40 0 EKABRN CCCN1C(=O)S/C(=C/c2cn([C@@H](C)CC)c3ccccc23)C1=O ZINC000409232855 563972901 /nfs/dbraw/zinc/97/29/01/563972901.db2.gz BWGFEQCXTBZYFZ-HNEYUBDGSA-N 0 0 342.464 5.059 40 0 EKABRN CCCN1C(=O)S/C(=C/c2cn([C@H](C)CC)c3ccccc23)C1=O ZINC000409232856 564011270 /nfs/dbraw/zinc/01/12/70/564011270.db2.gz BWGFEQCXTBZYFZ-VVBXCHJUSA-N 0 0 342.464 5.059 40 0 EKABRN O=C(Nc1c(F)cccc1F)/C(=C/c1ccccc1)c1ccccc1 ZINC000409259894 563973312 /nfs/dbraw/zinc/97/33/12/563973312.db2.gz HFXURNPQVUTBOY-SAPNQHFASA-N 0 0 335.353 5.144 40 0 EKABRN Cc1cccc(C(C)C)c1NC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000409270069 564011435 /nfs/dbraw/zinc/01/14/35/564011435.db2.gz BVFZCPFYZQYGMZ-RCCKNPSSSA-N 0 0 345.442 5.891 40 0 EKABRN O=C1S/C(=C\c2cccc3ccccc23)C(=O)N1c1ccccc1 ZINC000409314032 563974011 /nfs/dbraw/zinc/97/40/11/563974011.db2.gz QEBIQCMFLWZYSE-AQTBWJFISA-N 0 0 331.396 5.081 40 0 EKABRN CC1(C)CC(=O)[C@@H]2C(=Nc3ccccc3S[C@H]2c2ccccc2)C1 ZINC000409337151 257872925 /nfs/dbraw/zinc/87/29/25/257872925.db2.gz YEEUOUBZGDGPFR-PMACEKPBSA-N 0 0 335.472 5.611 40 0 EKABRN CC1(C)CC(=O)[C@H]2C(=Nc3ccccc3S[C@H]2c2ccccc2)C1 ZINC000409337152 257872788 /nfs/dbraw/zinc/87/27/88/257872788.db2.gz YEEUOUBZGDGPFR-UXHICEINSA-N 0 0 335.472 5.611 40 0 EKABRN CC1(C)CC(=O)[C@@H]2C(=Nc3ccccc3S[C@@H]2c2ccccc2)C1 ZINC000409337153 563974373 /nfs/dbraw/zinc/97/43/73/563974373.db2.gz YEEUOUBZGDGPFR-VQTJNVASSA-N 0 0 335.472 5.611 40 0 EKABRN CC1(C)CC(=O)[C@H]2C(=Nc3ccccc3S[C@@H]2c2ccccc2)C1 ZINC000409337154 564011785 /nfs/dbraw/zinc/01/17/85/564011785.db2.gz YEEUOUBZGDGPFR-WOJBJXKFSA-N 0 0 335.472 5.611 40 0 EKABRN c1ccc(-c2nn(-c3ccccc3)c3c2C=Nc2ccccc2N3)cc1 ZINC000409376039 257871944 /nfs/dbraw/zinc/87/19/44/257871944.db2.gz SOPYMTPOGCVAIZ-UHFFFAOYSA-N 0 0 336.398 5.347 40 0 EKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000409380275 564011998 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/nfs/dbraw/zinc/08/07/76/564080776.db2.gz MRIXRBZVTCGSJA-UHFFFAOYSA-N 0 0 342.639 5.268 40 0 EKABRN CCN(Cc1cccc(Br)c1)c1cc(F)cc(Cl)c1 ZINC000585090216 563971170 /nfs/dbraw/zinc/97/11/70/563971170.db2.gz NJOJWKVJPCJDDF-UHFFFAOYSA-N 0 0 342.639 5.268 40 0 EKABRN O=c1cc(O)c(-c2cccc(-c3cccc(Cl)c3)c2)c(Cl)[nH]1 ZINC000585090218 564080792 /nfs/dbraw/zinc/08/07/92/564080792.db2.gz NPVPCIFFGOLAAS-UHFFFAOYSA-N 0 0 332.186 5.134 40 0 EKABRN CN(Cc1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000585090219 564080804 /nfs/dbraw/zinc/08/08/04/564080804.db2.gz NXGDESDUETUROA-UHFFFAOYSA-N 0 0 345.067 5.392 40 0 EKABRN CN(Cc1cccc(Br)c1)c1cc(Cl)cc(Cl)c1 ZINC000585090223 564080788 /nfs/dbraw/zinc/08/07/88/564080788.db2.gz OETSEVBZKSAUGH-UHFFFAOYSA-N 0 0 345.067 5.392 40 0 EKABRN O=c1cc(O)c(-c2cccc(-c3ccc(Cl)cc3)c2)c(Cl)[nH]1 ZINC000585090229 564080777 /nfs/dbraw/zinc/08/07/77/564080777.db2.gz PBEHBZVCHQIFFN-UHFFFAOYSA-N 0 0 332.186 5.134 40 0 EKABRN O=Cc1ccc(-c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000585090255 564080796 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EKABRN CC[C@H]1CC[C@H](c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)CC1 ZINC000604940886 563962223 /nfs/dbraw/zinc/96/22/23/563962223.db2.gz AXHIYBDTRMNUFJ-JOCQHMNTSA-N 0 0 336.372 6.594 40 0 EKABRN CC(C)c1c(=O)c2cc(OCc3ccccc3)ccc2[nH]c1C1CC1 ZINC000685938000 564133321 /nfs/dbraw/zinc/13/33/21/564133321.db2.gz ALZOYRCXZLJNIW-UHFFFAOYSA-N 0 0 333.431 5.108 40 0 EKABRN CC(C)c1c(=O)c2cc(SC(F)(F)F)ccc2[nH]c1C1CC1 ZINC000685938008 564133297 /nfs/dbraw/zinc/13/32/97/564133297.db2.gz RVMYGGLJHVRMGS-UHFFFAOYSA-N 0 0 327.371 5.141 40 0 EKABRN CC(C)c1c(=O)c2cccc(Br)c2[nH]c1-c1ccccc1 ZINC000685938085 564133349 /nfs/dbraw/zinc/13/33/49/564133349.db2.gz BTXCQTAMMDFVNE-UHFFFAOYSA-N 0 0 342.236 5.081 40 0 EKABRN CC(C)c1c(=O)c2ccc(Br)cc2[nH]c1-c1ccccc1 ZINC000685938141 564133355 /nfs/dbraw/zinc/13/33/55/564133355.db2.gz DJCGSXAPTVXTCE-UHFFFAOYSA-N 0 0 342.236 5.081 40 0 EKABRN CC(C)c1c(=O)c2c(cccc2C(F)(F)F)[nH]c1-c1ccccc1 ZINC000685938359 564133382 /nfs/dbraw/zinc/13/33/82/564133382.db2.gz 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